data_17850 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17850 _Entry.PDB_ID 2LHI 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 17850 _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 1 1 GLY N N 1 109.911 109.911 107.214 2.697 17850 2 1 1 . 1 1 1 1 GLY CA C 1 45.436 45.436 45.855 -0.418 17850 3 1 1 . 1 1 1 1 GLY H H 1 8.410 8.410 8.137 0.273 17850 4 1 1 . 1 1 2 2 SER N N 2 115.579 115.579 115.660 -0.081 17850 5 1 1 . 1 1 2 2 SER HA H 2 4.474 4.474 4.537 -0.063 17850 6 1 1 . 1 1 2 2 SER C C 2 174.661 174.661 174.046 0.615 17850 7 1 1 . 1 1 2 2 SER CA C 2 58.374 58.374 57.672 0.702 17850 8 1 1 . 1 1 2 2 SER CB C 2 63.986 63.986 64.926 -0.940 17850 9 1 1 . 1 1 2 2 SER H H 2 8.207 8.207 7.887 0.320 17850 10 1 1 . 1 1 3 3 SER N N 3 117.154 117.154 119.863 -2.709 17850 11 1 1 . 1 1 3 3 SER HA H 3 4.439 4.439 4.663 -0.224 17850 12 1 1 . 1 1 3 3 SER C C 3 174.122 174.122 172.577 1.545 17850 13 1 1 . 1 1 3 3 SER CA C 3 58.695 58.695 58.662 0.033 17850 14 1 1 . 1 1 3 3 SER CB C 3 63.865 63.865 63.831 0.034 17850 15 1 1 . 1 1 3 3 SER H H 3 8.337 8.337 8.532 -0.195 17850 16 1 1 . 1 1 4 4 ASN N N 4 120.145 120.145 118.444 1.701 17850 17 1 1 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.207 -0.481 17850 18 1 1 . 1 1 4 4 ASN C C 4 174.741 174.741 174.908 -0.167 17850 19 1 1 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.680 1.646 17850 20 1 1 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.837 -2.035 17850 21 1 1 . 1 1 4 4 ASN H H 4 8.432 8.432 7.770 0.662 17850 22 1 1 . 1 1 5 5 LEU N N 5 121.341 121.341 118.045 3.296 17850 23 1 1 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.591 0.088 17850 24 1 1 . 1 1 5 5 LEU C C 5 177.641 177.641 177.700 -0.059 17850 25 1 1 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.976 1.489 17850 26 1 1 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.487 -0.774 17850 27 1 1 . 1 1 5 5 LEU H H 5 7.966 7.966 8.081 -0.115 17850 28 1 1 . 1 1 6 6 THR N N 6 113.168 113.168 115.677 -2.509 17850 29 1 1 . 1 1 6 6 THR HA H 6 4.470 4.470 3.945 0.525 17850 30 1 1 . 1 1 6 6 THR C C 6 175.390 175.390 176.244 -0.854 17850 31 1 1 . 1 1 6 6 THR CA C 6 60.543 60.543 65.384 -4.841 17850 32 1 1 . 1 1 6 6 THR CB C 6 71.190 71.190 68.335 2.856 17850 33 1 1 . 1 1 6 6 THR H H 6 8.716 8.716 8.823 -0.107 17850 34 1 1 . 1 1 7 7 GLU N N 7 120.480 120.480 119.575 0.905 17850 35 1 1 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.175 -0.190 17850 36 1 1 . 1 1 7 7 GLU C C 7 179.475 179.475 179.596 -0.121 17850 37 1 1 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.550 1.523 17850 38 1 1 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.260 0.033 17850 39 1 1 . 1 1 7 7 GLU H H 7 8.997 8.997 7.911 1.086 17850 40 1 1 . 1 1 8 8 GLU N N 8 119.766 119.766 119.780 -0.014 17850 41 1 1 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.093 -0.006 17850 42 1 1 . 1 1 8 8 GLU C C 8 178.641 178.641 179.133 -0.492 17850 43 1 1 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.956 0.879 17850 44 1 1 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.465 -0.067 17850 45 1 1 . 1 1 8 8 GLU H H 8 8.603 8.603 7.721 0.882 17850 46 1 1 . 1 1 9 9 GLN N N 9 119.234 119.234 116.407 2.827 17850 47 1 1 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.383 -0.454 17850 48 1 1 . 1 1 9 9 GLN C C 9 178.969 178.969 177.841 1.128 17850 49 1 1 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.125 2.593 17850 50 1 1 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.630 2.952 17850 51 1 1 . 1 1 9 9 GLN H H 9 7.730 7.730 8.150 -0.420 17850 52 1 1 . 1 1 10 10 ILE N N 10 119.661 119.661 118.370 1.291 17850 53 1 1 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.230 -0.467 17850 54 1 1 . 1 1 10 10 ILE C C 10 178.040 178.040 177.615 0.425 17850 55 1 1 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.398 2.823 17850 56 1 1 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.846 0.106 17850 57 1 1 . 1 1 10 10 ILE H H 10 8.398 8.398 7.862 0.536 17850 58 1 1 . 1 1 11 11 ALA N N 11 121.678 121.678 123.425 -1.747 17850 59 1 1 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.074 0.059 17850 60 1 1 . 1 1 11 11 ALA C C 11 181.140 181.140 179.848 1.292 17850 61 1 1 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.193 1.261 17850 62 1 1 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.648 -0.736 17850 63 1 1 . 1 1 11 11 ALA H H 11 8.037 8.037 7.723 0.314 17850 64 1 1 . 1 1 12 12 GLU N N 12 118.175 118.175 118.419 -0.244 17850 65 1 1 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.196 -0.078 17850 66 1 1 . 1 1 12 12 GLU C C 12 180.185 180.185 178.905 1.280 17850 67 1 1 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.635 -0.439 17850 68 1 1 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.695 0.684 17850 69 1 1 . 1 1 12 12 GLU H H 12 7.869 7.869 7.489 0.380 17850 70 1 1 . 1 1 13 13 PHE N N 13 119.011 119.011 119.065 -0.054 17850 71 1 1 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.206 0.684 17850 72 1 1 . 1 1 13 13 PHE C C 13 178.486 178.486 178.288 0.198 17850 73 1 1 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.652 -1.203 17850 74 1 1 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.335 0.564 17850 75 1 1 . 1 1 13 13 PHE H H 13 8.429 8.429 8.180 0.249 17850 76 1 1 . 1 1 14 14 LYS N N 14 123.459 123.459 118.349 5.110 17850 77 1 1 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.134 -0.102 17850 78 1 1 . 1 1 14 14 LYS C C 14 179.131 179.131 179.370 -0.239 17850 79 1 1 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.140 1.350 17850 80 1 1 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.151 -0.238 17850 81 1 1 . 1 1 14 14 LYS H H 14 8.925 8.925 8.473 0.452 17850 82 1 1 . 1 1 15 15 GLU N N 15 119.581 119.581 119.475 0.106 17850 83 1 1 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.363 -0.195 17850 84 1 1 . 1 1 15 15 GLU C C 15 179.163 179.163 177.619 1.544 17850 85 1 1 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.836 0.549 17850 86 1 1 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.355 0.032 17850 87 1 1 . 1 1 15 15 GLU H H 15 8.064 8.064 7.934 0.130 17850 88 1 1 . 1 1 16 16 ALA N N 16 120.993 120.993 121.972 -0.979 17850 89 1 1 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.210 1.032 17850 90 1 1 . 1 1 16 16 ALA C C 16 177.628 177.628 178.373 -0.745 17850 91 1 1 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.793 2.392 17850 92 1 1 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.534 -1.610 17850 93 1 1 . 1 1 16 16 ALA H H 16 7.801 7.801 7.767 0.034 17850 94 1 1 . 1 1 17 17 PHE N N 17 118.745 118.745 119.640 -0.895 17850 95 1 1 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.306 -0.952 17850 96 1 1 . 1 1 17 17 PHE C C 17 177.500 177.500 177.212 0.288 17850 97 1 1 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.316 1.384 17850 98 1 1 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.109 1.869 17850 99 1 1 . 1 1 17 17 PHE H H 17 8.469 8.469 7.952 0.517 17850 100 1 1 . 1 1 18 18 ALA N N 18 119.942 119.942 118.132 1.810 17850 101 1 1 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.651 0.359 17850 102 1 1 . 1 1 18 18 ALA C C 18 178.535 178.535 178.534 0.001 17850 103 1 1 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.249 0.167 17850 104 1 1 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.380 0.107 17850 105 1 1 . 1 1 18 18 ALA H H 18 8.187 8.187 7.281 0.906 17850 106 1 1 . 1 1 19 19 LEU N N 19 116.851 116.851 113.445 3.406 17850 107 1 1 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.254 -0.294 17850 108 1 1 . 1 1 19 19 LEU C C 19 176.795 176.795 177.185 -0.390 17850 109 1 1 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.730 2.705 17850 110 1 1 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.097 -1.415 17850 111 1 1 . 1 1 19 19 LEU H H 19 7.254 7.254 7.402 -0.148 17850 112 1 1 . 1 1 20 20 PHE N N 20 111.977 111.977 121.118 -9.141 17850 113 1 1 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.104 0.155 17850 114 1 1 . 1 1 20 20 PHE C C 20 177.033 177.033 176.427 0.606 17850 115 1 1 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.260 -0.604 17850 116 1 1 . 1 1 20 20 PHE CB C 20 42.164 42.164 38.031 4.133 17850 117 1 1 . 1 1 20 20 PHE H H 20 7.041 7.041 7.724 -0.683 17850 118 1 1 . 1 1 21 21 ASP N N 21 116.981 116.981 125.228 -8.247 17850 119 1 1 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.442 0.143 17850 120 1 1 . 1 1 21 21 ASP C C 21 177.297 177.297 177.409 -0.112 17850 121 1 1 . 1 1 21 21 ASP CA C 21 52.671 52.671 55.739 -3.068 17850 122 1 1 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.464 -1.462 17850 123 1 1 . 1 1 21 21 ASP H H 21 7.567 7.567 8.111 -0.544 17850 124 1 1 . 1 1 22 22 LYS N N 22 124.748 124.748 116.265 8.483 17850 125 1 1 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.128 -0.136 17850 126 1 1 . 1 1 22 22 LYS C C 22 177.866 177.866 176.130 1.736 17850 127 1 1 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.436 1.797 17850 128 1 1 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.072 0.555 17850 129 1 1 . 1 1 22 22 LYS H H 22 7.820 7.820 8.199 -0.379 17850 130 1 1 . 1 1 23 23 ASP N N 23 114.211 114.211 117.702 -3.491 17850 131 1 1 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.391 0.212 17850 132 1 1 . 1 1 23 23 ASP C C 23 176.266 176.266 175.760 0.506 17850 133 1 1 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.818 -2.171 17850 134 1 1 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.471 -0.188 17850 135 1 1 . 1 1 23 23 ASP H H 23 8.025 8.025 7.908 0.117 17850 136 1 1 . 1 1 24 24 ASN N N 24 115.587 115.587 117.669 -2.082 17850 137 1 1 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.711 -0.322 17850 138 1 1 . 1 1 24 24 ASN C C 24 174.828 174.828 176.336 -1.508 17850 139 1 1 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.211 1.296 17850 140 1 1 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.224 -1.193 17850 141 1 1 . 1 1 24 24 ASN H H 24 7.962 7.962 8.655 -0.693 17850 142 1 1 . 1 1 25 25 ASN N N 25 117.385 117.385 119.181 -1.796 17850 143 1 1 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.639 0.209 17850 144 1 1 . 1 1 25 25 ASN C C 25 177.553 177.553 173.945 3.608 17850 145 1 1 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.948 -0.633 17850 146 1 1 . 1 1 25 25 ASN H H 25 8.489 8.489 8.104 0.385 17850 147 1 1 . 1 1 26 26 GLY N N 26 113.934 113.934 107.727 6.207 17850 148 1 1 . 1 1 26 26 GLY C C 26 173.371 173.371 173.583 -0.212 17850 149 1 1 . 1 1 26 26 GLY CA C 26 45.538 45.538 44.939 0.599 17850 150 1 1 . 1 1 26 26 GLY H H 26 10.580 10.580 8.014 2.566 17850 151 1 1 . 1 1 27 27 SER N N 27 113.842 113.842 121.896 -8.054 17850 152 1 1 . 1 1 27 27 SER HA H 27 5.358 5.358 4.646 0.712 17850 153 1 1 . 1 1 27 27 SER C C 27 172.645 172.645 175.015 -2.370 17850 154 1 1 . 1 1 27 27 SER CA C 27 57.474 57.474 57.679 -0.205 17850 155 1 1 . 1 1 27 27 SER CB C 27 66.576 66.576 63.279 3.297 17850 156 1 1 . 1 1 27 27 SER H H 27 7.793 7.793 9.095 -1.302 17850 157 1 1 . 1 1 28 28 ILE N N 28 127.597 127.597 128.373 -0.776 17850 158 1 1 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.294 0.531 17850 159 1 1 . 1 1 28 28 ILE C C 28 175.890 175.890 177.281 -1.391 17850 160 1 1 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.487 -0.312 17850 161 1 1 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.739 -0.645 17850 162 1 1 . 1 1 28 28 ILE H H 28 9.787 9.787 9.340 0.447 17850 163 1 1 . 1 1 29 29 SER N N 29 124.860 124.860 116.708 8.152 17850 164 1 1 . 1 1 29 29 SER HA H 29 4.813 4.813 4.164 0.649 17850 165 1 1 . 1 1 29 29 SER C C 29 175.477 175.477 176.808 -1.331 17850 166 1 1 . 1 1 29 29 SER CA C 29 56.583 56.583 61.316 -4.733 17850 167 1 1 . 1 1 29 29 SER CB C 29 66.269 66.269 62.793 3.476 17850 168 1 1 . 1 1 29 29 SER H H 29 9.320 9.320 8.382 0.938 17850 169 1 1 . 1 1 30 30 SER N N 30 117.383 117.383 116.873 0.510 17850 170 1 1 . 1 1 30 30 SER HA H 30 4.141 4.141 4.265 -0.124 17850 171 1 1 . 1 1 30 30 SER C C 30 176.531 176.531 175.295 1.236 17850 172 1 1 . 1 1 30 30 SER CA C 30 62.690 62.690 61.126 1.564 17850 173 1 1 . 1 1 30 30 SER CB C 30 62.264 62.264 63.163 -0.899 17850 174 1 1 . 1 1 30 30 SER H H 30 9.554 9.554 7.898 1.656 17850 175 1 1 . 1 1 31 31 SER N N 31 116.232 116.232 115.162 1.070 17850 176 1 1 . 1 1 31 31 SER HA H 31 4.309 4.309 4.302 0.007 17850 177 1 1 . 1 1 31 31 SER C C 31 178.017 178.017 176.413 1.604 17850 178 1 1 . 1 1 31 31 SER CA C 31 61.332 61.332 60.041 1.291 17850 179 1 1 . 1 1 31 31 SER CB C 31 62.512 62.512 63.757 -1.245 17850 180 1 1 . 1 1 31 31 SER H H 31 8.141 8.141 7.357 0.784 17850 181 1 1 . 1 1 32 32 GLU N N 32 125.663 125.663 120.325 5.338 17850 182 1 1 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.997 0.056 17850 183 1 1 . 1 1 32 32 GLU C C 32 179.222 179.222 178.303 0.919 17850 184 1 1 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.624 0.075 17850 185 1 1 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.550 -0.298 17850 186 1 1 . 1 1 32 32 GLU H H 32 7.947 7.947 8.543 -0.596 17850 187 1 1 . 1 1 33 33 LEU N N 33 120.624 120.624 118.939 1.685 17850 188 1 1 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.070 0.098 17850 189 1 1 . 1 1 33 33 LEU C C 33 178.493 178.493 178.569 -0.076 17850 190 1 1 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.623 1.284 17850 191 1 1 . 1 1 33 33 LEU CB C 33 42.317 42.317 40.875 1.442 17850 192 1 1 . 1 1 33 33 LEU H H 33 8.424 8.424 8.105 0.319 17850 193 1 1 . 1 1 34 34 ALA N N 34 119.635 119.635 121.008 -1.373 17850 194 1 1 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.038 -0.214 17850 195 1 1 . 1 1 34 34 ALA C C 34 179.360 179.360 179.098 0.262 17850 196 1 1 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.143 -0.547 17850 197 1 1 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.984 -0.307 17850 198 1 1 . 1 1 34 34 ALA H H 34 8.410 8.410 7.985 0.425 17850 199 1 1 . 1 1 35 35 THR N N 35 114.602 114.602 116.820 -2.218 17850 200 1 1 . 1 1 35 35 THR HA H 35 3.886 3.886 3.845 0.041 17850 201 1 1 . 1 1 35 35 THR C C 35 177.278 177.278 175.984 1.294 17850 202 1 1 . 1 1 35 35 THR CA C 35 67.317 67.317 66.087 1.230 17850 203 1 1 . 1 1 35 35 THR CB C 35 68.774 68.774 69.040 -0.266 17850 204 1 1 . 1 1 35 35 THR H H 35 8.263 8.263 7.968 0.295 17850 205 1 1 . 1 1 36 36 VAL N N 36 122.295 122.295 118.062 4.233 17850 206 1 1 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.575 0.030 17850 207 1 1 . 1 1 36 36 VAL C C 36 178.653 178.653 178.203 0.450 17850 208 1 1 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.820 -0.082 17850 209 1 1 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.435 -0.132 17850 210 1 1 . 1 1 36 36 VAL H H 36 7.790 7.790 7.636 0.154 17850 211 1 1 . 1 1 37 37 MET N N 37 117.677 117.677 116.436 1.241 17850 212 1 1 . 1 1 37 37 MET HA H 37 3.642 3.642 4.321 -0.679 17850 213 1 1 . 1 1 37 37 MET C C 37 178.172 178.172 178.379 -0.207 17850 214 1 1 . 1 1 37 37 MET CA C 37 60.506 60.506 57.937 2.569 17850 215 1 1 . 1 1 37 37 MET CB C 37 32.347 32.347 31.737 0.610 17850 216 1 1 . 1 1 37 37 MET H H 37 8.081 8.081 8.025 0.056 17850 217 1 1 . 1 1 38 38 ARG N N 38 118.309 118.309 119.820 -1.511 17850 218 1 1 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.135 0.553 17850 219 1 1 . 1 1 38 38 ARG C C 38 181.486 181.486 178.272 3.214 17850 220 1 1 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.264 0.837 17850 221 1 1 . 1 1 38 38 ARG CB C 38 30.012 30.012 30.132 -0.120 17850 222 1 1 . 1 1 38 38 ARG H H 38 8.547 8.547 8.009 0.538 17850 223 1 1 . 1 1 39 39 SER N N 39 119.250 119.250 111.905 7.345 17850 224 1 1 . 1 1 39 39 SER HA H 39 4.301 4.301 4.351 -0.050 17850 225 1 1 . 1 1 39 39 SER C C 39 174.899 174.899 175.369 -0.470 17850 226 1 1 . 1 1 39 39 SER CA C 39 61.925 61.925 59.350 2.575 17850 227 1 1 . 1 1 39 39 SER CB C 39 62.773 62.773 63.548 -0.775 17850 228 1 1 . 1 1 39 39 SER H H 39 8.226 8.226 8.024 0.202 17850 229 1 1 . 1 1 40 40 LEU N N 40 119.516 119.516 117.723 1.793 17850 230 1 1 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.057 0.213 17850 231 1 1 . 1 1 40 40 LEU C C 40 176.681 176.681 176.376 0.305 17850 232 1 1 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.367 0.216 17850 233 1 1 . 1 1 40 40 LEU H H 40 7.343 7.343 7.589 -0.246 17850 234 1 1 . 1 1 41 41 GLY N N 41 105.983 105.983 107.910 -1.927 17850 235 1 1 . 1 1 41 41 GLY C C 41 174.471 174.471 174.878 -0.407 17850 236 1 1 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.592 0.647 17850 237 1 1 . 1 1 41 41 GLY H H 41 7.858 7.858 8.079 -0.221 17850 238 1 1 . 1 1 42 42 LEU N N 42 120.442 120.442 117.559 2.883 17850 239 1 1 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.483 -0.012 17850 240 1 1 . 1 1 42 42 LEU C C 42 175.965 175.965 174.506 1.459 17850 241 1 1 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.656 1.589 17850 242 1 1 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.437 0.094 17850 243 1 1 . 1 1 42 42 LEU H H 42 7.707 7.707 8.264 -0.557 17850 244 1 1 . 1 1 43 43 SER HA H 43 4.798 4.798 4.375 0.423 17850 245 1 1 . 1 1 43 43 SER CA C 43 54.912 54.912 57.478 -2.566 17850 246 1 1 . 1 1 43 43 SER CB C 43 63.197 63.197 63.120 0.077 17850 247 1 1 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.468 0.324 17850 248 1 1 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.438 -0.557 17850 249 1 1 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.723 -0.523 17850 250 1 1 . 1 1 45 45 SER N N 45 119.898 119.898 121.809 -1.911 17850 251 1 1 . 1 1 45 45 SER HA H 45 4.611 4.611 4.039 0.572 17850 252 1 1 . 1 1 45 45 SER C C 45 174.913 174.913 176.206 -1.293 17850 253 1 1 . 1 1 45 45 SER CA C 45 56.689 56.689 61.583 -4.894 17850 254 1 1 . 1 1 45 45 SER CB C 45 65.502 65.502 63.320 2.182 17850 255 1 1 . 1 1 45 45 SER H H 45 9.387 9.387 9.062 0.325 17850 256 1 1 . 1 1 46 46 GLU N N 46 121.468 121.468 118.445 3.023 17850 257 1 1 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.190 -0.251 17850 258 1 1 . 1 1 46 46 GLU C C 46 179.002 179.002 178.895 0.107 17850 259 1 1 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.303 0.832 17850 260 1 1 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.739 0.608 17850 261 1 1 . 1 1 46 46 GLU H H 46 8.913 8.913 8.574 0.339 17850 262 1 1 . 1 1 47 47 ALA N N 47 121.115 121.115 121.461 -0.346 17850 263 1 1 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.087 0.065 17850 264 1 1 . 1 1 47 47 ALA C C 47 179.962 179.962 180.043 -0.081 17850 265 1 1 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.678 0.440 17850 266 1 1 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.117 -0.762 17850 267 1 1 . 1 1 47 47 ALA H H 47 8.324 8.324 7.556 0.768 17850 268 1 1 . 1 1 48 48 GLU N N 48 118.713 118.713 119.413 -0.700 17850 269 1 1 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.866 0.238 17850 270 1 1 . 1 1 48 48 GLU C C 48 179.558 179.558 178.342 1.216 17850 271 1 1 . 1 1 48 48 GLU CA C 48 59.218 59.218 60.992 -1.774 17850 272 1 1 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.625 1.279 17850 273 1 1 . 1 1 48 48 GLU H H 48 7.756 7.756 8.984 -1.228 17850 274 1 1 . 1 1 49 49 VAL N N 49 119.108 119.108 119.945 -0.837 17850 275 1 1 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.927 -0.463 17850 276 1 1 . 1 1 49 49 VAL C C 49 177.505 177.505 178.024 -0.519 17850 277 1 1 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.001 2.470 17850 278 1 1 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.266 0.175 17850 279 1 1 . 1 1 49 49 VAL H H 49 8.129 8.129 7.571 0.558 17850 280 1 1 . 1 1 50 50 ASN N N 50 117.942 117.942 119.103 -1.161 17850 281 1 1 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.493 -0.105 17850 282 1 1 . 1 1 50 50 ASN C C 50 177.275 177.275 177.191 0.084 17850 283 1 1 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.599 1.182 17850 284 1 1 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.458 -0.061 17850 285 1 1 . 1 1 50 50 ASN H H 50 8.071 8.071 7.695 0.376 17850 286 1 1 . 1 1 51 51 ASP N N 51 120.669 120.669 117.988 2.681 17850 287 1 1 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.784 -0.293 17850 288 1 1 . 1 1 51 51 ASP C C 51 179.203 179.203 178.724 0.479 17850 289 1 1 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.313 1.282 17850 290 1 1 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.384 -1.070 17850 291 1 1 . 1 1 51 51 ASP H H 51 8.364 8.364 8.282 0.082 17850 292 1 1 . 1 1 52 52 LEU N N 52 122.409 122.409 118.755 3.654 17850 293 1 1 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.001 0.069 17850 294 1 1 . 1 1 52 52 LEU C C 52 179.017 179.017 177.958 1.059 17850 295 1 1 . 1 1 52 52 LEU CA C 52 58.457 58.457 58.108 0.349 17850 296 1 1 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.642 0.438 17850 297 1 1 . 1 1 52 52 LEU H H 52 8.018 8.018 8.535 -0.517 17850 298 1 1 . 1 1 53 53 MET N N 53 117.391 117.391 117.829 -0.438 17850 299 1 1 . 1 1 53 53 MET HA H 53 4.112 4.112 4.529 -0.417 17850 300 1 1 . 1 1 53 53 MET CA C 53 57.472 57.472 56.817 0.655 17850 301 1 1 . 1 1 53 53 MET CB C 53 30.021 30.021 33.257 -3.236 17850 302 1 1 . 1 1 53 53 MET H H 53 8.562 8.562 8.483 0.079 17850 303 1 1 . 1 1 54 54 ASN N N 54 115.554 115.554 116.530 -0.976 17850 304 1 1 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.573 -0.015 17850 305 1 1 . 1 1 54 54 ASN C C 54 176.801 176.801 175.669 1.132 17850 306 1 1 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.697 0.600 17850 307 1 1 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.965 -0.808 17850 308 1 1 . 1 1 54 54 ASN H H 54 8.204 8.204 8.188 0.016 17850 309 1 1 . 1 1 55 55 GLU N N 55 117.659 117.659 113.728 3.931 17850 310 1 1 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.407 -0.205 17850 311 1 1 . 1 1 55 55 GLU C C 55 177.093 177.093 176.695 0.398 17850 312 1 1 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.724 2.103 17850 313 1 1 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.141 -0.121 17850 314 1 1 . 1 1 55 55 GLU H H 55 7.617 7.617 7.347 0.270 17850 315 1 1 . 1 1 56 56 ILE N N 56 117.618 117.618 122.999 -5.381 17850 316 1 1 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.139 -0.255 17850 317 1 1 . 1 1 56 56 ILE C C 56 176.029 176.029 176.888 -0.859 17850 318 1 1 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.937 -0.123 17850 319 1 1 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.326 1.602 17850 320 1 1 . 1 1 56 56 ILE H H 56 7.472 7.472 7.683 -0.211 17850 321 1 1 . 1 1 57 57 ASP N N 57 118.636 118.636 124.704 -6.068 17850 322 1 1 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.516 -0.104 17850 323 1 1 . 1 1 57 57 ASP C C 57 175.691 175.691 176.262 -0.571 17850 324 1 1 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.493 -0.960 17850 325 1 1 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.783 0.461 17850 326 1 1 . 1 1 57 57 ASP H H 57 8.304 8.304 8.927 -0.623 17850 327 1 1 . 1 1 58 58 VAL N N 58 126.376 126.376 117.074 9.302 17850 328 1 1 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.135 -0.141 17850 329 1 1 . 1 1 58 58 VAL C C 58 177.258 177.258 176.837 0.421 17850 330 1 1 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.873 2.461 17850 331 1 1 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.355 0.952 17850 332 1 1 . 1 1 58 58 VAL H H 58 7.926 7.926 7.484 0.442 17850 333 1 1 . 1 1 59 59 ASP N N 59 117.093 117.093 120.061 -2.968 17850 334 1 1 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.254 0.303 17850 335 1 1 . 1 1 59 59 ASP C C 59 177.759 177.759 176.814 0.945 17850 336 1 1 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.947 -1.071 17850 337 1 1 . 1 1 59 59 ASP H H 59 8.363 8.363 8.271 0.092 17850 338 1 1 . 1 1 60 60 GLY N N 60 108.290 108.290 107.921 0.369 17850 339 1 1 . 1 1 60 60 GLY C C 60 174.700 174.700 174.804 -0.104 17850 340 1 1 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.172 2.948 17850 341 1 1 . 1 1 60 60 GLY H H 60 7.636 7.636 8.929 -1.293 17850 342 1 1 . 1 1 61 61 ASN N N 61 118.884 118.884 115.916 2.968 17850 343 1 1 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.344 0.185 17850 344 1 1 . 1 1 61 61 ASN C C 61 175.856 175.856 172.895 2.961 17850 345 1 1 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.851 -2.491 17850 346 1 1 . 1 1 61 61 ASN CB C 61 37.177 37.177 37.010 0.168 17850 347 1 1 . 1 1 61 61 ASN H H 61 8.078 8.078 8.369 -0.291 17850 348 1 1 . 1 1 62 62 HIS N N 62 117.381 117.381 112.669 4.712 17850 349 1 1 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.122 -1.245 17850 350 1 1 . 1 1 62 62 HIS C C 62 172.310 172.310 173.831 -1.521 17850 351 1 1 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.332 2.041 17850 352 1 1 . 1 1 62 62 HIS CB C 62 26.734 26.734 34.968 -8.234 17850 353 1 1 . 1 1 62 62 HIS H H 62 9.958 9.958 8.336 1.622 17850 354 1 1 . 1 1 63 63 GLN N N 63 112.906 112.906 121.038 -8.132 17850 355 1 1 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.022 -0.190 17850 356 1 1 . 1 1 63 63 GLN C C 63 174.861 174.861 176.168 -1.307 17850 357 1 1 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.592 -0.717 17850 358 1 1 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.004 2.146 17850 359 1 1 . 1 1 63 63 GLN H H 63 7.535 7.535 8.311 -0.776 17850 360 1 1 . 1 1 64 64 ILE N N 64 124.083 124.083 127.118 -3.035 17850 361 1 1 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.818 0.254 17850 362 1 1 . 1 1 64 64 ILE C C 64 176.670 176.670 176.550 0.120 17850 363 1 1 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.834 -0.162 17850 364 1 1 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.887 -1.720 17850 365 1 1 . 1 1 64 64 ILE H H 64 9.274 9.274 8.879 0.395 17850 366 1 1 . 1 1 65 65 GLU N N 65 129.276 129.276 120.117 9.159 17850 367 1 1 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.740 2.300 17850 368 1 1 . 1 1 65 65 GLU C C 65 178.156 178.156 176.735 1.421 17850 369 1 1 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.333 0.515 17850 370 1 1 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.728 1.452 17850 371 1 1 . 1 1 65 65 GLU H H 65 8.848 8.848 9.080 -0.232 17850 372 1 1 . 1 1 66 66 PHE N N 66 124.260 124.260 118.538 5.722 17850 373 1 1 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.923 -0.233 17850 374 1 1 . 1 1 66 66 PHE C C 66 177.294 177.294 177.089 0.205 17850 375 1 1 . 1 1 66 66 PHE CA C 66 62.020 62.020 59.772 2.248 17850 376 1 1 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.830 -0.876 17850 377 1 1 . 1 1 66 66 PHE H H 66 9.353 9.353 8.088 1.265 17850 378 1 1 . 1 1 67 67 SER N N 67 112.827 112.827 118.392 -5.565 17850 379 1 1 . 1 1 67 67 SER HA H 67 3.726 3.726 4.048 -0.322 17850 380 1 1 . 1 1 67 67 SER C C 67 177.352 177.352 176.375 0.977 17850 381 1 1 . 1 1 67 67 SER CA C 67 61.581 61.581 61.321 0.260 17850 382 1 1 . 1 1 67 67 SER CB C 67 61.379 61.379 62.883 -1.504 17850 383 1 1 . 1 1 67 67 SER H H 67 9.035 9.035 8.016 1.019 17850 384 1 1 . 1 1 68 68 GLU N N 68 123.071 123.071 119.965 3.106 17850 385 1 1 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.994 0.141 17850 386 1 1 . 1 1 68 68 GLU C C 68 178.895 178.895 178.006 0.889 17850 387 1 1 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.061 -2.083 17850 388 1 1 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.096 -0.819 17850 389 1 1 . 1 1 68 68 GLU H H 68 6.829 6.829 8.269 -1.440 17850 390 1 1 . 1 1 69 69 PHE N N 69 123.805 123.805 117.298 6.507 17850 391 1 1 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.933 -0.034 17850 392 1 1 . 1 1 69 69 PHE C C 69 176.325 176.325 176.133 0.192 17850 393 1 1 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.341 1.085 17850 394 1 1 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.706 2.722 17850 395 1 1 . 1 1 69 69 PHE H H 69 8.245 8.245 7.478 0.767 17850 396 1 1 . 1 1 70 70 LEU N N 70 119.210 119.210 118.755 0.455 17850 397 1 1 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.037 -0.801 17850 398 1 1 . 1 1 70 70 LEU C C 70 179.131 179.131 178.046 1.085 17850 399 1 1 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.329 1.148 17850 400 1 1 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.369 -0.041 17850 401 1 1 . 1 1 70 70 LEU H H 70 8.788 8.788 7.665 1.123 17850 402 1 1 . 1 1 71 71 ALA N N 71 121.612 121.612 121.255 0.357 17850 403 1 1 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.086 -0.177 17850 404 1 1 . 1 1 71 71 ALA C C 71 179.804 179.804 179.550 0.254 17850 405 1 1 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.955 0.161 17850 406 1 1 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.116 -1.354 17850 407 1 1 . 1 1 71 71 ALA H H 71 7.365 7.365 7.445 -0.080 17850 408 1 1 . 1 1 72 72 LEU N N 72 118.944 118.944 119.616 -0.672 17850 409 1 1 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.967 -0.003 17850 410 1 1 . 1 1 72 72 LEU C C 72 178.415 178.415 178.097 0.318 17850 411 1 1 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.026 0.791 17850 412 1 1 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.949 -0.481 17850 413 1 1 . 1 1 72 72 LEU H H 72 7.142 7.142 7.681 -0.539 17850 414 1 1 . 1 1 73 73 MET N N 73 114.500 114.500 113.513 0.987 17850 415 1 1 . 1 1 73 73 MET HA H 73 3.978 3.978 4.647 -0.669 17850 416 1 1 . 1 1 73 73 MET C C 73 178.283 178.283 175.695 2.588 17850 417 1 1 . 1 1 73 73 MET CA C 73 55.701 55.701 55.163 0.538 17850 418 1 1 . 1 1 73 73 MET CB C 73 30.742 30.742 32.849 -2.107 17850 419 1 1 . 1 1 73 73 MET H H 73 7.726 7.726 7.528 0.198 17850 420 1 1 . 1 1 74 74 SER N N 74 112.626 112.626 115.732 -3.106 17850 421 1 1 . 1 1 74 74 SER HA H 74 4.287 4.287 4.658 -0.371 17850 422 1 1 . 1 1 74 74 SER C C 74 174.717 174.717 174.135 0.582 17850 423 1 1 . 1 1 74 74 SER CA C 74 59.582 59.582 58.179 1.403 17850 424 1 1 . 1 1 74 74 SER CB C 74 63.746 63.746 64.181 -0.435 17850 425 1 1 . 1 1 74 74 SER H H 74 7.857 7.857 8.136 -0.279 17850 426 1 1 . 1 1 75 75 ARG N N 75 122.130 122.130 118.515 3.615 17850 427 1 1 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.433 -0.286 17850 428 1 1 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.836 0.939 17850 429 1 1 . 1 1 75 75 ARG CB C 75 30.666 30.666 31.731 -1.065 17850 430 1 1 . 1 1 75 75 ARG H H 75 7.208 7.208 7.920 -0.712 17850 431 1 1 . 1 1 76 76 GLN N N 76 121.749 121.749 118.324 3.425 17850 432 1 1 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.035 0.249 17850 433 1 1 . 1 1 76 76 GLN CA C 76 56.193 56.193 57.740 -1.547 17850 434 1 1 . 1 1 76 76 GLN CB C 76 29.057 29.057 28.877 0.180 17850 435 1 1 . 1 1 76 76 GLN H H 76 8.327 8.327 8.291 0.036 17850 436 1 1 . 1 1 77 77 LEU N N 77 124.093 124.093 119.398 4.695 17850 437 1 1 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.432 0.007 17850 438 1 1 . 1 1 77 77 LEU C C 77 177.670 177.670 177.687 -0.017 17850 439 1 1 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.138 0.145 17850 440 1 1 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.700 -0.920 17850 441 1 1 . 1 1 77 77 LEU H H 77 8.264 8.264 8.287 -0.023 17850 442 1 1 . 1 1 78 78 LYS N N 78 121.053 121.053 120.860 0.193 17850 443 1 1 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.241 0.166 17850 444 1 1 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.850 -0.665 17850 445 1 1 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.141 0.136 17850 446 1 1 . 1 1 78 78 LYS H H 78 8.433 8.433 8.386 0.047 17850 447 1 1 . 1 1 79 79 SER N N 79 116.423 116.423 118.723 -2.300 17850 448 1 1 . 1 1 79 79 SER HA H 79 4.321 4.321 4.510 -0.189 17850 449 1 1 . 1 1 79 79 SER C C 79 175.145 175.145 174.220 0.925 17850 450 1 1 . 1 1 79 79 SER CA C 79 59.795 59.795 57.674 2.121 17850 451 1 1 . 1 1 79 79 SER CB C 79 63.226 63.226 62.298 0.928 17850 452 1 1 . 1 1 79 79 SER H H 79 8.448 8.448 8.370 0.078 17850 453 1 1 . 1 1 80 80 ASN N N 80 119.581 119.581 121.868 -2.287 17850 454 1 1 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.323 0.376 17850 455 1 1 . 1 1 80 80 ASN C C 80 175.726 175.726 176.851 -1.125 17850 456 1 1 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.446 -2.033 17850 457 1 1 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.871 0.717 17850 458 1 1 . 1 1 80 80 ASN H H 80 8.513 8.513 8.773 -0.260 17850 459 1 1 . 1 1 81 81 ASP N N 81 120.378 120.378 121.014 -0.636 17850 460 1 1 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.335 0.295 17850 461 1 1 . 1 1 81 81 ASP C C 81 177.281 177.281 178.383 -1.102 17850 462 1 1 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.619 -2.026 17850 463 1 1 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.506 1.100 17850 464 1 1 . 1 1 81 81 ASP H H 81 7.957 7.957 8.586 -0.629 17850 465 1 1 . 1 1 82 82 SER N N 82 117.046 117.046 116.432 0.614 17850 466 1 1 . 1 1 82 82 SER HA H 82 4.194 4.194 3.936 0.258 17850 467 1 1 . 1 1 82 82 SER C C 82 176.745 176.745 176.798 -0.053 17850 468 1 1 . 1 1 82 82 SER CA C 82 61.376 61.376 61.719 -0.343 17850 469 1 1 . 1 1 82 82 SER CB C 82 62.896 62.896 62.953 -0.057 17850 470 1 1 . 1 1 82 82 SER H H 82 8.469 8.469 8.398 0.071 17850 471 1 1 . 1 1 83 83 GLU N N 83 122.405 122.405 119.162 3.243 17850 472 1 1 . 1 1 83 83 GLU HA H 83 4.100 4.100 3.995 0.105 17850 473 1 1 . 1 1 83 83 GLU C C 83 178.740 178.740 178.906 -0.166 17850 474 1 1 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.672 -0.207 17850 475 1 1 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.695 -0.291 17850 476 1 1 . 1 1 83 83 GLU H H 83 8.357 8.357 8.358 -0.001 17850 477 1 1 . 1 1 84 84 GLN N N 84 118.604 118.604 118.750 -0.146 17850 478 1 1 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.103 0.006 17850 479 1 1 . 1 1 84 84 GLN C C 84 178.533 178.533 178.546 -0.013 17850 480 1 1 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.336 0.132 17850 481 1 1 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.147 0.274 17850 482 1 1 . 1 1 84 84 GLN H H 84 7.988 7.988 8.383 -0.395 17850 483 1 1 . 1 1 85 85 GLU N N 85 119.418 119.418 120.618 -1.200 17850 484 1 1 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.241 -0.299 17850 485 1 1 . 1 1 85 85 GLU C C 85 178.250 178.250 178.328 -0.078 17850 486 1 1 . 1 1 85 85 GLU CA C 85 60.124 60.124 58.849 1.275 17850 487 1 1 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.231 0.341 17850 488 1 1 . 1 1 85 85 GLU H H 85 8.228 8.228 8.406 -0.178 17850 489 1 1 . 1 1 86 86 LEU N N 86 120.010 120.010 118.045 1.965 17850 490 1 1 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.054 0.105 17850 491 1 1 . 1 1 86 86 LEU C C 86 178.534 178.534 179.208 -0.674 17850 492 1 1 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.797 -0.590 17850 493 1 1 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.922 0.704 17850 494 1 1 . 1 1 86 86 LEU H H 86 7.797 7.797 8.623 -0.826 17850 495 1 1 . 1 1 87 87 LEU N N 87 119.111 119.111 120.379 -1.268 17850 496 1 1 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.063 0.041 17850 497 1 1 . 1 1 87 87 LEU C C 87 179.333 179.333 179.244 0.089 17850 498 1 1 . 1 1 87 87 LEU CA C 87 58.243 58.243 57.925 0.319 17850 499 1 1 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.847 -0.081 17850 500 1 1 . 1 1 87 87 LEU H H 87 7.825 7.825 8.148 -0.323 17850 501 1 1 . 1 1 88 88 GLU N N 88 117.514 117.514 118.791 -1.277 17850 502 1 1 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.494 -0.393 17850 503 1 1 . 1 1 88 88 GLU C C 88 179.461 179.461 178.931 0.530 17850 504 1 1 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.072 -0.056 17850 505 1 1 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.431 -0.761 17850 506 1 1 . 1 1 88 88 GLU H H 88 8.265 8.265 8.239 0.026 17850 507 1 1 . 1 1 89 89 ALA N N 89 120.734 120.734 124.067 -3.333 17850 508 1 1 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.711 0.456 17850 509 1 1 . 1 1 89 89 ALA C C 89 178.362 178.362 177.888 0.474 17850 510 1 1 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.271 0.806 17850 511 1 1 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.748 -1.765 17850 512 1 1 . 1 1 89 89 ALA H H 89 8.192 8.192 8.667 -0.475 17850 513 1 1 . 1 1 90 90 PHE N N 90 119.339 119.339 118.440 0.899 17850 514 1 1 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.225 -1.026 17850 515 1 1 . 1 1 90 90 PHE C C 90 177.497 177.497 176.764 0.733 17850 516 1 1 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.418 1.767 17850 517 1 1 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.323 1.497 17850 518 1 1 . 1 1 90 90 PHE H H 90 8.685 8.685 8.642 0.043 17850 519 1 1 . 1 1 91 91 LYS N N 91 116.189 116.189 118.502 -2.313 17850 520 1 1 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.162 -0.214 17850 521 1 1 . 1 1 91 91 LYS C C 91 178.236 178.236 177.000 1.236 17850 522 1 1 . 1 1 91 91 LYS CA C 91 59.514 59.514 58.366 1.148 17850 523 1 1 . 1 1 91 91 LYS CB C 91 32.871 32.871 33.303 -0.432 17850 524 1 1 . 1 1 91 91 LYS H H 91 8.112 8.112 7.701 0.411 17850 525 1 1 . 1 1 92 92 VAL N N 92 117.696 117.696 117.969 -0.273 17850 526 1 1 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.957 -0.385 17850 527 1 1 . 1 1 92 92 VAL C C 92 176.545 176.545 176.556 -0.011 17850 528 1 1 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.022 0.550 17850 529 1 1 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.682 -1.256 17850 530 1 1 . 1 1 92 92 VAL H H 92 7.383 7.383 7.414 -0.031 17850 531 1 1 . 1 1 93 93 PHE N N 93 114.826 114.826 118.357 -3.531 17850 532 1 1 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.615 -0.388 17850 533 1 1 . 1 1 93 93 PHE C C 93 176.417 176.417 176.374 0.043 17850 534 1 1 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.901 0.699 17850 535 1 1 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.770 2.426 17850 536 1 1 . 1 1 93 93 PHE H H 93 7.116 7.116 7.777 -0.661 17850 537 1 1 . 1 1 94 94 ASP N N 94 116.753 116.753 125.161 -8.408 17850 538 1 1 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.513 0.018 17850 539 1 1 . 1 1 94 94 ASP C C 94 177.305 177.305 177.107 0.198 17850 540 1 1 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.227 -2.756 17850 541 1 1 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.404 -1.563 17850 542 1 1 . 1 1 94 94 ASP H H 94 7.849 7.849 8.210 -0.361 17850 543 1 1 . 1 1 95 95 LYS N N 95 125.185 125.185 119.395 5.790 17850 544 1 1 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.171 -0.168 17850 545 1 1 . 1 1 95 95 LYS C C 95 178.261 178.261 177.019 1.242 17850 546 1 1 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.755 1.322 17850 547 1 1 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.456 -1.266 17850 548 1 1 . 1 1 95 95 LYS H H 95 7.755 7.755 7.793 -0.038 17850 549 1 1 . 1 1 96 96 ASN N N 96 112.542 112.542 119.854 -7.312 17850 550 1 1 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.378 0.407 17850 551 1 1 . 1 1 96 96 ASN C C 96 176.469 176.469 174.449 2.020 17850 552 1 1 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.005 -1.143 17850 553 1 1 . 1 1 96 96 ASN H H 96 8.069 8.069 8.131 -0.062 17850 554 1 1 . 1 1 97 97 GLY N N 97 109.956 109.956 110.756 -0.800 17850 555 1 1 . 1 1 97 97 GLY C C 97 175.032 175.032 175.751 -0.719 17850 556 1 1 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.340 3.369 17850 557 1 1 . 1 1 97 97 GLY H H 97 7.686 7.686 8.770 -1.084 17850 558 1 1 . 1 1 98 98 ASP N N 98 119.383 119.383 120.362 -0.979 17850 559 1 1 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.330 0.223 17850 560 1 1 . 1 1 98 98 ASP C C 98 177.274 177.274 174.637 2.637 17850 561 1 1 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.979 -1.645 17850 562 1 1 . 1 1 98 98 ASP H H 98 8.249 8.249 8.114 0.135 17850 563 1 1 . 1 1 99 99 GLY N N 99 112.398 112.398 105.419 6.979 17850 564 1 1 . 1 1 99 99 GLY C C 99 173.128 173.128 173.970 -0.842 17850 565 1 1 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.746 1.983 17850 566 1 1 . 1 1 99 99 GLY H H 99 10.390 10.390 8.066 2.324 17850 567 1 1 . 1 1 100 100 LEU N N 100 120.803 120.803 125.347 -4.544 17850 568 1 1 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.687 0.578 17850 569 1 1 . 1 1 100 100 LEU C C 100 176.427 176.427 177.383 -0.956 17850 570 1 1 . 1 1 100 100 LEU CA C 100 52.776 52.776 54.966 -2.190 17850 571 1 1 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.438 4.763 17850 572 1 1 . 1 1 100 100 LEU H H 100 7.987 7.987 8.949 -0.962 17850 573 1 1 . 1 1 101 101 ILE N N 101 125.286 125.286 127.923 -2.637 17850 574 1 1 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.325 0.397 17850 575 1 1 . 1 1 101 101 ILE C C 101 175.432 175.432 177.112 -1.680 17850 576 1 1 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.868 -0.619 17850 577 1 1 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.208 -0.144 17850 578 1 1 . 1 1 101 101 ILE H H 101 9.698 9.698 8.253 1.445 17850 579 1 1 . 1 1 102 102 SER N N 102 123.133 123.133 116.812 6.321 17850 580 1 1 . 1 1 102 102 SER HA H 102 4.969 4.969 4.146 0.823 17850 581 1 1 . 1 1 102 102 SER C C 102 175.298 175.298 175.910 -0.612 17850 582 1 1 . 1 1 102 102 SER CA C 102 55.994 55.994 61.762 -5.768 17850 583 1 1 . 1 1 102 102 SER CB C 102 66.456 66.456 62.377 4.079 17850 584 1 1 . 1 1 102 102 SER H H 102 9.095 9.095 9.070 0.025 17850 585 1 1 . 1 1 103 103 ALA N N 103 122.886 122.886 122.074 0.812 17850 586 1 1 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.809 0.080 17850 587 1 1 . 1 1 103 103 ALA C C 103 179.237 179.237 179.607 -0.370 17850 588 1 1 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.347 0.735 17850 589 1 1 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.863 0.194 17850 590 1 1 . 1 1 103 103 ALA H H 103 8.691 8.691 8.616 0.075 17850 591 1 1 . 1 1 104 104 ALA N N 104 118.317 118.317 119.405 -1.088 17850 592 1 1 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.636 0.438 17850 593 1 1 . 1 1 104 104 ALA C C 104 181.451 181.451 178.892 2.559 17850 594 1 1 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.738 0.547 17850 595 1 1 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.363 0.072 17850 596 1 1 . 1 1 104 104 ALA H H 104 8.392 8.392 8.156 0.236 17850 597 1 1 . 1 1 105 105 GLU N N 105 120.398 120.398 118.247 2.151 17850 598 1 1 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.697 -0.637 17850 599 1 1 . 1 1 105 105 GLU C C 105 179.223 179.223 177.954 1.269 17850 600 1 1 . 1 1 105 105 GLU CA C 105 59.463 59.463 58.362 1.101 17850 601 1 1 . 1 1 105 105 GLU CB C 105 29.151 29.151 29.471 -0.320 17850 602 1 1 . 1 1 105 105 GLU H H 105 7.879 7.879 8.319 -0.440 17850 603 1 1 . 1 1 106 106 LEU N N 106 120.023 120.023 120.109 -0.086 17850 604 1 1 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.927 0.236 17850 605 1 1 . 1 1 106 106 LEU C C 106 178.503 178.503 178.803 -0.300 17850 606 1 1 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.440 0.249 17850 607 1 1 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.011 1.276 17850 608 1 1 . 1 1 106 106 LEU H H 106 8.479 8.479 8.779 -0.300 17850 609 1 1 . 1 1 107 107 LYS N N 107 117.064 117.064 120.365 -3.301 17850 610 1 1 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.924 -0.106 17850 611 1 1 . 1 1 107 107 LYS C C 107 179.039 179.039 178.771 0.268 17850 612 1 1 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.236 1.072 17850 613 1 1 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.142 0.747 17850 614 1 1 . 1 1 107 107 LYS H H 107 8.758 8.758 8.462 0.296 17850 615 1 1 . 1 1 108 108 HIS N N 108 119.125 119.125 118.305 0.820 17850 616 1 1 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.623 0.693 17850 617 1 1 . 1 1 108 108 HIS C C 108 178.394 178.394 177.148 1.246 17850 618 1 1 . 1 1 108 108 HIS CA C 108 60.187 60.187 58.918 1.269 17850 619 1 1 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.850 1.642 17850 620 1 1 . 1 1 108 108 HIS H H 108 8.287 8.287 7.537 0.750 17850 621 1 1 . 1 1 109 109 VAL N N 109 119.525 119.525 119.968 -0.443 17850 622 1 1 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.812 -0.327 17850 623 1 1 . 1 1 109 109 VAL C C 109 178.246 178.246 177.816 0.430 17850 624 1 1 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.365 1.345 17850 625 1 1 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.647 0.925 17850 626 1 1 . 1 1 109 109 VAL H H 109 7.915 7.915 8.479 -0.564 17850 627 1 1 . 1 1 110 110 LEU N N 110 117.403 117.403 118.634 -1.231 17850 628 1 1 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.262 -0.283 17850 629 1 1 . 1 1 110 110 LEU C C 110 178.968 178.968 177.944 1.024 17850 630 1 1 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.131 0.087 17850 631 1 1 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.793 -1.265 17850 632 1 1 . 1 1 110 110 LEU H H 110 8.269 8.269 8.116 0.153 17850 633 1 1 . 1 1 111 111 THR N N 111 114.122 114.122 114.511 -0.389 17850 634 1 1 . 1 1 111 111 THR HA H 111 4.184 4.184 4.046 0.138 17850 635 1 1 . 1 1 111 111 THR C C 111 178.534 178.534 175.360 3.174 17850 636 1 1 . 1 1 111 111 THR CA C 111 66.252 66.252 63.738 2.514 17850 637 1 1 . 1 1 111 111 THR CB C 111 68.851 68.851 68.490 0.361 17850 638 1 1 . 1 1 111 111 THR H H 111 8.441 8.441 7.613 0.828 17850 639 1 1 . 1 1 112 112 SER N N 112 119.981 119.981 105.722 14.259 17850 640 1 1 . 1 1 112 112 SER HA H 112 4.215 4.215 4.689 -0.474 17850 641 1 1 . 1 1 112 112 SER C C 112 175.523 175.523 174.171 1.352 17850 642 1 1 . 1 1 112 112 SER CA C 112 62.197 62.197 57.950 4.247 17850 643 1 1 . 1 1 112 112 SER CB C 112 62.936 62.936 65.331 -2.395 17850 644 1 1 . 1 1 112 112 SER H H 112 7.910 7.910 6.997 0.913 17850 645 1 1 . 1 1 113 113 ILE N N 113 112.726 112.726 119.083 -6.357 17850 646 1 1 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.873 0.611 17850 647 1 1 . 1 1 113 113 ILE C C 113 175.636 175.636 175.168 0.468 17850 648 1 1 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.016 -0.261 17850 649 1 1 . 1 1 113 113 ILE H H 113 7.473 7.473 7.270 0.203 17850 650 1 1 . 1 1 114 114 GLY N N 114 108.354 108.354 112.012 -3.658 17850 651 1 1 . 1 1 114 114 GLY C C 114 174.583 174.583 174.211 0.372 17850 652 1 1 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.490 0.360 17850 653 1 1 . 1 1 114 114 GLY H H 114 7.652 7.652 8.069 -0.417 17850 654 1 1 . 1 1 115 115 GLU N N 115 120.283 120.283 125.314 -5.031 17850 655 1 1 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.639 -0.334 17850 656 1 1 . 1 1 115 115 GLU C C 115 175.444 175.444 175.497 -0.053 17850 657 1 1 . 1 1 115 115 GLU CA C 115 55.132 55.132 54.981 0.151 17850 658 1 1 . 1 1 115 115 GLU CB C 115 30.250 30.250 29.656 0.594 17850 659 1 1 . 1 1 115 115 GLU H H 115 8.045 8.045 8.401 -0.356 17850 660 1 1 . 1 1 116 116 LYS N N 116 124.370 124.370 125.072 -0.702 17850 661 1 1 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.430 -0.008 17850 662 1 1 . 1 1 116 116 LYS C C 116 175.287 175.287 177.189 -1.902 17850 663 1 1 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.310 0.325 17850 664 1 1 . 1 1 116 116 LYS CB C 116 32.142 32.142 33.991 -1.849 17850 665 1 1 . 1 1 116 116 LYS H H 116 8.571 8.571 8.264 0.307 17850 666 1 1 . 1 1 117 117 LEU N N 117 125.492 125.492 119.790 5.702 17850 667 1 1 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.315 0.469 17850 668 1 1 . 1 1 117 117 LEU C C 117 177.161 177.161 177.519 -0.358 17850 669 1 1 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.838 0.395 17850 670 1 1 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.523 1.475 17850 671 1 1 . 1 1 117 117 LEU H H 117 8.042 8.042 8.057 -0.015 17850 672 1 1 . 1 1 118 118 THR N N 118 113.255 113.255 116.710 -3.455 17850 673 1 1 . 1 1 118 118 THR HA H 118 4.497 4.497 3.985 0.512 17850 674 1 1 . 1 1 118 118 THR C C 118 175.335 175.335 176.248 -0.913 17850 675 1 1 . 1 1 118 118 THR CA C 118 60.434 60.434 65.869 -5.435 17850 676 1 1 . 1 1 118 118 THR CB C 118 71.193 71.193 68.823 2.370 17850 677 1 1 . 1 1 118 118 THR H H 118 8.995 8.995 8.696 0.299 17850 678 1 1 . 1 1 119 119 ASP N N 119 120.837 120.837 118.609 2.228 17850 679 1 1 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.586 -0.354 17850 680 1 1 . 1 1 119 119 ASP C C 119 178.422 178.422 178.470 -0.048 17850 681 1 1 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.481 1.616 17850 682 1 1 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.185 -0.210 17850 683 1 1 . 1 1 119 119 ASP H H 119 8.743 8.743 8.353 0.390 17850 684 1 1 . 1 1 120 120 ALA N N 120 121.309 121.309 121.920 -0.611 17850 685 1 1 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.053 0.113 17850 686 1 1 . 1 1 120 120 ALA C C 120 179.796 179.796 180.117 -0.321 17850 687 1 1 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.689 0.339 17850 688 1 1 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.711 -0.391 17850 689 1 1 . 1 1 120 120 ALA H H 120 8.304 8.304 7.476 0.828 17850 690 1 1 . 1 1 121 121 GLU N N 121 118.068 118.068 121.135 -3.067 17850 691 1 1 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.008 0.049 17850 692 1 1 . 1 1 121 121 GLU C C 121 180.035 180.035 177.353 2.682 17850 693 1 1 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.194 -0.956 17850 694 1 1 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.450 0.979 17850 695 1 1 . 1 1 121 121 GLU H H 121 7.705 7.705 8.782 -1.077 17850 696 1 1 . 1 1 122 122 VAL N N 122 120.636 120.636 117.830 2.806 17850 697 1 1 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.822 -0.285 17850 698 1 1 . 1 1 122 122 VAL C C 122 177.120 177.120 177.655 -0.535 17850 699 1 1 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.951 1.091 17850 700 1 1 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.580 -0.188 17850 701 1 1 . 1 1 122 122 VAL H H 122 7.935 7.935 7.792 0.143 17850 702 1 1 . 1 1 123 123 ASP N N 123 120.336 120.336 119.551 0.785 17850 703 1 1 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.515 -0.212 17850 704 1 1 . 1 1 123 123 ASP C C 123 179.023 179.023 178.001 1.022 17850 705 1 1 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.364 1.579 17850 706 1 1 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.345 -0.674 17850 707 1 1 . 1 1 123 123 ASP H H 123 8.204 8.204 7.839 0.365 17850 708 1 1 . 1 1 124 124 ASP N N 124 118.890 118.890 121.492 -2.602 17850 709 1 1 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.301 0.039 17850 710 1 1 . 1 1 124 124 ASP C C 124 178.527 178.527 178.791 -0.264 17850 711 1 1 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.425 0.098 17850 712 1 1 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.877 -0.057 17850 713 1 1 . 1 1 124 124 ASP H H 124 8.272 8.272 8.134 0.138 17850 714 1 1 . 1 1 125 125 MET N N 125 119.365 119.365 118.119 1.246 17850 715 1 1 . 1 1 125 125 MET HA H 125 4.091 4.091 4.101 -0.010 17850 716 1 1 . 1 1 125 125 MET C C 125 178.021 178.021 177.839 0.182 17850 717 1 1 . 1 1 125 125 MET CA C 125 59.205 59.205 58.289 0.916 17850 718 1 1 . 1 1 125 125 MET CB C 125 33.281 33.281 31.802 1.479 17850 719 1 1 . 1 1 125 125 MET H H 125 7.750 7.750 8.565 -0.815 17850 720 1 1 . 1 1 126 126 LEU N N 126 117.193 117.193 118.167 -0.974 17850 721 1 1 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.981 -0.057 17850 722 1 1 . 1 1 126 126 LEU C C 126 180.267 180.267 179.510 0.757 17850 723 1 1 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.645 0.157 17850 724 1 1 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.357 0.257 17850 725 1 1 . 1 1 126 126 LEU H H 126 8.152 8.152 7.755 0.397 17850 726 1 1 . 1 1 127 127 ARG N N 127 120.792 120.792 117.988 2.804 17850 727 1 1 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.042 -0.001 17850 728 1 1 . 1 1 127 127 ARG C C 127 178.027 178.027 178.093 -0.066 17850 729 1 1 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.895 0.386 17850 730 1 1 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.430 -0.431 17850 731 1 1 . 1 1 127 127 ARG H H 127 8.335 8.335 7.573 0.762 17850 732 1 1 . 1 1 128 128 GLU N N 128 117.142 117.142 110.319 6.823 17850 733 1 1 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.613 -0.507 17850 734 1 1 . 1 1 128 128 GLU C C 128 178.618 178.618 176.278 2.340 17850 735 1 1 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.668 3.537 17850 736 1 1 . 1 1 128 128 GLU CB C 128 30.394 30.394 29.899 0.495 17850 737 1 1 . 1 1 128 128 GLU H H 128 7.667 7.667 8.327 -0.660 17850 738 1 1 . 1 1 129 129 VAL N N 129 108.345 108.345 118.296 -9.951 17850 739 1 1 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.164 0.323 17850 740 1 1 . 1 1 129 129 VAL C C 129 175.591 175.591 176.475 -0.884 17850 741 1 1 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.282 -0.619 17850 742 1 1 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.713 -0.704 17850 743 1 1 . 1 1 129 129 VAL H H 129 7.470 7.470 7.999 -0.529 17850 744 1 1 . 1 1 130 130 SER N N 130 115.012 115.012 118.675 -3.663 17850 745 1 1 . 1 1 130 130 SER HA H 130 4.670 4.670 4.123 0.547 17850 746 1 1 . 1 1 130 130 SER C C 130 174.414 174.414 174.345 0.069 17850 747 1 1 . 1 1 130 130 SER CA C 130 58.067 58.067 59.605 -1.538 17850 748 1 1 . 1 1 130 130 SER CB C 130 65.814 65.814 61.688 4.126 17850 749 1 1 . 1 1 130 130 SER H H 130 7.858 7.858 7.674 0.184 17850 750 1 1 . 1 1 131 131 ASP N N 131 120.972 120.972 115.869 5.103 17850 751 1 1 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.205 0.361 17850 752 1 1 . 1 1 131 131 ASP C C 131 176.676 176.676 175.647 1.029 17850 753 1 1 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.792 -0.009 17850 754 1 1 . 1 1 131 131 ASP H H 131 8.478 8.478 8.232 0.246 17850 755 1 1 . 1 1 132 132 GLY N N 132 105.512 105.512 108.822 -3.310 17850 756 1 1 . 1 1 132 132 GLY C C 132 174.924 174.924 176.037 -1.113 17850 757 1 1 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.097 -0.427 17850 758 1 1 . 1 1 132 132 GLY H H 132 8.352 8.352 7.753 0.599 17850 759 1 1 . 1 1 133 133 SER N N 133 116.718 116.718 113.098 3.620 17850 760 1 1 . 1 1 133 133 SER HA H 133 4.435 4.435 4.422 0.013 17850 761 1 1 . 1 1 133 133 SER C C 133 175.404 175.404 172.504 2.900 17850 762 1 1 . 1 1 133 133 SER CA C 133 59.340 59.340 58.287 1.053 17850 763 1 1 . 1 1 133 133 SER H H 133 8.104 8.104 8.558 -0.454 17850 764 1 1 . 1 1 134 134 GLY N N 134 109.601 109.601 107.204 2.397 17850 765 1 1 . 1 1 134 134 GLY C C 134 172.547 172.547 172.700 -0.153 17850 766 1 1 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.348 2.475 17850 767 1 1 . 1 1 134 134 GLY H H 134 8.555 8.555 7.433 1.122 17850 768 1 1 . 1 1 135 135 GLU N N 135 117.166 117.166 116.164 1.002 17850 769 1 1 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.906 0.121 17850 770 1 1 . 1 1 135 135 GLU C C 135 175.280 175.280 174.788 0.492 17850 771 1 1 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.810 -0.075 17850 772 1 1 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.224 0.650 17850 773 1 1 . 1 1 135 135 GLU H H 135 7.641 7.641 8.164 -0.523 17850 774 1 1 . 1 1 136 136 ILE N N 136 114.256 114.256 126.369 -12.113 17850 775 1 1 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.927 0.149 17850 776 1 1 . 1 1 136 136 ILE C C 136 175.228 175.228 177.289 -2.061 17850 777 1 1 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.450 -0.052 17850 778 1 1 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.194 2.458 17850 779 1 1 . 1 1 136 136 ILE H H 136 8.565 8.565 8.455 0.110 17850 780 1 1 . 1 1 137 137 ASN N N 137 121.842 121.842 118.266 3.576 17850 781 1 1 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.832 1.433 17850 782 1 1 . 1 1 137 137 ASN C C 137 176.835 176.835 176.018 0.817 17850 783 1 1 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.523 -3.495 17850 784 1 1 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.690 2.023 17850 785 1 1 . 1 1 137 137 ASN H H 137 8.767 8.767 8.784 -0.017 17850 786 1 1 . 1 1 138 138 ILE N N 138 118.075 118.075 117.665 0.410 17850 787 1 1 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.945 -0.193 17850 788 1 1 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.074 0.698 17850 789 1 1 . 1 1 138 138 ILE CB C 138 37.553 37.553 37.373 0.180 17850 790 1 1 . 1 1 138 138 ILE H H 138 8.418 8.418 8.355 0.063 17850 791 1 1 . 1 1 139 139 GLN N N 139 122.926 122.926 119.859 3.067 17850 792 1 1 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.071 0.055 17850 793 1 1 . 1 1 139 139 GLN C C 139 179.886 179.886 178.989 0.897 17850 794 1 1 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.870 0.716 17850 795 1 1 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.507 -0.722 17850 796 1 1 . 1 1 139 139 GLN H H 139 7.632 7.632 8.035 -0.403 17850 797 1 1 . 1 1 140 140 GLN N N 140 121.813 121.813 120.404 1.409 17850 798 1 1 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.846 0.315 17850 799 1 1 . 1 1 140 140 GLN C C 140 178.284 178.284 176.525 1.759 17850 800 1 1 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.496 -0.280 17850 801 1 1 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.589 -0.151 17850 802 1 1 . 1 1 140 140 GLN H H 140 8.416 8.416 8.970 -0.554 17850 803 1 1 . 1 1 141 141 PHE N N 141 121.732 121.732 116.716 5.016 17850 804 1 1 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.966 0.186 17850 805 1 1 . 1 1 141 141 PHE C C 141 176.273 176.273 176.360 -0.087 17850 806 1 1 . 1 1 141 141 PHE CA C 141 60.960 60.960 59.909 1.051 17850 807 1 1 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.075 1.986 17850 808 1 1 . 1 1 141 141 PHE H H 141 9.030 9.030 7.980 1.050 17850 809 1 1 . 1 1 142 142 ALA N N 142 119.852 119.852 119.860 -0.008 17850 810 1 1 . 1 1 142 142 ALA HA H 142 3.803 3.803 4.014 -0.211 17850 811 1 1 . 1 1 142 142 ALA C C 142 180.733 180.733 178.193 2.540 17850 812 1 1 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.200 1.010 17850 813 1 1 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.341 -0.439 17850 814 1 1 . 1 1 142 142 ALA H H 142 8.399 8.399 8.087 0.312 17850 815 1 1 . 1 1 143 143 ALA N N 143 120.555 120.555 119.978 0.577 17850 816 1 1 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.894 0.220 17850 817 1 1 . 1 1 143 143 ALA C C 143 180.455 180.455 179.381 1.074 17850 818 1 1 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.859 0.153 17850 819 1 1 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.046 -1.197 17850 820 1 1 . 1 1 143 143 ALA H H 143 7.627 7.627 7.058 0.569 17850 821 1 1 . 1 1 144 144 LEU N N 144 121.054 121.054 116.480 4.574 17850 822 1 1 . 1 1 144 144 LEU HA H 144 3.933 3.933 3.899 0.034 17850 823 1 1 . 1 1 144 144 LEU C C 144 177.756 177.756 178.019 -0.263 17850 824 1 1 . 1 1 144 144 LEU CA C 144 57.696 57.696 57.054 0.642 17850 825 1 1 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.466 0.372 17850 826 1 1 . 1 1 144 144 LEU H H 144 8.029 8.029 7.355 0.674 17850 827 1 1 . 1 1 145 145 LEU N N 145 115.288 115.288 117.117 -1.829 17850 828 1 1 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.426 -0.453 17850 829 1 1 . 1 1 145 145 LEU C C 145 177.284 177.284 176.501 0.783 17850 830 1 1 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.468 0.816 17850 831 1 1 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.330 -0.720 17850 832 1 1 . 1 1 145 145 LEU H H 145 7.309 7.309 7.651 -0.342 17850 833 1 1 . 1 1 146 146 SER N N 146 114.503 114.503 117.804 -3.301 17850 834 1 1 . 1 1 146 146 SER HA H 146 4.346 4.346 4.518 -0.172 17850 835 1 1 . 1 1 146 146 SER C C 146 175.125 175.125 175.639 -0.514 17850 836 1 1 . 1 1 146 146 SER CA C 146 59.046 59.046 58.975 0.071 17850 837 1 1 . 1 1 146 146 SER CB C 146 64.181 64.181 63.626 0.555 17850 838 1 1 . 1 1 146 146 SER H H 146 7.506 7.506 8.127 -0.621 17850 839 1 1 . 1 1 147 147 LYS N N 147 123.315 123.315 119.142 4.173 17850 840 1 1 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.033 0.134 17850 841 1 1 . 1 1 147 147 LYS CA C 147 57.682 57.682 57.574 0.108 17850 842 1 1 . 1 1 147 147 LYS H H 147 8.329 8.329 8.677 -0.348 17850 843 1 1 . 1 1 148 148 GLY N N 148 108.566 108.566 107.269 1.297 17850 844 1 1 . 1 1 148 148 GLY C C 148 174.394 174.394 175.541 -1.147 17850 845 1 1 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.736 -0.208 17850 846 1 1 . 1 1 148 148 GLY H H 148 8.353 8.353 7.989 0.364 17850 847 1 1 . 1 1 149 149 SER N N 149 115.356 115.356 118.329 -2.973 17850 848 1 1 . 1 1 149 149 SER HA H 149 4.484 4.484 4.708 -0.224 17850 849 1 1 . 1 1 149 149 SER C C 149 175.038 175.038 174.036 1.002 17850 850 1 1 . 1 1 149 149 SER CA C 149 58.418 58.418 57.536 0.882 17850 851 1 1 . 1 1 149 149 SER CB C 149 64.171 64.171 61.989 2.182 17850 852 1 1 . 1 1 149 149 SER H H 149 7.993 7.993 8.462 -0.469 17850 853 1 1 . 1 1 150 150 SER N N 150 118.028 118.028 117.030 0.998 17850 854 1 1 . 1 1 150 150 SER HA H 150 4.490 4.490 4.551 -0.061 17850 855 1 1 . 1 1 150 150 SER C C 150 175.034 175.034 174.924 0.110 17850 856 1 1 . 1 1 150 150 SER CA C 150 59.029 59.029 57.518 1.511 17850 857 1 1 . 1 1 150 150 SER CB C 150 63.407 63.407 64.458 -1.051 17850 858 1 1 . 1 1 150 150 SER H H 150 8.530 8.530 7.700 0.830 17850 859 1 2 . 1 1 1 1 GLY N N 1 109.911 109.911 111.146 -1.235 17850 860 1 2 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.841 0.595 17850 861 1 2 . 1 1 1 1 GLY H H 1 8.410 8.410 8.291 0.119 17850 862 1 2 . 1 1 2 2 SER N N 2 115.579 115.579 118.823 -3.244 17850 863 1 2 . 1 1 2 2 SER HA H 2 4.474 4.474 4.278 0.196 17850 864 1 2 . 1 1 2 2 SER C C 2 174.661 174.661 175.156 -0.495 17850 865 1 2 . 1 1 2 2 SER CA C 2 58.374 58.374 58.632 -0.258 17850 866 1 2 . 1 1 2 2 SER CB C 2 63.986 63.986 63.509 0.477 17850 867 1 2 . 1 1 2 2 SER H H 2 8.207 8.207 8.616 -0.409 17850 868 1 2 . 1 1 3 3 SER N N 3 117.154 117.154 121.291 -4.137 17850 869 1 2 . 1 1 3 3 SER HA H 3 4.439 4.439 4.489 -0.050 17850 870 1 2 . 1 1 3 3 SER C C 3 174.122 174.122 173.652 0.470 17850 871 1 2 . 1 1 3 3 SER CA C 3 58.695 58.695 58.453 0.242 17850 872 1 2 . 1 1 3 3 SER CB C 3 63.865 63.865 63.655 0.210 17850 873 1 2 . 1 1 3 3 SER H H 3 8.337 8.337 8.821 -0.484 17850 874 1 2 . 1 1 4 4 ASN N N 4 120.145 120.145 117.262 2.883 17850 875 1 2 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.037 -0.311 17850 876 1 2 . 1 1 4 4 ASN C C 4 174.741 174.741 175.185 -0.444 17850 877 1 2 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.423 0.903 17850 878 1 2 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.718 -0.916 17850 879 1 2 . 1 1 4 4 ASN H H 4 8.432 8.432 7.711 0.721 17850 880 1 2 . 1 1 5 5 LEU N N 5 121.341 121.341 115.710 5.631 17850 881 1 2 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.654 0.025 17850 882 1 2 . 1 1 5 5 LEU C C 5 177.641 177.641 177.448 0.193 17850 883 1 2 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.477 1.988 17850 884 1 2 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.531 -0.818 17850 885 1 2 . 1 1 5 5 LEU H H 5 7.966 7.966 8.015 -0.049 17850 886 1 2 . 1 1 6 6 THR N N 6 113.168 113.168 115.185 -2.017 17850 887 1 2 . 1 1 6 6 THR HA H 6 4.470 4.470 3.971 0.499 17850 888 1 2 . 1 1 6 6 THR C C 6 175.390 175.390 176.186 -0.796 17850 889 1 2 . 1 1 6 6 THR CA C 6 60.543 60.543 65.438 -4.894 17850 890 1 2 . 1 1 6 6 THR CB C 6 71.190 71.190 68.476 2.714 17850 891 1 2 . 1 1 6 6 THR H H 6 8.716 8.716 8.797 -0.081 17850 892 1 2 . 1 1 7 7 GLU N N 7 120.480 120.480 118.494 1.986 17850 893 1 2 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.205 -0.220 17850 894 1 2 . 1 1 7 7 GLU C C 7 179.475 179.475 177.636 1.839 17850 895 1 2 . 1 1 7 7 GLU CA C 7 60.073 60.073 57.781 2.292 17850 896 1 2 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.656 -0.363 17850 897 1 2 . 1 1 7 7 GLU H H 7 8.997 8.997 7.740 1.257 17850 898 1 2 . 1 1 8 8 GLU N N 8 119.766 119.766 117.124 2.642 17850 899 1 2 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.271 -0.184 17850 900 1 2 . 1 1 8 8 GLU C C 8 178.641 178.641 178.927 -0.286 17850 901 1 2 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.101 1.734 17850 902 1 2 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.394 -0.996 17850 903 1 2 . 1 1 8 8 GLU H H 8 8.603 8.603 8.102 0.501 17850 904 1 2 . 1 1 9 9 GLN N N 9 119.234 119.234 118.424 0.810 17850 905 1 2 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.339 -0.410 17850 906 1 2 . 1 1 9 9 GLN C C 9 178.969 178.969 178.188 0.781 17850 907 1 2 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.717 2.002 17850 908 1 2 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.829 2.752 17850 909 1 2 . 1 1 9 9 GLN H H 9 7.730 7.730 8.046 -0.316 17850 910 1 2 . 1 1 10 10 ILE N N 10 119.661 119.661 118.081 1.580 17850 911 1 2 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.083 -0.320 17850 912 1 2 . 1 1 10 10 ILE C C 10 178.040 178.040 177.581 0.459 17850 913 1 2 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.765 2.456 17850 914 1 2 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.349 0.603 17850 915 1 2 . 1 1 10 10 ILE H H 10 8.398 8.398 7.850 0.548 17850 916 1 2 . 1 1 11 11 ALA N N 11 121.678 121.678 122.923 -1.245 17850 917 1 2 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.064 0.069 17850 918 1 2 . 1 1 11 11 ALA C C 11 181.140 181.140 179.860 1.280 17850 919 1 2 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.122 1.332 17850 920 1 2 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.645 -0.733 17850 921 1 2 . 1 1 11 11 ALA H H 11 8.037 8.037 7.661 0.376 17850 922 1 2 . 1 1 12 12 GLU N N 12 118.175 118.175 118.625 -0.450 17850 923 1 2 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.250 -0.132 17850 924 1 2 . 1 1 12 12 GLU C C 12 180.185 180.185 179.137 1.048 17850 925 1 2 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.426 -0.231 17850 926 1 2 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.707 0.672 17850 927 1 2 . 1 1 12 12 GLU H H 12 7.869 7.869 7.541 0.328 17850 928 1 2 . 1 1 13 13 PHE N N 13 119.011 119.011 119.177 -0.166 17850 929 1 2 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.080 0.810 17850 930 1 2 . 1 1 13 13 PHE C C 13 178.486 178.486 178.376 0.110 17850 931 1 2 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.509 -1.060 17850 932 1 2 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.275 0.624 17850 933 1 2 . 1 1 13 13 PHE H H 13 8.429 8.429 7.756 0.673 17850 934 1 2 . 1 1 14 14 LYS N N 14 123.459 123.459 118.797 4.662 17850 935 1 2 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.109 -0.077 17850 936 1 2 . 1 1 14 14 LYS C C 14 179.131 179.131 179.179 -0.048 17850 937 1 2 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.139 1.351 17850 938 1 2 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.080 -0.166 17850 939 1 2 . 1 1 14 14 LYS H H 14 8.925 8.925 8.424 0.501 17850 940 1 2 . 1 1 15 15 GLU N N 15 119.581 119.581 119.397 0.184 17850 941 1 2 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.228 -0.060 17850 942 1 2 . 1 1 15 15 GLU C C 15 179.163 179.163 178.395 0.768 17850 943 1 2 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.193 0.192 17850 944 1 2 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.214 0.173 17850 945 1 2 . 1 1 15 15 GLU H H 15 8.064 8.064 8.203 -0.139 17850 946 1 2 . 1 1 16 16 ALA N N 16 120.993 120.993 121.356 -0.363 17850 947 1 2 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.493 0.749 17850 948 1 2 . 1 1 16 16 ALA C C 16 177.628 177.628 178.369 -0.741 17850 949 1 2 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.964 2.221 17850 950 1 2 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.086 -1.162 17850 951 1 2 . 1 1 16 16 ALA H H 16 7.801 7.801 8.232 -0.431 17850 952 1 2 . 1 1 17 17 PHE N N 17 118.745 118.745 118.697 0.048 17850 953 1 2 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.523 -1.169 17850 954 1 2 . 1 1 17 17 PHE C C 17 177.500 177.500 176.892 0.608 17850 955 1 2 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.214 1.486 17850 956 1 2 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.060 1.918 17850 957 1 2 . 1 1 17 17 PHE H H 17 8.469 8.469 8.095 0.374 17850 958 1 2 . 1 1 18 18 ALA N N 18 119.942 119.942 117.521 2.421 17850 959 1 2 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.770 0.240 17850 960 1 2 . 1 1 18 18 ALA C C 18 178.535 178.535 178.633 -0.098 17850 961 1 2 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.001 0.415 17850 962 1 2 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.360 0.127 17850 963 1 2 . 1 1 18 18 ALA H H 18 8.187 8.187 6.992 1.195 17850 964 1 2 . 1 1 19 19 LEU N N 19 116.851 116.851 114.493 2.358 17850 965 1 2 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.282 -0.322 17850 966 1 2 . 1 1 19 19 LEU C C 19 176.795 176.795 177.549 -0.754 17850 967 1 2 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.871 2.564 17850 968 1 2 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.045 -1.363 17850 969 1 2 . 1 1 19 19 LEU H H 19 7.254 7.254 7.091 0.163 17850 970 1 2 . 1 1 20 20 PHE N N 20 111.977 111.977 120.714 -8.737 17850 971 1 2 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.135 0.124 17850 972 1 2 . 1 1 20 20 PHE C C 20 177.033 177.033 176.478 0.555 17850 973 1 2 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.431 -0.775 17850 974 1 2 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.992 4.172 17850 975 1 2 . 1 1 20 20 PHE H H 20 7.041 7.041 8.133 -1.092 17850 976 1 2 . 1 1 21 21 ASP N N 21 116.981 116.981 124.069 -7.088 17850 977 1 2 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.332 0.253 17850 978 1 2 . 1 1 21 21 ASP C C 21 177.297 177.297 177.574 -0.277 17850 979 1 2 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.373 -3.701 17850 980 1 2 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.586 -1.584 17850 981 1 2 . 1 1 21 21 ASP H H 21 7.567 7.567 8.335 -0.768 17850 982 1 2 . 1 1 22 22 LYS N N 22 124.748 124.748 115.356 9.392 17850 983 1 2 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.148 -0.156 17850 984 1 2 . 1 1 22 22 LYS C C 22 177.866 177.866 176.200 1.666 17850 985 1 2 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.676 1.557 17850 986 1 2 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.465 0.162 17850 987 1 2 . 1 1 22 22 LYS H H 22 7.820 7.820 8.229 -0.409 17850 988 1 2 . 1 1 23 23 ASP N N 23 114.211 114.211 117.033 -2.822 17850 989 1 2 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.412 0.191 17850 990 1 2 . 1 1 23 23 ASP C C 23 176.266 176.266 175.447 0.819 17850 991 1 2 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.103 -2.456 17850 992 1 2 . 1 1 23 23 ASP CB C 23 39.283 39.283 38.978 0.305 17850 993 1 2 . 1 1 23 23 ASP H H 23 8.025 8.025 8.362 -0.337 17850 994 1 2 . 1 1 24 24 ASN N N 24 115.587 115.587 117.307 -1.720 17850 995 1 2 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.730 -0.341 17850 996 1 2 . 1 1 24 24 ASN C C 24 174.828 174.828 176.526 -1.698 17850 997 1 2 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.327 1.180 17850 998 1 2 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.030 -0.999 17850 999 1 2 . 1 1 24 24 ASN H H 24 7.962 7.962 8.035 -0.073 17850 1000 1 2 . 1 1 25 25 ASN N N 25 117.385 117.385 118.192 -0.807 17850 1001 1 2 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.607 0.241 17850 1002 1 2 . 1 1 25 25 ASN C C 25 177.553 177.553 174.071 3.482 17850 1003 1 2 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.204 -0.889 17850 1004 1 2 . 1 1 25 25 ASN H H 25 8.489 8.489 8.527 -0.038 17850 1005 1 2 . 1 1 26 26 GLY N N 26 113.934 113.934 106.941 6.993 17850 1006 1 2 . 1 1 26 26 GLY C C 26 173.371 173.371 173.597 -0.226 17850 1007 1 2 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.051 0.487 17850 1008 1 2 . 1 1 26 26 GLY H H 26 10.580 10.580 8.369 2.211 17850 1009 1 2 . 1 1 27 27 SER N N 27 113.842 113.842 122.353 -8.511 17850 1010 1 2 . 1 1 27 27 SER HA H 27 5.358 5.358 4.750 0.608 17850 1011 1 2 . 1 1 27 27 SER C C 27 172.645 172.645 175.114 -2.469 17850 1012 1 2 . 1 1 27 27 SER CA C 27 57.474 57.474 57.676 -0.202 17850 1013 1 2 . 1 1 27 27 SER CB C 27 66.576 66.576 63.223 3.353 17850 1014 1 2 . 1 1 27 27 SER H H 27 7.793 7.793 8.997 -1.204 17850 1015 1 2 . 1 1 28 28 ILE N N 28 127.597 127.597 128.104 -0.507 17850 1016 1 2 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.234 0.591 17850 1017 1 2 . 1 1 28 28 ILE C C 28 175.890 175.890 177.401 -1.511 17850 1018 1 2 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.438 -0.262 17850 1019 1 2 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.847 -0.753 17850 1020 1 2 . 1 1 28 28 ILE H H 28 9.787 9.787 9.074 0.713 17850 1021 1 2 . 1 1 29 29 SER N N 29 124.860 124.860 118.068 6.792 17850 1022 1 2 . 1 1 29 29 SER HA H 29 4.813 4.813 4.109 0.704 17850 1023 1 2 . 1 1 29 29 SER C C 29 175.477 175.477 176.453 -0.976 17850 1024 1 2 . 1 1 29 29 SER CA C 29 56.583 56.583 60.976 -4.393 17850 1025 1 2 . 1 1 29 29 SER CB C 29 66.269 66.269 62.390 3.879 17850 1026 1 2 . 1 1 29 29 SER H H 29 9.320 9.320 8.466 0.854 17850 1027 1 2 . 1 1 30 30 SER N N 30 117.383 117.383 116.320 1.063 17850 1028 1 2 . 1 1 30 30 SER HA H 30 4.141 4.141 4.457 -0.316 17850 1029 1 2 . 1 1 30 30 SER C C 30 176.531 176.531 175.284 1.247 17850 1030 1 2 . 1 1 30 30 SER CA C 30 62.690 62.690 59.823 2.867 17850 1031 1 2 . 1 1 30 30 SER CB C 30 62.264 62.264 63.306 -1.042 17850 1032 1 2 . 1 1 30 30 SER H H 30 9.554 9.554 7.931 1.623 17850 1033 1 2 . 1 1 31 31 SER N N 31 116.232 116.232 116.828 -0.596 17850 1034 1 2 . 1 1 31 31 SER HA H 31 4.309 4.309 4.278 0.031 17850 1035 1 2 . 1 1 31 31 SER C C 31 178.017 178.017 176.655 1.362 17850 1036 1 2 . 1 1 31 31 SER CA C 31 61.332 61.332 59.908 1.424 17850 1037 1 2 . 1 1 31 31 SER CB C 31 62.512 62.512 63.652 -1.140 17850 1038 1 2 . 1 1 31 31 SER H H 31 8.141 8.141 7.953 0.188 17850 1039 1 2 . 1 1 32 32 GLU N N 32 125.663 125.663 119.781 5.882 17850 1040 1 2 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.908 0.145 17850 1041 1 2 . 1 1 32 32 GLU C C 32 179.222 179.222 177.300 1.922 17850 1042 1 2 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.637 0.062 17850 1043 1 2 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.625 -0.373 17850 1044 1 2 . 1 1 32 32 GLU H H 32 7.947 7.947 8.651 -0.704 17850 1045 1 2 . 1 1 33 33 LEU N N 33 120.624 120.624 117.520 3.104 17850 1046 1 2 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.049 0.119 17850 1047 1 2 . 1 1 33 33 LEU C C 33 178.493 178.493 178.632 -0.139 17850 1048 1 2 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.264 1.643 17850 1049 1 2 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.067 1.250 17850 1050 1 2 . 1 1 33 33 LEU H H 33 8.424 8.424 7.560 0.864 17850 1051 1 2 . 1 1 34 34 ALA N N 34 119.635 119.635 119.061 0.574 17850 1052 1 2 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.024 -0.200 17850 1053 1 2 . 1 1 34 34 ALA C C 34 179.360 179.360 177.822 1.538 17850 1054 1 2 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.417 0.179 17850 1055 1 2 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.812 -0.135 17850 1056 1 2 . 1 1 34 34 ALA H H 34 8.410 8.410 7.995 0.415 17850 1057 1 2 . 1 1 35 35 THR N N 35 114.602 114.602 113.569 1.033 17850 1058 1 2 . 1 1 35 35 THR HA H 35 3.886 3.886 4.042 -0.156 17850 1059 1 2 . 1 1 35 35 THR C C 35 177.278 177.278 176.325 0.953 17850 1060 1 2 . 1 1 35 35 THR CA C 35 67.317 67.317 64.304 3.013 17850 1061 1 2 . 1 1 35 35 THR CB C 35 68.774 68.774 69.193 -0.419 17850 1062 1 2 . 1 1 35 35 THR H H 35 8.263 8.263 7.654 0.609 17850 1063 1 2 . 1 1 36 36 VAL N N 36 122.295 122.295 118.782 3.513 17850 1064 1 2 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.551 0.054 17850 1065 1 2 . 1 1 36 36 VAL C C 36 178.653 178.653 178.200 0.453 17850 1066 1 2 . 1 1 36 36 VAL CA C 36 66.738 66.738 67.035 -0.298 17850 1067 1 2 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.267 0.035 17850 1068 1 2 . 1 1 36 36 VAL H H 36 7.790 7.790 7.641 0.149 17850 1069 1 2 . 1 1 37 37 MET N N 37 117.677 117.677 115.984 1.693 17850 1070 1 2 . 1 1 37 37 MET HA H 37 3.642 3.642 4.293 -0.651 17850 1071 1 2 . 1 1 37 37 MET C C 37 178.172 178.172 178.322 -0.150 17850 1072 1 2 . 1 1 37 37 MET CA C 37 60.506 60.506 57.791 2.715 17850 1073 1 2 . 1 1 37 37 MET CB C 37 32.347 32.347 31.745 0.602 17850 1074 1 2 . 1 1 37 37 MET H H 37 8.081 8.081 8.065 0.016 17850 1075 1 2 . 1 1 38 38 ARG N N 38 118.309 118.309 117.938 0.371 17850 1076 1 2 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.125 0.563 17850 1077 1 2 . 1 1 38 38 ARG C C 38 181.486 181.486 177.146 4.340 17850 1078 1 2 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.211 0.890 17850 1079 1 2 . 1 1 38 38 ARG CB C 38 30.012 30.012 30.267 -0.255 17850 1080 1 2 . 1 1 38 38 ARG H H 38 8.547 8.547 7.973 0.574 17850 1081 1 2 . 1 1 39 39 SER N N 39 119.250 119.250 111.626 7.624 17850 1082 1 2 . 1 1 39 39 SER HA H 39 4.301 4.301 4.246 0.055 17850 1083 1 2 . 1 1 39 39 SER C C 39 174.899 174.899 174.688 0.211 17850 1084 1 2 . 1 1 39 39 SER CA C 39 61.925 61.925 58.751 3.174 17850 1085 1 2 . 1 1 39 39 SER CB C 39 62.773 62.773 63.736 -0.963 17850 1086 1 2 . 1 1 39 39 SER H H 39 8.226 8.226 7.646 0.580 17850 1087 1 2 . 1 1 40 40 LEU N N 40 119.516 119.516 116.594 2.922 17850 1088 1 2 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.032 0.238 17850 1089 1 2 . 1 1 40 40 LEU C C 40 176.681 176.681 176.485 0.196 17850 1090 1 2 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.339 0.244 17850 1091 1 2 . 1 1 40 40 LEU H H 40 7.343 7.343 7.365 -0.022 17850 1092 1 2 . 1 1 41 41 GLY N N 41 105.983 105.983 108.242 -2.259 17850 1093 1 2 . 1 1 41 41 GLY C C 41 174.471 174.471 174.499 -0.028 17850 1094 1 2 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.946 0.293 17850 1095 1 2 . 1 1 41 41 GLY H H 41 7.858 7.858 8.108 -0.250 17850 1096 1 2 . 1 1 42 42 LEU N N 42 120.442 120.442 117.768 2.674 17850 1097 1 2 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.531 -0.060 17850 1098 1 2 . 1 1 42 42 LEU C C 42 175.965 175.965 174.609 1.356 17850 1099 1 2 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.945 1.300 17850 1100 1 2 . 1 1 42 42 LEU CB C 42 42.531 42.531 41.573 0.958 17850 1101 1 2 . 1 1 42 42 LEU H H 42 7.707 7.707 8.345 -0.638 17850 1102 1 2 . 1 1 43 43 SER HA H 43 4.798 4.798 4.683 0.115 17850 1103 1 2 . 1 1 43 43 SER CA C 43 54.912 54.912 57.508 -2.596 17850 1104 1 2 . 1 1 43 43 SER CB C 43 63.197 63.197 63.366 -0.169 17850 1105 1 2 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.536 0.256 17850 1106 1 2 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.349 -0.468 17850 1107 1 2 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.579 -1.379 17850 1108 1 2 . 1 1 45 45 SER N N 45 119.898 119.898 122.424 -2.526 17850 1109 1 2 . 1 1 45 45 SER HA H 45 4.611 4.611 3.974 0.637 17850 1110 1 2 . 1 1 45 45 SER C C 45 174.913 174.913 176.208 -1.295 17850 1111 1 2 . 1 1 45 45 SER CA C 45 56.689 56.689 61.684 -4.995 17850 1112 1 2 . 1 1 45 45 SER CB C 45 65.502 65.502 63.499 2.003 17850 1113 1 2 . 1 1 45 45 SER H H 45 9.387 9.387 9.049 0.338 17850 1114 1 2 . 1 1 46 46 GLU N N 46 121.468 121.468 118.349 3.119 17850 1115 1 2 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.212 -0.273 17850 1116 1 2 . 1 1 46 46 GLU C C 46 179.002 179.002 178.885 0.117 17850 1117 1 2 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.220 0.915 17850 1118 1 2 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.790 0.557 17850 1119 1 2 . 1 1 46 46 GLU H H 46 8.913 8.913 8.513 0.400 17850 1120 1 2 . 1 1 47 47 ALA N N 47 121.115 121.115 121.813 -0.698 17850 1121 1 2 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.188 -0.036 17850 1122 1 2 . 1 1 47 47 ALA C C 47 179.962 179.962 180.206 -0.244 17850 1123 1 2 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.765 0.353 17850 1124 1 2 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.094 -0.739 17850 1125 1 2 . 1 1 47 47 ALA H H 47 8.324 8.324 7.824 0.500 17850 1126 1 2 . 1 1 48 48 GLU N N 48 118.713 118.713 119.006 -0.293 17850 1127 1 2 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.843 0.261 17850 1128 1 2 . 1 1 48 48 GLU C C 48 179.558 179.558 178.366 1.192 17850 1129 1 2 . 1 1 48 48 GLU CA C 48 59.218 59.218 60.999 -1.781 17850 1130 1 2 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.655 1.249 17850 1131 1 2 . 1 1 48 48 GLU H H 48 7.756 7.756 8.933 -1.177 17850 1132 1 2 . 1 1 49 49 VAL N N 49 119.108 119.108 119.850 -0.742 17850 1133 1 2 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.922 -0.458 17850 1134 1 2 . 1 1 49 49 VAL C C 49 177.505 177.505 177.917 -0.412 17850 1135 1 2 . 1 1 49 49 VAL CA C 49 67.471 67.471 64.709 2.762 17850 1136 1 2 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.370 0.071 17850 1137 1 2 . 1 1 49 49 VAL H H 49 8.129 8.129 7.391 0.738 17850 1138 1 2 . 1 1 50 50 ASN N N 50 117.942 117.942 119.148 -1.206 17850 1139 1 2 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.473 -0.085 17850 1140 1 2 . 1 1 50 50 ASN C C 50 177.275 177.275 177.269 0.006 17850 1141 1 2 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.694 1.087 17850 1142 1 2 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.487 -0.090 17850 1143 1 2 . 1 1 50 50 ASN H H 50 8.071 8.071 7.761 0.310 17850 1144 1 2 . 1 1 51 51 ASP N N 51 120.669 120.669 118.615 2.054 17850 1145 1 2 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.560 -0.069 17850 1146 1 2 . 1 1 51 51 ASP C C 51 179.203 179.203 177.995 1.208 17850 1147 1 2 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.353 1.242 17850 1148 1 2 . 1 1 51 51 ASP CB C 51 40.314 40.314 40.823 -0.509 17850 1149 1 2 . 1 1 51 51 ASP H H 51 8.364 8.364 8.348 0.016 17850 1150 1 2 . 1 1 52 52 LEU N N 52 122.409 122.409 116.746 5.663 17850 1151 1 2 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.089 -0.019 17850 1152 1 2 . 1 1 52 52 LEU C C 52 179.017 179.017 177.742 1.275 17850 1153 1 2 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.505 0.952 17850 1154 1 2 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.179 0.902 17850 1155 1 2 . 1 1 52 52 LEU H H 52 8.018 8.018 7.940 0.078 17850 1156 1 2 . 1 1 53 53 MET N N 53 117.391 117.391 118.945 -1.554 17850 1157 1 2 . 1 1 53 53 MET HA H 53 4.112 4.112 4.493 -0.381 17850 1158 1 2 . 1 1 53 53 MET CA C 53 57.472 57.472 57.603 -0.131 17850 1159 1 2 . 1 1 53 53 MET CB C 53 30.021 30.021 33.309 -3.288 17850 1160 1 2 . 1 1 53 53 MET H H 53 8.562 8.562 8.403 0.159 17850 1161 1 2 . 1 1 54 54 ASN N N 54 115.554 115.554 116.329 -0.775 17850 1162 1 2 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.734 -0.176 17850 1163 1 2 . 1 1 54 54 ASN C C 54 176.801 176.801 175.519 1.282 17850 1164 1 2 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.185 1.112 17850 1165 1 2 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.552 -1.395 17850 1166 1 2 . 1 1 54 54 ASN H H 54 8.204 8.204 7.811 0.393 17850 1167 1 2 . 1 1 55 55 GLU N N 55 117.659 117.659 115.635 2.024 17850 1168 1 2 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.395 -0.193 17850 1169 1 2 . 1 1 55 55 GLU C C 55 177.093 177.093 176.750 0.343 17850 1170 1 2 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.742 2.085 17850 1171 1 2 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.078 -0.058 17850 1172 1 2 . 1 1 55 55 GLU H H 55 7.617 7.617 7.260 0.357 17850 1173 1 2 . 1 1 56 56 ILE N N 56 117.618 117.618 123.126 -5.508 17850 1174 1 2 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.192 -0.308 17850 1175 1 2 . 1 1 56 56 ILE C C 56 176.029 176.029 177.276 -1.247 17850 1176 1 2 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.065 -0.251 17850 1177 1 2 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.170 1.758 17850 1178 1 2 . 1 1 56 56 ILE H H 56 7.472 7.472 7.889 -0.417 17850 1179 1 2 . 1 1 57 57 ASP N N 57 118.636 118.636 126.299 -7.663 17850 1180 1 2 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.606 -0.194 17850 1181 1 2 . 1 1 57 57 ASP C C 57 175.691 175.691 176.706 -1.015 17850 1182 1 2 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.019 -0.486 17850 1183 1 2 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.055 0.190 17850 1184 1 2 . 1 1 57 57 ASP H H 57 8.304 8.304 8.441 -0.137 17850 1185 1 2 . 1 1 58 58 VAL N N 58 126.376 126.376 117.566 8.810 17850 1186 1 2 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.156 -0.162 17850 1187 1 2 . 1 1 58 58 VAL C C 58 177.258 177.258 176.708 0.550 17850 1188 1 2 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.759 2.575 17850 1189 1 2 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.280 1.027 17850 1190 1 2 . 1 1 58 58 VAL H H 58 7.926 7.926 7.515 0.411 17850 1191 1 2 . 1 1 59 59 ASP N N 59 117.093 117.093 119.871 -2.778 17850 1192 1 2 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.264 0.293 17850 1193 1 2 . 1 1 59 59 ASP C C 59 177.759 177.759 176.962 0.797 17850 1194 1 2 . 1 1 59 59 ASP CA C 59 53.876 53.876 55.111 -1.235 17850 1195 1 2 . 1 1 59 59 ASP H H 59 8.363 8.363 8.396 -0.033 17850 1196 1 2 . 1 1 60 60 GLY N N 60 108.290 108.290 107.802 0.488 17850 1197 1 2 . 1 1 60 60 GLY C C 60 174.700 174.700 174.728 -0.028 17850 1198 1 2 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.043 3.077 17850 1199 1 2 . 1 1 60 60 GLY H H 60 7.636 7.636 8.963 -1.327 17850 1200 1 2 . 1 1 61 61 ASN N N 61 118.884 118.884 116.101 2.783 17850 1201 1 2 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.344 0.185 17850 1202 1 2 . 1 1 61 61 ASN C C 61 175.856 175.856 172.866 2.990 17850 1203 1 2 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.965 -2.605 17850 1204 1 2 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.789 0.388 17850 1205 1 2 . 1 1 61 61 ASN H H 61 8.078 8.078 8.753 -0.675 17850 1206 1 2 . 1 1 62 62 HIS N N 62 117.381 117.381 111.841 5.540 17850 1207 1 2 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.110 -1.233 17850 1208 1 2 . 1 1 62 62 HIS C C 62 172.310 172.310 173.096 -0.786 17850 1209 1 2 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.080 2.293 17850 1210 1 2 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.582 -8.848 17850 1211 1 2 . 1 1 62 62 HIS H H 62 9.958 9.958 8.248 1.710 17850 1212 1 2 . 1 1 63 63 GLN N N 63 112.906 112.906 118.208 -5.302 17850 1213 1 2 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.782 0.050 17850 1214 1 2 . 1 1 63 63 GLN C C 63 174.861 174.861 175.834 -0.973 17850 1215 1 2 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.216 -0.341 17850 1216 1 2 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.892 1.258 17850 1217 1 2 . 1 1 63 63 GLN H H 63 7.535 7.535 7.889 -0.354 17850 1218 1 2 . 1 1 64 64 ILE N N 64 124.083 124.083 126.257 -2.174 17850 1219 1 2 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.734 0.338 17850 1220 1 2 . 1 1 64 64 ILE C C 64 176.670 176.670 176.634 0.036 17850 1221 1 2 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.205 -0.534 17850 1222 1 2 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.133 -0.966 17850 1223 1 2 . 1 1 64 64 ILE H H 64 9.274 9.274 8.876 0.398 17850 1224 1 2 . 1 1 65 65 GLU N N 65 129.276 129.276 120.631 8.645 17850 1225 1 2 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.801 2.239 17850 1226 1 2 . 1 1 65 65 GLU C C 65 178.156 178.156 176.920 1.236 17850 1227 1 2 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.648 0.200 17850 1228 1 2 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.756 1.424 17850 1229 1 2 . 1 1 65 65 GLU H H 65 8.848 8.848 9.154 -0.306 17850 1230 1 2 . 1 1 66 66 PHE N N 66 124.260 124.260 119.174 5.086 17850 1231 1 2 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.940 -0.250 17850 1232 1 2 . 1 1 66 66 PHE C C 66 177.294 177.294 177.117 0.177 17850 1233 1 2 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.309 1.712 17850 1234 1 2 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.539 -0.585 17850 1235 1 2 . 1 1 66 66 PHE H H 66 9.353 9.353 8.168 1.185 17850 1236 1 2 . 1 1 67 67 SER N N 67 112.827 112.827 117.839 -5.012 17850 1237 1 2 . 1 1 67 67 SER HA H 67 3.726 3.726 4.097 -0.371 17850 1238 1 2 . 1 1 67 67 SER C C 67 177.352 177.352 176.520 0.832 17850 1239 1 2 . 1 1 67 67 SER CA C 67 61.581 61.581 61.258 0.323 17850 1240 1 2 . 1 1 67 67 SER CB C 67 61.379 61.379 62.922 -1.543 17850 1241 1 2 . 1 1 67 67 SER H H 67 9.035 9.035 8.371 0.664 17850 1242 1 2 . 1 1 68 68 GLU N N 68 123.071 123.071 120.329 2.742 17850 1243 1 2 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.968 0.167 17850 1244 1 2 . 1 1 68 68 GLU C C 68 178.895 178.895 177.965 0.930 17850 1245 1 2 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.098 -2.120 17850 1246 1 2 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.046 -0.769 17850 1247 1 2 . 1 1 68 68 GLU H H 68 6.829 6.829 8.502 -1.673 17850 1248 1 2 . 1 1 69 69 PHE N N 69 123.805 123.805 116.670 7.135 17850 1249 1 2 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.822 0.077 17850 1250 1 2 . 1 1 69 69 PHE C C 69 176.325 176.325 176.427 -0.102 17850 1251 1 2 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.053 1.373 17850 1252 1 2 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.590 2.838 17850 1253 1 2 . 1 1 69 69 PHE H H 69 8.245 8.245 7.362 0.883 17850 1254 1 2 . 1 1 70 70 LEU N N 70 119.210 119.210 118.896 0.314 17850 1255 1 2 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.892 -0.656 17850 1256 1 2 . 1 1 70 70 LEU C C 70 179.131 179.131 178.874 0.257 17850 1257 1 2 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.854 0.623 17850 1258 1 2 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.434 -0.105 17850 1259 1 2 . 1 1 70 70 LEU H H 70 8.788 8.788 7.371 1.417 17850 1260 1 2 . 1 1 71 71 ALA N N 71 121.612 121.612 122.329 -0.717 17850 1261 1 2 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.955 -0.046 17850 1262 1 2 . 1 1 71 71 ALA C C 71 179.804 179.804 179.449 0.355 17850 1263 1 2 . 1 1 71 71 ALA CA C 71 55.116 55.116 55.210 -0.094 17850 1264 1 2 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.079 -1.317 17850 1265 1 2 . 1 1 71 71 ALA H H 71 7.365 7.365 8.006 -0.641 17850 1266 1 2 . 1 1 72 72 LEU N N 72 118.944 118.944 118.791 0.153 17850 1267 1 2 . 1 1 72 72 LEU HA H 72 3.964 3.964 4.114 -0.150 17850 1268 1 2 . 1 1 72 72 LEU C C 72 178.415 178.415 177.418 0.997 17850 1269 1 2 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.716 1.101 17850 1270 1 2 . 1 1 72 72 LEU CB C 72 41.468 41.468 42.238 -0.770 17850 1271 1 2 . 1 1 72 72 LEU H H 72 7.142 7.142 7.538 -0.396 17850 1272 1 2 . 1 1 73 73 MET N N 73 114.500 114.500 115.074 -0.574 17850 1273 1 2 . 1 1 73 73 MET HA H 73 3.978 3.978 4.624 -0.646 17850 1274 1 2 . 1 1 73 73 MET C C 73 178.283 178.283 175.867 2.416 17850 1275 1 2 . 1 1 73 73 MET CA C 73 55.701 55.701 54.721 0.980 17850 1276 1 2 . 1 1 73 73 MET CB C 73 30.742 30.742 33.173 -2.431 17850 1277 1 2 . 1 1 73 73 MET H H 73 7.726 7.726 7.379 0.347 17850 1278 1 2 . 1 1 74 74 SER N N 74 112.626 112.626 117.094 -4.468 17850 1279 1 2 . 1 1 74 74 SER HA H 74 4.287 4.287 4.620 -0.333 17850 1280 1 2 . 1 1 74 74 SER C C 74 174.717 174.717 174.342 0.375 17850 1281 1 2 . 1 1 74 74 SER CA C 74 59.582 59.582 59.129 0.453 17850 1282 1 2 . 1 1 74 74 SER CB C 74 63.746 63.746 64.933 -1.187 17850 1283 1 2 . 1 1 74 74 SER H H 74 7.857 7.857 8.195 -0.338 17850 1284 1 2 . 1 1 75 75 ARG N N 75 122.130 122.130 123.093 -0.963 17850 1285 1 2 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.267 -0.120 17850 1286 1 2 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.403 1.372 17850 1287 1 2 . 1 1 75 75 ARG CB C 75 30.666 30.666 28.366 2.300 17850 1288 1 2 . 1 1 75 75 ARG H H 75 7.208 7.208 7.973 -0.765 17850 1289 1 2 . 1 1 76 76 GLN N N 76 121.749 121.749 114.850 6.899 17850 1290 1 2 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.698 -0.414 17850 1291 1 2 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.317 -0.124 17850 1292 1 2 . 1 1 76 76 GLN CB C 76 29.057 29.057 31.043 -1.986 17850 1293 1 2 . 1 1 76 76 GLN H H 76 8.327 8.327 8.013 0.314 17850 1294 1 2 . 1 1 77 77 LEU N N 77 124.093 124.093 123.087 1.006 17850 1295 1 2 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.581 -0.142 17850 1296 1 2 . 1 1 77 77 LEU C C 77 177.670 177.670 176.613 1.057 17850 1297 1 2 . 1 1 77 77 LEU CA C 77 55.283 55.283 54.744 0.539 17850 1298 1 2 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.163 -0.383 17850 1299 1 2 . 1 1 77 77 LEU H H 77 8.264 8.264 8.284 -0.020 17850 1300 1 2 . 1 1 78 78 LYS N N 78 121.053 121.053 119.660 1.393 17850 1301 1 2 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.447 -0.040 17850 1302 1 2 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.286 -1.101 17850 1303 1 2 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.320 -0.043 17850 1304 1 2 . 1 1 78 78 LYS H H 78 8.433 8.433 8.041 0.392 17850 1305 1 2 . 1 1 79 79 SER N N 79 116.423 116.423 118.064 -1.641 17850 1306 1 2 . 1 1 79 79 SER HA H 79 4.321 4.321 4.810 -0.489 17850 1307 1 2 . 1 1 79 79 SER C C 79 175.145 175.145 174.212 0.933 17850 1308 1 2 . 1 1 79 79 SER CA C 79 59.795 59.795 58.210 1.585 17850 1309 1 2 . 1 1 79 79 SER CB C 79 63.226 63.226 61.787 1.439 17850 1310 1 2 . 1 1 79 79 SER H H 79 8.448 8.448 8.639 -0.191 17850 1311 1 2 . 1 1 80 80 ASN N N 80 119.581 119.581 119.751 -0.170 17850 1312 1 2 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.617 0.082 17850 1313 1 2 . 1 1 80 80 ASN C C 80 175.726 175.726 177.117 -1.391 17850 1314 1 2 . 1 1 80 80 ASN CA C 80 54.413 54.413 54.972 -0.559 17850 1315 1 2 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.143 0.445 17850 1316 1 2 . 1 1 80 80 ASN H H 80 8.513 8.513 8.177 0.336 17850 1317 1 2 . 1 1 81 81 ASP N N 81 120.378 120.378 121.423 -1.045 17850 1318 1 2 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.371 0.259 17850 1319 1 2 . 1 1 81 81 ASP C C 81 177.281 177.281 178.078 -0.797 17850 1320 1 2 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.334 -1.742 17850 1321 1 2 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.267 1.339 17850 1322 1 2 . 1 1 81 81 ASP H H 81 7.957 7.957 8.626 -0.669 17850 1323 1 2 . 1 1 82 82 SER N N 82 117.046 117.046 115.714 1.332 17850 1324 1 2 . 1 1 82 82 SER HA H 82 4.194 4.194 3.912 0.282 17850 1325 1 2 . 1 1 82 82 SER C C 82 176.745 176.745 176.690 0.055 17850 1326 1 2 . 1 1 82 82 SER CA C 82 61.376 61.376 61.440 -0.064 17850 1327 1 2 . 1 1 82 82 SER CB C 82 62.896 62.896 62.689 0.207 17850 1328 1 2 . 1 1 82 82 SER H H 82 8.469 8.469 8.755 -0.286 17850 1329 1 2 . 1 1 83 83 GLU N N 83 122.405 122.405 119.335 3.070 17850 1330 1 2 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.037 0.063 17850 1331 1 2 . 1 1 83 83 GLU C C 83 178.740 178.740 178.724 0.016 17850 1332 1 2 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.775 -0.310 17850 1333 1 2 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.539 -0.135 17850 1334 1 2 . 1 1 83 83 GLU H H 83 8.357 8.357 8.513 -0.156 17850 1335 1 2 . 1 1 84 84 GLN N N 84 118.604 118.604 118.972 -0.368 17850 1336 1 2 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.157 -0.048 17850 1337 1 2 . 1 1 84 84 GLN C C 84 178.533 178.533 178.682 -0.149 17850 1338 1 2 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.333 0.134 17850 1339 1 2 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.100 0.321 17850 1340 1 2 . 1 1 84 84 GLN H H 84 7.988 7.988 7.716 0.272 17850 1341 1 2 . 1 1 85 85 GLU N N 85 119.418 119.418 120.520 -1.102 17850 1342 1 2 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.391 -0.449 17850 1343 1 2 . 1 1 85 85 GLU C C 85 178.250 178.250 178.513 -0.263 17850 1344 1 2 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.214 0.910 17850 1345 1 2 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.477 0.095 17850 1346 1 2 . 1 1 85 85 GLU H H 85 8.228 8.228 8.562 -0.334 17850 1347 1 2 . 1 1 86 86 LEU N N 86 120.010 120.010 117.558 2.452 17850 1348 1 2 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.181 -0.022 17850 1349 1 2 . 1 1 86 86 LEU C C 86 178.534 178.534 179.267 -0.733 17850 1350 1 2 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.631 -0.424 17850 1351 1 2 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.280 0.346 17850 1352 1 2 . 1 1 86 86 LEU H H 86 7.797 7.797 8.572 -0.775 17850 1353 1 2 . 1 1 87 87 LEU N N 87 119.111 119.111 120.313 -1.202 17850 1354 1 2 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.040 0.064 17850 1355 1 2 . 1 1 87 87 LEU C C 87 179.333 179.333 179.024 0.309 17850 1356 1 2 . 1 1 87 87 LEU CA C 87 58.243 58.243 57.975 0.268 17850 1357 1 2 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.992 -0.226 17850 1358 1 2 . 1 1 87 87 LEU H H 87 7.825 7.825 8.606 -0.781 17850 1359 1 2 . 1 1 88 88 GLU N N 88 117.514 117.514 118.940 -1.426 17850 1360 1 2 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.403 -0.302 17850 1361 1 2 . 1 1 88 88 GLU C C 88 179.461 179.461 178.731 0.730 17850 1362 1 2 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.163 -0.147 17850 1363 1 2 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.186 -0.516 17850 1364 1 2 . 1 1 88 88 GLU H H 88 8.265 8.265 8.548 -0.283 17850 1365 1 2 . 1 1 89 89 ALA N N 89 120.734 120.734 122.973 -2.239 17850 1366 1 2 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.140 1.027 17850 1367 1 2 . 1 1 89 89 ALA C C 89 178.362 178.362 178.177 0.185 17850 1368 1 2 . 1 1 89 89 ALA CA C 89 55.077 55.077 53.874 1.203 17850 1369 1 2 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.372 -1.389 17850 1370 1 2 . 1 1 89 89 ALA H H 89 8.192 8.192 8.180 0.012 17850 1371 1 2 . 1 1 90 90 PHE N N 90 119.339 119.339 118.253 1.086 17850 1372 1 2 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.989 -0.790 17850 1373 1 2 . 1 1 90 90 PHE C C 90 177.497 177.497 177.185 0.312 17850 1374 1 2 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.603 1.582 17850 1375 1 2 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.658 1.162 17850 1376 1 2 . 1 1 90 90 PHE H H 90 8.685 8.685 7.900 0.785 17850 1377 1 2 . 1 1 91 91 LYS N N 91 116.189 116.189 119.663 -3.474 17850 1378 1 2 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.051 -0.103 17850 1379 1 2 . 1 1 91 91 LYS C C 91 178.236 178.236 176.970 1.266 17850 1380 1 2 . 1 1 91 91 LYS CA C 91 59.514 59.514 58.413 1.101 17850 1381 1 2 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.666 0.205 17850 1382 1 2 . 1 1 91 91 LYS H H 91 8.112 8.112 8.230 -0.118 17850 1383 1 2 . 1 1 92 92 VAL N N 92 117.696 117.696 115.821 1.875 17850 1384 1 2 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.875 -0.303 17850 1385 1 2 . 1 1 92 92 VAL C C 92 176.545 176.545 176.568 -0.023 17850 1386 1 2 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.228 0.344 17850 1387 1 2 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.395 -0.969 17850 1388 1 2 . 1 1 92 92 VAL H H 92 7.383 7.383 7.319 0.064 17850 1389 1 2 . 1 1 93 93 PHE N N 93 114.826 114.826 117.729 -2.903 17850 1390 1 2 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.694 -0.467 17850 1391 1 2 . 1 1 93 93 PHE C C 93 176.417 176.417 176.285 0.132 17850 1392 1 2 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.761 0.839 17850 1393 1 2 . 1 1 93 93 PHE CB C 93 41.196 41.196 39.010 2.186 17850 1394 1 2 . 1 1 93 93 PHE H H 93 7.116 7.116 7.432 -0.316 17850 1395 1 2 . 1 1 94 94 ASP N N 94 116.753 116.753 125.345 -8.592 17850 1396 1 2 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.520 0.011 17850 1397 1 2 . 1 1 94 94 ASP C C 94 177.305 177.305 177.086 0.219 17850 1398 1 2 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.443 -2.972 17850 1399 1 2 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.429 -1.588 17850 1400 1 2 . 1 1 94 94 ASP H H 94 7.849 7.849 8.486 -0.637 17850 1401 1 2 . 1 1 95 95 LYS N N 95 125.185 125.185 119.357 5.828 17850 1402 1 2 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.164 -0.161 17850 1403 1 2 . 1 1 95 95 LYS C C 95 178.261 178.261 176.940 1.321 17850 1404 1 2 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.792 1.285 17850 1405 1 2 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.383 -1.192 17850 1406 1 2 . 1 1 95 95 LYS H H 95 7.755 7.755 7.840 -0.085 17850 1407 1 2 . 1 1 96 96 ASN N N 96 112.542 112.542 119.757 -7.215 17850 1408 1 2 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.377 0.408 17850 1409 1 2 . 1 1 96 96 ASN C C 96 176.469 176.469 174.540 1.929 17850 1410 1 2 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.967 -1.105 17850 1411 1 2 . 1 1 96 96 ASN H H 96 8.069 8.069 7.983 0.086 17850 1412 1 2 . 1 1 97 97 GLY N N 97 109.956 109.956 110.829 -0.873 17850 1413 1 2 . 1 1 97 97 GLY C C 97 175.032 175.032 175.778 -0.746 17850 1414 1 2 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.291 3.417 17850 1415 1 2 . 1 1 97 97 GLY H H 97 7.686 7.686 9.036 -1.350 17850 1416 1 2 . 1 1 98 98 ASP N N 98 119.383 119.383 120.303 -0.920 17850 1417 1 2 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.328 0.225 17850 1418 1 2 . 1 1 98 98 ASP C C 98 177.274 177.274 174.642 2.632 17850 1419 1 2 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.974 -1.640 17850 1420 1 2 . 1 1 98 98 ASP H H 98 8.249 8.249 8.100 0.149 17850 1421 1 2 . 1 1 99 99 GLY N N 99 112.398 112.398 105.479 6.919 17850 1422 1 2 . 1 1 99 99 GLY C C 99 173.128 173.128 174.030 -0.902 17850 1423 1 2 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.776 1.953 17850 1424 1 2 . 1 1 99 99 GLY H H 99 10.390 10.390 8.066 2.324 17850 1425 1 2 . 1 1 100 100 LEU N N 100 120.803 120.803 125.688 -4.885 17850 1426 1 2 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.685 0.580 17850 1427 1 2 . 1 1 100 100 LEU C C 100 176.427 176.427 177.424 -0.997 17850 1428 1 2 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.216 -2.440 17850 1429 1 2 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.730 4.471 17850 1430 1 2 . 1 1 100 100 LEU H H 100 7.987 7.987 9.027 -1.040 17850 1431 1 2 . 1 1 101 101 ILE N N 101 125.286 125.286 127.948 -2.662 17850 1432 1 2 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.371 0.351 17850 1433 1 2 . 1 1 101 101 ILE C C 101 175.432 175.432 176.991 -1.559 17850 1434 1 2 . 1 1 101 101 ILE CA C 101 60.249 60.249 61.014 -0.765 17850 1435 1 2 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.562 -0.498 17850 1436 1 2 . 1 1 101 101 ILE H H 101 9.698 9.698 8.290 1.408 17850 1437 1 2 . 1 1 102 102 SER N N 102 123.133 123.133 118.057 5.076 17850 1438 1 2 . 1 1 102 102 SER HA H 102 4.969 4.969 4.114 0.855 17850 1439 1 2 . 1 1 102 102 SER C C 102 175.298 175.298 176.004 -0.706 17850 1440 1 2 . 1 1 102 102 SER CA C 102 55.994 55.994 61.971 -5.978 17850 1441 1 2 . 1 1 102 102 SER CB C 102 66.456 66.456 62.428 4.028 17850 1442 1 2 . 1 1 102 102 SER H H 102 9.095 9.095 8.823 0.272 17850 1443 1 2 . 1 1 103 103 ALA N N 103 122.886 122.886 122.092 0.794 17850 1444 1 2 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.846 0.043 17850 1445 1 2 . 1 1 103 103 ALA C C 103 179.237 179.237 179.744 -0.507 17850 1446 1 2 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.353 0.729 17850 1447 1 2 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.849 0.208 17850 1448 1 2 . 1 1 103 103 ALA H H 103 8.691 8.691 8.662 0.029 17850 1449 1 2 . 1 1 104 104 ALA N N 104 118.317 118.317 120.034 -1.717 17850 1450 1 2 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.709 0.365 17850 1451 1 2 . 1 1 104 104 ALA C C 104 181.451 181.451 178.977 2.474 17850 1452 1 2 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.597 0.688 17850 1453 1 2 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.442 -0.007 17850 1454 1 2 . 1 1 104 104 ALA H H 104 8.392 8.392 8.222 0.170 17850 1455 1 2 . 1 1 105 105 GLU N N 105 120.398 120.398 118.059 2.339 17850 1456 1 2 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.750 -0.690 17850 1457 1 2 . 1 1 105 105 GLU C C 105 179.223 179.223 177.420 1.803 17850 1458 1 2 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.759 -0.296 17850 1459 1 2 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.091 -0.940 17850 1460 1 2 . 1 1 105 105 GLU H H 105 7.879 7.879 8.288 -0.409 17850 1461 1 2 . 1 1 106 106 LEU N N 106 120.023 120.023 120.023 0.000 17850 1462 1 2 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.898 0.265 17850 1463 1 2 . 1 1 106 106 LEU C C 106 178.503 178.503 178.940 -0.437 17850 1464 1 2 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.452 0.237 17850 1465 1 2 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.922 1.365 17850 1466 1 2 . 1 1 106 106 LEU H H 106 8.479 8.479 8.688 -0.209 17850 1467 1 2 . 1 1 107 107 LYS N N 107 117.064 117.064 120.189 -3.125 17850 1468 1 2 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.873 -0.055 17850 1469 1 2 . 1 1 107 107 LYS C C 107 179.039 179.039 178.551 0.488 17850 1470 1 2 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.375 0.933 17850 1471 1 2 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.077 0.813 17850 1472 1 2 . 1 1 107 107 LYS H H 107 8.758 8.758 8.403 0.355 17850 1473 1 2 . 1 1 108 108 HIS N N 108 119.125 119.125 118.178 0.947 17850 1474 1 2 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.590 0.726 17850 1475 1 2 . 1 1 108 108 HIS C C 108 178.394 178.394 177.135 1.259 17850 1476 1 2 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.059 1.129 17850 1477 1 2 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.840 1.652 17850 1478 1 2 . 1 1 108 108 HIS H H 108 8.287 8.287 7.568 0.719 17850 1479 1 2 . 1 1 109 109 VAL N N 109 119.525 119.525 119.786 -0.261 17850 1480 1 2 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.871 -0.386 17850 1481 1 2 . 1 1 109 109 VAL C C 109 178.246 178.246 177.727 0.519 17850 1482 1 2 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.105 1.605 17850 1483 1 2 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.587 0.985 17850 1484 1 2 . 1 1 109 109 VAL H H 109 7.915 7.915 8.440 -0.525 17850 1485 1 2 . 1 1 110 110 LEU N N 110 117.403 117.403 118.228 -0.825 17850 1486 1 2 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.311 -0.332 17850 1487 1 2 . 1 1 110 110 LEU C C 110 178.968 178.968 177.677 1.291 17850 1488 1 2 . 1 1 110 110 LEU CA C 110 58.218 58.218 56.913 1.305 17850 1489 1 2 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.620 -1.092 17850 1490 1 2 . 1 1 110 110 LEU H H 110 8.269 8.269 8.079 0.190 17850 1491 1 2 . 1 1 111 111 THR N N 111 114.122 114.122 114.557 -0.435 17850 1492 1 2 . 1 1 111 111 THR HA H 111 4.184 4.184 4.148 0.036 17850 1493 1 2 . 1 1 111 111 THR C C 111 178.534 178.534 174.700 3.834 17850 1494 1 2 . 1 1 111 111 THR CA C 111 66.252 66.252 63.540 2.712 17850 1495 1 2 . 1 1 111 111 THR CB C 111 68.851 68.851 69.044 -0.193 17850 1496 1 2 . 1 1 111 111 THR H H 111 8.441 8.441 7.529 0.912 17850 1497 1 2 . 1 1 112 112 SER N N 112 119.981 119.981 106.535 13.446 17850 1498 1 2 . 1 1 112 112 SER HA H 112 4.215 4.215 4.719 -0.504 17850 1499 1 2 . 1 1 112 112 SER C C 112 175.523 175.523 174.829 0.694 17850 1500 1 2 . 1 1 112 112 SER CA C 112 62.197 62.197 58.149 4.048 17850 1501 1 2 . 1 1 112 112 SER CB C 112 62.936 62.936 65.224 -2.288 17850 1502 1 2 . 1 1 112 112 SER H H 112 7.910 7.910 7.121 0.789 17850 1503 1 2 . 1 1 113 113 ILE N N 113 112.726 112.726 119.362 -6.636 17850 1504 1 2 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.935 0.549 17850 1505 1 2 . 1 1 113 113 ILE C C 113 175.636 175.636 175.723 -0.087 17850 1506 1 2 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.365 -0.610 17850 1507 1 2 . 1 1 113 113 ILE H H 113 7.473 7.473 7.460 0.013 17850 1508 1 2 . 1 1 114 114 GLY N N 114 108.354 108.354 112.689 -4.335 17850 1509 1 2 . 1 1 114 114 GLY C C 114 174.583 174.583 174.219 0.364 17850 1510 1 2 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.576 0.274 17850 1511 1 2 . 1 1 114 114 GLY H H 114 7.652 7.652 8.045 -0.393 17850 1512 1 2 . 1 1 115 115 GLU N N 115 120.283 120.283 125.515 -5.232 17850 1513 1 2 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.521 -0.216 17850 1514 1 2 . 1 1 115 115 GLU C C 115 175.444 175.444 175.583 -0.139 17850 1515 1 2 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.250 -0.118 17850 1516 1 2 . 1 1 115 115 GLU CB C 115 30.250 30.250 29.244 1.006 17850 1517 1 2 . 1 1 115 115 GLU H H 115 8.045 8.045 8.299 -0.254 17850 1518 1 2 . 1 1 116 116 LYS N N 116 124.370 124.370 125.765 -1.395 17850 1519 1 2 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.539 -0.117 17850 1520 1 2 . 1 1 116 116 LYS C C 116 175.287 175.287 176.553 -1.266 17850 1521 1 2 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.024 0.611 17850 1522 1 2 . 1 1 116 116 LYS CB C 116 32.142 32.142 34.270 -2.128 17850 1523 1 2 . 1 1 116 116 LYS H H 116 8.571 8.571 8.211 0.360 17850 1524 1 2 . 1 1 117 117 LEU N N 117 125.492 125.492 118.704 6.788 17850 1525 1 2 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.263 0.521 17850 1526 1 2 . 1 1 117 117 LEU C C 117 177.161 177.161 177.400 -0.239 17850 1527 1 2 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.986 0.247 17850 1528 1 2 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.625 1.373 17850 1529 1 2 . 1 1 117 117 LEU H H 117 8.042 8.042 8.317 -0.275 17850 1530 1 2 . 1 1 118 118 THR N N 118 113.255 113.255 114.665 -1.410 17850 1531 1 2 . 1 1 118 118 THR HA H 118 4.497 4.497 4.238 0.259 17850 1532 1 2 . 1 1 118 118 THR C C 118 175.335 175.335 175.549 -0.214 17850 1533 1 2 . 1 1 118 118 THR CA C 118 60.434 60.434 65.823 -5.389 17850 1534 1 2 . 1 1 118 118 THR CB C 118 71.193 71.193 68.549 2.644 17850 1535 1 2 . 1 1 118 118 THR H H 118 8.995 8.995 8.687 0.308 17850 1536 1 2 . 1 1 119 119 ASP N N 119 120.837 120.837 120.485 0.352 17850 1537 1 2 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.643 -0.411 17850 1538 1 2 . 1 1 119 119 ASP C C 119 178.422 178.422 178.382 0.040 17850 1539 1 2 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.674 1.423 17850 1540 1 2 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.730 -0.755 17850 1541 1 2 . 1 1 119 119 ASP H H 119 8.743 8.743 7.947 0.796 17850 1542 1 2 . 1 1 120 120 ALA N N 120 121.309 121.309 121.234 0.075 17850 1543 1 2 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.114 0.052 17850 1544 1 2 . 1 1 120 120 ALA C C 120 179.796 179.796 179.985 -0.189 17850 1545 1 2 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.329 0.699 17850 1546 1 2 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.760 -0.440 17850 1547 1 2 . 1 1 120 120 ALA H H 120 8.304 8.304 7.816 0.488 17850 1548 1 2 . 1 1 121 121 GLU N N 121 118.068 118.068 120.280 -2.212 17850 1549 1 2 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.036 0.021 17850 1550 1 2 . 1 1 121 121 GLU C C 121 180.035 180.035 176.928 3.107 17850 1551 1 2 . 1 1 121 121 GLU CA C 121 59.238 59.238 59.941 -0.703 17850 1552 1 2 . 1 1 121 121 GLU CB C 121 30.429 30.429 30.363 0.066 17850 1553 1 2 . 1 1 121 121 GLU H H 121 7.705 7.705 8.058 -0.353 17850 1554 1 2 . 1 1 122 122 VAL N N 122 120.636 120.636 118.001 2.635 17850 1555 1 2 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.823 -0.286 17850 1556 1 2 . 1 1 122 122 VAL C C 122 177.120 177.120 177.402 -0.282 17850 1557 1 2 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.754 1.288 17850 1558 1 2 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.809 -0.417 17850 1559 1 2 . 1 1 122 122 VAL H H 122 7.935 7.935 7.722 0.213 17850 1560 1 2 . 1 1 123 123 ASP N N 123 120.336 120.336 118.427 1.909 17850 1561 1 2 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.539 -0.236 17850 1562 1 2 . 1 1 123 123 ASP C C 123 179.023 179.023 177.728 1.295 17850 1563 1 2 . 1 1 123 123 ASP CA C 123 57.943 57.943 55.898 2.045 17850 1564 1 2 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.299 -0.628 17850 1565 1 2 . 1 1 123 123 ASP H H 123 8.204 8.204 7.646 0.558 17850 1566 1 2 . 1 1 124 124 ASP N N 124 118.890 118.890 120.111 -1.221 17850 1567 1 2 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.641 -0.301 17850 1568 1 2 . 1 1 124 124 ASP C C 124 178.527 178.527 178.351 0.176 17850 1569 1 2 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.719 0.804 17850 1570 1 2 . 1 1 124 124 ASP CB C 124 40.820 40.820 41.024 -0.204 17850 1571 1 2 . 1 1 124 124 ASP H H 124 8.272 8.272 7.914 0.358 17850 1572 1 2 . 1 1 125 125 MET N N 125 119.365 119.365 118.817 0.548 17850 1573 1 2 . 1 1 125 125 MET HA H 125 4.091 4.091 4.084 0.007 17850 1574 1 2 . 1 1 125 125 MET C C 125 178.021 178.021 178.023 -0.002 17850 1575 1 2 . 1 1 125 125 MET CA C 125 59.205 59.205 58.296 0.909 17850 1576 1 2 . 1 1 125 125 MET CB C 125 33.281 33.281 31.821 1.460 17850 1577 1 2 . 1 1 125 125 MET H H 125 7.750 7.750 8.748 -0.998 17850 1578 1 2 . 1 1 126 126 LEU N N 126 117.193 117.193 118.115 -0.922 17850 1579 1 2 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.975 -0.051 17850 1580 1 2 . 1 1 126 126 LEU C C 126 180.267 180.267 179.347 0.920 17850 1581 1 2 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.601 0.201 17850 1582 1 2 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.402 0.212 17850 1583 1 2 . 1 1 126 126 LEU H H 126 8.152 8.152 7.725 0.427 17850 1584 1 2 . 1 1 127 127 ARG N N 127 120.792 120.792 117.862 2.930 17850 1585 1 2 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.012 0.029 17850 1586 1 2 . 1 1 127 127 ARG C C 127 178.027 178.027 177.577 0.450 17850 1587 1 2 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.623 0.658 17850 1588 1 2 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.513 -0.514 17850 1589 1 2 . 1 1 127 127 ARG H H 127 8.335 8.335 7.581 0.754 17850 1590 1 2 . 1 1 128 128 GLU N N 128 117.142 117.142 111.548 5.594 17850 1591 1 2 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.610 -0.504 17850 1592 1 2 . 1 1 128 128 GLU C C 128 178.618 178.618 175.711 2.907 17850 1593 1 2 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.388 3.817 17850 1594 1 2 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.727 -0.333 17850 1595 1 2 . 1 1 128 128 GLU H H 128 7.667 7.667 8.092 -0.425 17850 1596 1 2 . 1 1 129 129 VAL N N 129 108.345 108.345 118.254 -9.909 17850 1597 1 2 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.150 0.337 17850 1598 1 2 . 1 1 129 129 VAL C C 129 175.591 175.591 176.563 -0.972 17850 1599 1 2 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.290 -0.627 17850 1600 1 2 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.837 0.172 17850 1601 1 2 . 1 1 129 129 VAL H H 129 7.470 7.470 7.831 -0.361 17850 1602 1 2 . 1 1 130 130 SER N N 130 115.012 115.012 117.958 -2.946 17850 1603 1 2 . 1 1 130 130 SER HA H 130 4.670 4.670 4.112 0.558 17850 1604 1 2 . 1 1 130 130 SER C C 130 174.414 174.414 174.275 0.139 17850 1605 1 2 . 1 1 130 130 SER CA C 130 58.067 58.067 59.640 -1.573 17850 1606 1 2 . 1 1 130 130 SER CB C 130 65.814 65.814 61.956 3.858 17850 1607 1 2 . 1 1 130 130 SER H H 130 7.858 7.858 7.810 0.048 17850 1608 1 2 . 1 1 131 131 ASP N N 131 120.972 120.972 116.264 4.708 17850 1609 1 2 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.280 0.286 17850 1610 1 2 . 1 1 131 131 ASP C C 131 176.676 176.676 175.083 1.593 17850 1611 1 2 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.809 -0.026 17850 1612 1 2 . 1 1 131 131 ASP H H 131 8.478 8.478 8.138 0.340 17850 1613 1 2 . 1 1 132 132 GLY N N 132 105.512 105.512 108.461 -2.949 17850 1614 1 2 . 1 1 132 132 GLY C C 132 174.924 174.924 175.001 -0.077 17850 1615 1 2 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.286 -0.616 17850 1616 1 2 . 1 1 132 132 GLY H H 132 8.352 8.352 7.881 0.471 17850 1617 1 2 . 1 1 133 133 SER N N 133 116.718 116.718 114.139 2.579 17850 1618 1 2 . 1 1 133 133 SER HA H 133 4.435 4.435 4.430 0.005 17850 1619 1 2 . 1 1 133 133 SER C C 133 175.404 175.404 172.521 2.883 17850 1620 1 2 . 1 1 133 133 SER CA C 133 59.340 59.340 58.176 1.164 17850 1621 1 2 . 1 1 133 133 SER H H 133 8.104 8.104 8.590 -0.486 17850 1622 1 2 . 1 1 134 134 GLY N N 134 109.601 109.601 107.644 1.957 17850 1623 1 2 . 1 1 134 134 GLY C C 134 172.547 172.547 172.899 -0.352 17850 1624 1 2 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.148 2.675 17850 1625 1 2 . 1 1 134 134 GLY H H 134 8.555 8.555 7.416 1.139 17850 1626 1 2 . 1 1 135 135 GLU N N 135 117.166 117.166 116.555 0.611 17850 1627 1 2 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.907 0.120 17850 1628 1 2 . 1 1 135 135 GLU C C 135 175.280 175.280 174.950 0.330 17850 1629 1 2 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.729 0.006 17850 1630 1 2 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.952 0.922 17850 1631 1 2 . 1 1 135 135 GLU H H 135 7.641 7.641 8.161 -0.520 17850 1632 1 2 . 1 1 136 136 ILE N N 136 114.256 114.256 126.441 -12.185 17850 1633 1 2 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.907 0.169 17850 1634 1 2 . 1 1 136 136 ILE C C 136 175.228 175.228 177.113 -1.885 17850 1635 1 2 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.516 -0.118 17850 1636 1 2 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.115 2.537 17850 1637 1 2 . 1 1 136 136 ILE H H 136 8.565 8.565 8.463 0.102 17850 1638 1 2 . 1 1 137 137 ASN N N 137 121.842 121.842 118.230 3.612 17850 1639 1 2 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.532 1.733 17850 1640 1 2 . 1 1 137 137 ASN C C 137 176.835 176.835 176.185 0.650 17850 1641 1 2 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.379 -3.352 17850 1642 1 2 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.580 2.133 17850 1643 1 2 . 1 1 137 137 ASN H H 137 8.767 8.767 8.508 0.259 17850 1644 1 2 . 1 1 138 138 ILE N N 138 118.075 118.075 118.079 -0.004 17850 1645 1 2 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.933 -0.181 17850 1646 1 2 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.043 0.729 17850 1647 1 2 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.747 0.806 17850 1648 1 2 . 1 1 138 138 ILE H H 138 8.418 8.418 8.397 0.021 17850 1649 1 2 . 1 1 139 139 GLN N N 139 122.926 122.926 119.897 3.029 17850 1650 1 2 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.057 0.069 17850 1651 1 2 . 1 1 139 139 GLN C C 139 179.886 179.886 178.744 1.142 17850 1652 1 2 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.728 0.858 17850 1653 1 2 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.526 -0.741 17850 1654 1 2 . 1 1 139 139 GLN H H 139 7.632 7.632 7.922 -0.290 17850 1655 1 2 . 1 1 140 140 GLN N N 140 121.813 121.813 120.911 0.902 17850 1656 1 2 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.771 0.390 17850 1657 1 2 . 1 1 140 140 GLN C C 140 178.284 178.284 177.357 0.927 17850 1658 1 2 . 1 1 140 140 GLN CA C 140 58.216 58.216 59.090 -0.874 17850 1659 1 2 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.455 -0.017 17850 1660 1 2 . 1 1 140 140 GLN H H 140 8.416 8.416 8.873 -0.457 17850 1661 1 2 . 1 1 141 141 PHE N N 141 121.732 121.732 118.044 3.688 17850 1662 1 2 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.699 0.453 17850 1663 1 2 . 1 1 141 141 PHE C C 141 176.273 176.273 176.940 -0.667 17850 1664 1 2 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.393 0.567 17850 1665 1 2 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.032 2.029 17850 1666 1 2 . 1 1 141 141 PHE H H 141 9.030 9.030 8.100 0.930 17850 1667 1 2 . 1 1 142 142 ALA N N 142 119.852 119.852 121.247 -1.395 17850 1668 1 2 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.959 -0.156 17850 1669 1 2 . 1 1 142 142 ALA C C 142 180.733 180.733 180.105 0.628 17850 1670 1 2 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.554 0.656 17850 1671 1 2 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.108 -0.206 17850 1672 1 2 . 1 1 142 142 ALA H H 142 8.399 8.399 7.960 0.439 17850 1673 1 2 . 1 1 143 143 ALA N N 143 120.555 120.555 119.775 0.780 17850 1674 1 2 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.913 0.201 17850 1675 1 2 . 1 1 143 143 ALA C C 143 180.455 180.455 178.709 1.746 17850 1676 1 2 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.718 0.295 17850 1677 1 2 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.038 -1.189 17850 1678 1 2 . 1 1 143 143 ALA H H 143 7.627 7.627 7.511 0.116 17850 1679 1 2 . 1 1 144 144 LEU N N 144 121.054 121.054 113.868 7.186 17850 1680 1 2 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.114 -0.181 17850 1681 1 2 . 1 1 144 144 LEU C C 144 177.756 177.756 176.533 1.223 17850 1682 1 2 . 1 1 144 144 LEU CA C 144 57.696 57.696 54.632 3.064 17850 1683 1 2 . 1 1 144 144 LEU CB C 144 41.838 41.838 40.783 1.055 17850 1684 1 2 . 1 1 144 144 LEU H H 144 8.029 8.029 6.998 1.031 17850 1685 1 2 . 1 1 145 145 LEU N N 145 115.288 115.288 119.787 -4.499 17850 1686 1 2 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.420 -0.447 17850 1687 1 2 . 1 1 145 145 LEU C C 145 177.284 177.284 176.335 0.949 17850 1688 1 2 . 1 1 145 145 LEU CA C 145 55.284 55.284 56.015 -0.731 17850 1689 1 2 . 1 1 145 145 LEU CB C 145 41.610 41.610 43.804 -2.194 17850 1690 1 2 . 1 1 145 145 LEU H H 145 7.309 7.309 7.767 -0.458 17850 1691 1 2 . 1 1 146 146 SER N N 146 114.503 114.503 116.032 -1.529 17850 1692 1 2 . 1 1 146 146 SER HA H 146 4.346 4.346 4.465 -0.119 17850 1693 1 2 . 1 1 146 146 SER C C 146 175.125 175.125 175.184 -0.059 17850 1694 1 2 . 1 1 146 146 SER CA C 146 59.046 59.046 57.864 1.181 17850 1695 1 2 . 1 1 146 146 SER CB C 146 64.181 64.181 63.938 0.243 17850 1696 1 2 . 1 1 146 146 SER H H 146 7.506 7.506 7.880 -0.374 17850 1697 1 2 . 1 1 147 147 LYS N N 147 123.315 123.315 119.526 3.789 17850 1698 1 2 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.097 0.070 17850 1699 1 2 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.062 1.620 17850 1700 1 2 . 1 1 147 147 LYS H H 147 8.329 8.329 8.246 0.083 17850 1701 1 2 . 1 1 148 148 GLY N N 148 108.566 108.566 110.359 -1.793 17850 1702 1 2 . 1 1 148 148 GLY C C 148 174.394 174.394 173.415 0.979 17850 1703 1 2 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.220 0.308 17850 1704 1 2 . 1 1 148 148 GLY H H 148 8.353 8.353 8.179 0.174 17850 1705 1 2 . 1 1 149 149 SER N N 149 115.356 115.356 118.030 -2.674 17850 1706 1 2 . 1 1 149 149 SER HA H 149 4.484 4.484 4.193 0.291 17850 1707 1 2 . 1 1 149 149 SER C C 149 175.038 175.038 173.437 1.601 17850 1708 1 2 . 1 1 149 149 SER CA C 149 58.418 58.418 58.790 -0.372 17850 1709 1 2 . 1 1 149 149 SER CB C 149 64.171 64.171 63.022 1.149 17850 1710 1 2 . 1 1 149 149 SER H H 149 7.993 7.993 8.580 -0.587 17850 1711 1 2 . 1 1 150 150 SER N N 150 118.028 118.028 114.395 3.633 17850 1712 1 2 . 1 1 150 150 SER HA H 150 4.490 4.490 4.671 -0.181 17850 1713 1 2 . 1 1 150 150 SER C C 150 175.034 175.034 174.297 0.737 17850 1714 1 2 . 1 1 150 150 SER CA C 150 59.029 59.029 56.995 2.034 17850 1715 1 2 . 1 1 150 150 SER CB C 150 63.407 63.407 63.042 0.365 17850 1716 1 2 . 1 1 150 150 SER H H 150 8.530 8.530 7.958 0.572 17850 1717 1 3 . 1 1 1 1 GLY N N 1 109.911 109.911 111.655 -1.744 17850 1718 1 3 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.950 0.486 17850 1719 1 3 . 1 1 1 1 GLY H H 1 8.410 8.410 8.288 0.122 17850 1720 1 3 . 1 1 2 2 SER N N 2 115.579 115.579 121.042 -5.463 17850 1721 1 3 . 1 1 2 2 SER HA H 2 4.474 4.474 4.382 0.092 17850 1722 1 3 . 1 1 2 2 SER C C 2 174.661 174.661 174.955 -0.294 17850 1723 1 3 . 1 1 2 2 SER CA C 2 58.374 58.374 58.543 -0.169 17850 1724 1 3 . 1 1 2 2 SER CB C 2 63.986 63.986 63.038 0.948 17850 1725 1 3 . 1 1 2 2 SER H H 2 8.207 8.207 8.771 -0.564 17850 1726 1 3 . 1 1 3 3 SER N N 3 117.154 117.154 119.752 -2.598 17850 1727 1 3 . 1 1 3 3 SER HA H 3 4.439 4.439 4.500 -0.061 17850 1728 1 3 . 1 1 3 3 SER C C 3 174.122 174.122 174.407 -0.285 17850 1729 1 3 . 1 1 3 3 SER CA C 3 58.695 58.695 57.660 1.035 17850 1730 1 3 . 1 1 3 3 SER CB C 3 63.865 63.865 63.817 0.048 17850 1731 1 3 . 1 1 3 3 SER H H 3 8.337 8.337 8.349 -0.012 17850 1732 1 3 . 1 1 4 4 ASN N N 4 120.145 120.145 118.422 1.723 17850 1733 1 3 . 1 1 4 4 ASN HA H 4 4.726 4.726 4.954 -0.228 17850 1734 1 3 . 1 1 4 4 ASN C C 4 174.741 174.741 175.553 -0.812 17850 1735 1 3 . 1 1 4 4 ASN CA C 4 53.326 53.326 53.766 -0.440 17850 1736 1 3 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.910 -1.108 17850 1737 1 3 . 1 1 4 4 ASN H H 4 8.432 8.432 7.968 0.464 17850 1738 1 3 . 1 1 5 5 LEU N N 5 121.341 121.341 118.382 2.959 17850 1739 1 3 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.744 -0.065 17850 1740 1 3 . 1 1 5 5 LEU C C 5 177.641 177.641 177.771 -0.130 17850 1741 1 3 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.343 2.122 17850 1742 1 3 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.441 -0.728 17850 1743 1 3 . 1 1 5 5 LEU H H 5 7.966 7.966 8.031 -0.065 17850 1744 1 3 . 1 1 6 6 THR N N 6 113.168 113.168 116.506 -3.338 17850 1745 1 3 . 1 1 6 6 THR HA H 6 4.470 4.470 3.914 0.556 17850 1746 1 3 . 1 1 6 6 THR C C 6 175.390 175.390 176.460 -1.070 17850 1747 1 3 . 1 1 6 6 THR CA C 6 60.543 60.543 65.419 -4.876 17850 1748 1 3 . 1 1 6 6 THR CB C 6 71.190 71.190 68.440 2.750 17850 1749 1 3 . 1 1 6 6 THR H H 6 8.716 8.716 8.905 -0.189 17850 1750 1 3 . 1 1 7 7 GLU N N 7 120.480 120.480 119.592 0.888 17850 1751 1 3 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.078 -0.093 17850 1752 1 3 . 1 1 7 7 GLU C C 7 179.475 179.475 179.464 0.011 17850 1753 1 3 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.897 1.177 17850 1754 1 3 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.363 -0.070 17850 1755 1 3 . 1 1 7 7 GLU H H 7 8.997 8.997 7.816 1.181 17850 1756 1 3 . 1 1 8 8 GLU N N 8 119.766 119.766 119.312 0.454 17850 1757 1 3 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.054 0.033 17850 1758 1 3 . 1 1 8 8 GLU C C 8 178.641 178.641 179.188 -0.547 17850 1759 1 3 . 1 1 8 8 GLU CA C 8 59.835 59.835 59.025 0.810 17850 1760 1 3 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.332 0.066 17850 1761 1 3 . 1 1 8 8 GLU H H 8 8.603 8.603 7.748 0.855 17850 1762 1 3 . 1 1 9 9 GLN N N 9 119.234 119.234 116.221 3.013 17850 1763 1 3 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.492 -0.563 17850 1764 1 3 . 1 1 9 9 GLN C C 9 178.969 178.969 177.931 1.038 17850 1765 1 3 . 1 1 9 9 GLN CA C 9 58.718 58.718 55.673 3.045 17850 1766 1 3 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.663 2.919 17850 1767 1 3 . 1 1 9 9 GLN H H 9 7.730 7.730 8.103 -0.373 17850 1768 1 3 . 1 1 10 10 ILE N N 10 119.661 119.661 118.680 0.981 17850 1769 1 3 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.122 -0.359 17850 1770 1 3 . 1 1 10 10 ILE C C 10 178.040 178.040 177.544 0.496 17850 1771 1 3 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.602 2.619 17850 1772 1 3 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.626 0.326 17850 1773 1 3 . 1 1 10 10 ILE H H 10 8.398 8.398 8.174 0.224 17850 1774 1 3 . 1 1 11 11 ALA N N 11 121.678 121.678 122.847 -1.169 17850 1775 1 3 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.054 0.079 17850 1776 1 3 . 1 1 11 11 ALA C C 11 181.140 181.140 179.989 1.151 17850 1777 1 3 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.166 1.288 17850 1778 1 3 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.476 -0.564 17850 1779 1 3 . 1 1 11 11 ALA H H 11 8.037 8.037 7.360 0.677 17850 1780 1 3 . 1 1 12 12 GLU N N 12 118.175 118.175 118.136 0.039 17850 1781 1 3 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.304 -0.186 17850 1782 1 3 . 1 1 12 12 GLU C C 12 180.185 180.185 179.018 1.167 17850 1783 1 3 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.500 -0.305 17850 1784 1 3 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.786 0.593 17850 1785 1 3 . 1 1 12 12 GLU H H 12 7.869 7.869 7.425 0.444 17850 1786 1 3 . 1 1 13 13 PHE N N 13 119.011 119.011 119.107 -0.096 17850 1787 1 3 . 1 1 13 13 PHE HA H 13 4.890 4.890 3.966 0.924 17850 1788 1 3 . 1 1 13 13 PHE C C 13 178.486 178.486 178.284 0.202 17850 1789 1 3 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.501 -1.052 17850 1790 1 3 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.300 0.598 17850 1791 1 3 . 1 1 13 13 PHE H H 13 8.429 8.429 7.937 0.492 17850 1792 1 3 . 1 1 14 14 LYS N N 14 123.459 123.459 118.489 4.970 17850 1793 1 3 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.079 -0.047 17850 1794 1 3 . 1 1 14 14 LYS C C 14 179.131 179.131 178.835 0.296 17850 1795 1 3 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.071 1.419 17850 1796 1 3 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.202 -0.289 17850 1797 1 3 . 1 1 14 14 LYS H H 14 8.925 8.925 8.341 0.584 17850 1798 1 3 . 1 1 15 15 GLU N N 15 119.581 119.581 118.575 1.006 17850 1799 1 3 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.271 -0.103 17850 1800 1 3 . 1 1 15 15 GLU C C 15 179.163 179.163 178.017 1.146 17850 1801 1 3 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.936 0.449 17850 1802 1 3 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.330 0.057 17850 1803 1 3 . 1 1 15 15 GLU H H 15 8.064 8.064 7.826 0.238 17850 1804 1 3 . 1 1 16 16 ALA N N 16 120.993 120.993 121.044 -0.051 17850 1805 1 3 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.514 0.728 17850 1806 1 3 . 1 1 16 16 ALA C C 16 177.628 177.628 178.269 -0.641 17850 1807 1 3 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.747 2.438 17850 1808 1 3 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.275 -1.351 17850 1809 1 3 . 1 1 16 16 ALA H H 16 7.801 7.801 7.946 -0.145 17850 1810 1 3 . 1 1 17 17 PHE N N 17 118.745 118.745 120.072 -1.327 17850 1811 1 3 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.479 -1.125 17850 1812 1 3 . 1 1 17 17 PHE C C 17 177.500 177.500 177.277 0.223 17850 1813 1 3 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.285 1.415 17850 1814 1 3 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.142 1.836 17850 1815 1 3 . 1 1 17 17 PHE H H 17 8.469 8.469 7.743 0.726 17850 1816 1 3 . 1 1 18 18 ALA N N 18 119.942 119.942 118.045 1.897 17850 1817 1 3 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.622 0.388 17850 1818 1 3 . 1 1 18 18 ALA C C 18 178.535 178.535 178.913 -0.378 17850 1819 1 3 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.427 -0.011 17850 1820 1 3 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.189 0.298 17850 1821 1 3 . 1 1 18 18 ALA H H 18 8.187 8.187 7.213 0.974 17850 1822 1 3 . 1 1 19 19 LEU N N 19 116.851 116.851 114.553 2.298 17850 1823 1 3 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.318 -0.358 17850 1824 1 3 . 1 1 19 19 LEU C C 19 176.795 176.795 177.659 -0.864 17850 1825 1 3 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.780 2.655 17850 1826 1 3 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.065 -1.383 17850 1827 1 3 . 1 1 19 19 LEU H H 19 7.254 7.254 7.336 -0.082 17850 1828 1 3 . 1 1 20 20 PHE N N 20 111.977 111.977 121.206 -9.229 17850 1829 1 3 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.128 0.131 17850 1830 1 3 . 1 1 20 20 PHE C C 20 177.033 177.033 176.527 0.506 17850 1831 1 3 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.393 -0.737 17850 1832 1 3 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.992 4.173 17850 1833 1 3 . 1 1 20 20 PHE H H 20 7.041 7.041 8.022 -0.981 17850 1834 1 3 . 1 1 21 21 ASP N N 21 116.981 116.981 124.765 -7.784 17850 1835 1 3 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.401 0.184 17850 1836 1 3 . 1 1 21 21 ASP C C 21 177.297 177.297 177.521 -0.224 17850 1837 1 3 . 1 1 21 21 ASP CA C 21 52.671 52.671 55.911 -3.240 17850 1838 1 3 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.434 -1.432 17850 1839 1 3 . 1 1 21 21 ASP H H 21 7.567 7.567 8.229 -0.662 17850 1840 1 3 . 1 1 22 22 LYS N N 22 124.748 124.748 115.904 8.844 17850 1841 1 3 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.144 -0.152 17850 1842 1 3 . 1 1 22 22 LYS C C 22 177.866 177.866 176.141 1.725 17850 1843 1 3 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.572 1.661 17850 1844 1 3 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.179 0.448 17850 1845 1 3 . 1 1 22 22 LYS H H 22 7.820 7.820 8.229 -0.409 17850 1846 1 3 . 1 1 23 23 ASP N N 23 114.211 114.211 117.230 -3.019 17850 1847 1 3 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.387 0.216 17850 1848 1 3 . 1 1 23 23 ASP C C 23 176.266 176.266 175.674 0.592 17850 1849 1 3 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.249 -2.602 17850 1850 1 3 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.293 -0.010 17850 1851 1 3 . 1 1 23 23 ASP H H 23 8.025 8.025 8.246 -0.221 17850 1852 1 3 . 1 1 24 24 ASN N N 24 115.587 115.587 117.270 -1.683 17850 1853 1 3 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.719 -0.330 17850 1854 1 3 . 1 1 24 24 ASN C C 24 174.828 174.828 176.595 -1.767 17850 1855 1 3 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.348 1.159 17850 1856 1 3 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.019 -0.988 17850 1857 1 3 . 1 1 24 24 ASN H H 24 7.962 7.962 8.660 -0.698 17850 1858 1 3 . 1 1 25 25 ASN N N 25 117.385 117.385 118.844 -1.459 17850 1859 1 3 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.609 0.239 17850 1860 1 3 . 1 1 25 25 ASN C C 25 177.553 177.553 174.061 3.492 17850 1861 1 3 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.988 -0.673 17850 1862 1 3 . 1 1 25 25 ASN H H 25 8.489 8.489 8.174 0.315 17850 1863 1 3 . 1 1 26 26 GLY N N 26 113.934 113.934 106.212 7.722 17850 1864 1 3 . 1 1 26 26 GLY C C 26 173.371 173.371 173.782 -0.411 17850 1865 1 3 . 1 1 26 26 GLY CA C 26 45.538 45.538 44.523 1.015 17850 1866 1 3 . 1 1 26 26 GLY H H 26 10.580 10.580 8.354 2.226 17850 1867 1 3 . 1 1 27 27 SER N N 27 113.842 113.842 122.462 -8.620 17850 1868 1 3 . 1 1 27 27 SER HA H 27 5.358 5.358 4.649 0.709 17850 1869 1 3 . 1 1 27 27 SER C C 27 172.645 172.645 175.086 -2.441 17850 1870 1 3 . 1 1 27 27 SER CA C 27 57.474 57.474 57.791 -0.317 17850 1871 1 3 . 1 1 27 27 SER CB C 27 66.576 66.576 63.400 3.176 17850 1872 1 3 . 1 1 27 27 SER H H 27 7.793 7.793 9.026 -1.233 17850 1873 1 3 . 1 1 28 28 ILE N N 28 127.597 127.597 128.492 -0.895 17850 1874 1 3 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.075 0.750 17850 1875 1 3 . 1 1 28 28 ILE C C 28 175.890 175.890 177.183 -1.293 17850 1876 1 3 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.807 -0.631 17850 1877 1 3 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.882 -0.788 17850 1878 1 3 . 1 1 28 28 ILE H H 28 9.787 9.787 9.073 0.714 17850 1879 1 3 . 1 1 29 29 SER N N 29 124.860 124.860 117.483 7.377 17850 1880 1 3 . 1 1 29 29 SER HA H 29 4.813 4.813 4.135 0.678 17850 1881 1 3 . 1 1 29 29 SER C C 29 175.477 175.477 176.523 -1.046 17850 1882 1 3 . 1 1 29 29 SER CA C 29 56.583 56.583 60.329 -3.746 17850 1883 1 3 . 1 1 29 29 SER CB C 29 66.269 66.269 62.841 3.428 17850 1884 1 3 . 1 1 29 29 SER H H 29 9.320 9.320 8.591 0.729 17850 1885 1 3 . 1 1 30 30 SER N N 30 117.383 117.383 116.512 0.871 17850 1886 1 3 . 1 1 30 30 SER HA H 30 4.141 4.141 4.403 -0.262 17850 1887 1 3 . 1 1 30 30 SER C C 30 176.531 176.531 175.326 1.205 17850 1888 1 3 . 1 1 30 30 SER CA C 30 62.690 62.690 60.824 1.866 17850 1889 1 3 . 1 1 30 30 SER CB C 30 62.264 62.264 63.196 -0.932 17850 1890 1 3 . 1 1 30 30 SER H H 30 9.554 9.554 8.084 1.470 17850 1891 1 3 . 1 1 31 31 SER N N 31 116.232 116.232 117.004 -0.772 17850 1892 1 3 . 1 1 31 31 SER HA H 31 4.309 4.309 4.303 0.006 17850 1893 1 3 . 1 1 31 31 SER C C 31 178.017 178.017 176.517 1.500 17850 1894 1 3 . 1 1 31 31 SER CA C 31 61.332 61.332 60.215 1.117 17850 1895 1 3 . 1 1 31 31 SER CB C 31 62.512 62.512 63.509 -0.997 17850 1896 1 3 . 1 1 31 31 SER H H 31 8.141 8.141 7.468 0.673 17850 1897 1 3 . 1 1 32 32 GLU N N 32 125.663 125.663 119.000 6.663 17850 1898 1 3 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.179 -0.126 17850 1899 1 3 . 1 1 32 32 GLU C C 32 179.222 179.222 177.561 1.661 17850 1900 1 3 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.432 0.267 17850 1901 1 3 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.775 -0.523 17850 1902 1 3 . 1 1 32 32 GLU H H 32 7.947 7.947 8.558 -0.611 17850 1903 1 3 . 1 1 33 33 LEU N N 33 120.624 120.624 118.244 2.380 17850 1904 1 3 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.096 0.072 17850 1905 1 3 . 1 1 33 33 LEU C C 33 178.493 178.493 178.814 -0.321 17850 1906 1 3 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.231 1.676 17850 1907 1 3 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.199 1.118 17850 1908 1 3 . 1 1 33 33 LEU H H 33 8.424 8.424 7.647 0.777 17850 1909 1 3 . 1 1 34 34 ALA N N 34 119.635 119.635 120.921 -1.286 17850 1910 1 3 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.040 -0.216 17850 1911 1 3 . 1 1 34 34 ALA C C 34 179.360 179.360 178.379 0.981 17850 1912 1 3 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.670 -0.074 17850 1913 1 3 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.688 -0.011 17850 1914 1 3 . 1 1 34 34 ALA H H 34 8.410 8.410 8.081 0.329 17850 1915 1 3 . 1 1 35 35 THR N N 35 114.602 114.602 115.556 -0.954 17850 1916 1 3 . 1 1 35 35 THR HA H 35 3.886 3.886 3.989 -0.103 17850 1917 1 3 . 1 1 35 35 THR C C 35 177.278 177.278 175.725 1.553 17850 1918 1 3 . 1 1 35 35 THR CA C 35 67.317 67.317 65.243 2.074 17850 1919 1 3 . 1 1 35 35 THR CB C 35 68.774 68.774 69.472 -0.698 17850 1920 1 3 . 1 1 35 35 THR H H 35 8.263 8.263 7.545 0.718 17850 1921 1 3 . 1 1 36 36 VAL N N 36 122.295 122.295 117.886 4.409 17850 1922 1 3 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.634 -0.029 17850 1923 1 3 . 1 1 36 36 VAL C C 36 178.653 178.653 178.303 0.350 17850 1924 1 3 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.697 0.041 17850 1925 1 3 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.407 -0.104 17850 1926 1 3 . 1 1 36 36 VAL H H 36 7.790 7.790 7.504 0.286 17850 1927 1 3 . 1 1 37 37 MET N N 37 117.677 117.677 116.183 1.494 17850 1928 1 3 . 1 1 37 37 MET HA H 37 3.642 3.642 4.396 -0.754 17850 1929 1 3 . 1 1 37 37 MET C C 37 178.172 178.172 178.834 -0.662 17850 1930 1 3 . 1 1 37 37 MET CA C 37 60.506 60.506 57.996 2.510 17850 1931 1 3 . 1 1 37 37 MET CB C 37 32.347 32.347 31.879 0.468 17850 1932 1 3 . 1 1 37 37 MET H H 37 8.081 8.081 8.115 -0.034 17850 1933 1 3 . 1 1 38 38 ARG N N 38 118.309 118.309 120.199 -1.890 17850 1934 1 3 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.072 0.617 17850 1935 1 3 . 1 1 38 38 ARG C C 38 181.486 181.486 176.994 4.492 17850 1936 1 3 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.665 0.436 17850 1937 1 3 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.770 0.242 17850 1938 1 3 . 1 1 38 38 ARG H H 38 8.547 8.547 7.958 0.589 17850 1939 1 3 . 1 1 39 39 SER N N 39 119.250 119.250 110.626 8.624 17850 1940 1 3 . 1 1 39 39 SER HA H 39 4.301 4.301 4.397 -0.096 17850 1941 1 3 . 1 1 39 39 SER C C 39 174.899 174.899 174.896 0.003 17850 1942 1 3 . 1 1 39 39 SER CA C 39 61.925 61.925 58.087 3.838 17850 1943 1 3 . 1 1 39 39 SER CB C 39 62.773 62.773 63.810 -1.037 17850 1944 1 3 . 1 1 39 39 SER H H 39 8.226 8.226 7.469 0.757 17850 1945 1 3 . 1 1 40 40 LEU N N 40 119.516 119.516 117.866 1.650 17850 1946 1 3 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.132 0.138 17850 1947 1 3 . 1 1 40 40 LEU C C 40 176.681 176.681 176.426 0.255 17850 1948 1 3 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.329 0.254 17850 1949 1 3 . 1 1 40 40 LEU H H 40 7.343 7.343 7.764 -0.421 17850 1950 1 3 . 1 1 41 41 GLY N N 41 105.983 105.983 107.134 -1.151 17850 1951 1 3 . 1 1 41 41 GLY C C 41 174.471 174.471 174.941 -0.470 17850 1952 1 3 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.488 0.751 17850 1953 1 3 . 1 1 41 41 GLY H H 41 7.858 7.858 7.788 0.070 17850 1954 1 3 . 1 1 42 42 LEU N N 42 120.442 120.442 118.539 1.903 17850 1955 1 3 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.575 -0.104 17850 1956 1 3 . 1 1 42 42 LEU C C 42 175.965 175.965 174.274 1.691 17850 1957 1 3 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.413 0.832 17850 1958 1 3 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.634 -0.103 17850 1959 1 3 . 1 1 42 42 LEU H H 42 7.707 7.707 8.389 -0.682 17850 1960 1 3 . 1 1 43 43 SER HA H 43 4.798 4.798 4.313 0.485 17850 1961 1 3 . 1 1 43 43 SER CA C 43 54.912 54.912 57.113 -2.201 17850 1962 1 3 . 1 1 43 43 SER CB C 43 63.197 63.197 62.700 0.496 17850 1963 1 3 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.441 0.351 17850 1964 1 3 . 1 1 44 44 PRO CA C 44 61.881 61.881 63.121 -1.240 17850 1965 1 3 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.830 -0.630 17850 1966 1 3 . 1 1 45 45 SER N N 45 119.898 119.898 122.114 -2.216 17850 1967 1 3 . 1 1 45 45 SER HA H 45 4.611 4.611 4.033 0.578 17850 1968 1 3 . 1 1 45 45 SER C C 45 174.913 174.913 176.356 -1.443 17850 1969 1 3 . 1 1 45 45 SER CA C 45 56.689 56.689 61.788 -5.099 17850 1970 1 3 . 1 1 45 45 SER CB C 45 65.502 65.502 63.367 2.135 17850 1971 1 3 . 1 1 45 45 SER H H 45 9.387 9.387 9.050 0.337 17850 1972 1 3 . 1 1 46 46 GLU N N 46 121.468 121.468 118.401 3.067 17850 1973 1 3 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.194 -0.255 17850 1974 1 3 . 1 1 46 46 GLU C C 46 179.002 179.002 178.816 0.186 17850 1975 1 3 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.318 0.817 17850 1976 1 3 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.765 0.582 17850 1977 1 3 . 1 1 46 46 GLU H H 46 8.913 8.913 8.647 0.266 17850 1978 1 3 . 1 1 47 47 ALA N N 47 121.115 121.115 121.935 -0.820 17850 1979 1 3 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.203 -0.051 17850 1980 1 3 . 1 1 47 47 ALA C C 47 179.962 179.962 180.194 -0.232 17850 1981 1 3 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.624 0.494 17850 1982 1 3 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.094 -0.739 17850 1983 1 3 . 1 1 47 47 ALA H H 47 8.324 8.324 7.547 0.777 17850 1984 1 3 . 1 1 48 48 GLU N N 48 118.713 118.713 120.142 -1.429 17850 1985 1 3 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.786 0.318 17850 1986 1 3 . 1 1 48 48 GLU C C 48 179.558 179.558 178.412 1.146 17850 1987 1 3 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.120 -1.902 17850 1988 1 3 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.775 1.129 17850 1989 1 3 . 1 1 48 48 GLU H H 48 7.756 7.756 8.990 -1.234 17850 1990 1 3 . 1 1 49 49 VAL N N 49 119.108 119.108 119.073 0.035 17850 1991 1 3 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.862 -0.398 17850 1992 1 3 . 1 1 49 49 VAL C C 49 177.505 177.505 177.984 -0.479 17850 1993 1 3 . 1 1 49 49 VAL CA C 49 67.471 67.471 64.781 2.690 17850 1994 1 3 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.432 0.009 17850 1995 1 3 . 1 1 49 49 VAL H H 49 8.129 8.129 7.774 0.355 17850 1996 1 3 . 1 1 50 50 ASN N N 50 117.942 117.942 119.130 -1.188 17850 1997 1 3 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.403 -0.015 17850 1998 1 3 . 1 1 50 50 ASN C C 50 177.275 177.275 176.960 0.315 17850 1999 1 3 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.731 1.050 17850 2000 1 3 . 1 1 50 50 ASN CB C 50 38.397 38.397 37.990 0.407 17850 2001 1 3 . 1 1 50 50 ASN H H 50 8.071 8.071 7.855 0.216 17850 2002 1 3 . 1 1 51 51 ASP N N 51 120.669 120.669 119.392 1.277 17850 2003 1 3 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.531 -0.040 17850 2004 1 3 . 1 1 51 51 ASP C C 51 179.203 179.203 178.343 0.860 17850 2005 1 3 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.361 1.234 17850 2006 1 3 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.187 -0.873 17850 2007 1 3 . 1 1 51 51 ASP H H 51 8.364 8.364 8.136 0.228 17850 2008 1 3 . 1 1 52 52 LEU N N 52 122.409 122.409 118.551 3.858 17850 2009 1 3 . 1 1 52 52 LEU HA H 52 4.070 4.070 3.989 0.081 17850 2010 1 3 . 1 1 52 52 LEU C C 52 179.017 179.017 178.131 0.886 17850 2011 1 3 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.926 0.531 17850 2012 1 3 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.220 0.861 17850 2013 1 3 . 1 1 52 52 LEU H H 52 8.018 8.018 8.553 -0.535 17850 2014 1 3 . 1 1 53 53 MET N N 53 117.391 117.391 119.488 -2.097 17850 2015 1 3 . 1 1 53 53 MET HA H 53 4.112 4.112 4.437 -0.325 17850 2016 1 3 . 1 1 53 53 MET CA C 53 57.472 57.472 57.598 -0.126 17850 2017 1 3 . 1 1 53 53 MET CB C 53 30.021 30.021 33.086 -3.065 17850 2018 1 3 . 1 1 53 53 MET H H 53 8.562 8.562 8.772 -0.210 17850 2019 1 3 . 1 1 54 54 ASN N N 54 115.554 115.554 115.807 -0.253 17850 2020 1 3 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.792 -0.234 17850 2021 1 3 . 1 1 54 54 ASN C C 54 176.801 176.801 175.148 1.653 17850 2022 1 3 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.947 1.350 17850 2023 1 3 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.377 -1.220 17850 2024 1 3 . 1 1 54 54 ASN H H 54 8.204 8.204 8.357 -0.153 17850 2025 1 3 . 1 1 55 55 GLU N N 55 117.659 117.659 116.185 1.474 17850 2026 1 3 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.325 -0.123 17850 2027 1 3 . 1 1 55 55 GLU C C 55 177.093 177.093 177.025 0.068 17850 2028 1 3 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.899 1.928 17850 2029 1 3 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.205 -0.185 17850 2030 1 3 . 1 1 55 55 GLU H H 55 7.617 7.617 7.401 0.216 17850 2031 1 3 . 1 1 56 56 ILE N N 56 117.618 117.618 122.880 -5.262 17850 2032 1 3 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.149 -0.265 17850 2033 1 3 . 1 1 56 56 ILE C C 56 176.029 176.029 176.829 -0.800 17850 2034 1 3 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.087 -0.274 17850 2035 1 3 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.051 1.877 17850 2036 1 3 . 1 1 56 56 ILE H H 56 7.472 7.472 8.021 -0.549 17850 2037 1 3 . 1 1 57 57 ASP N N 57 118.636 118.636 125.551 -6.915 17850 2038 1 3 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.512 -0.100 17850 2039 1 3 . 1 1 57 57 ASP C C 57 175.691 175.691 176.839 -1.148 17850 2040 1 3 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.104 -0.571 17850 2041 1 3 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.226 0.019 17850 2042 1 3 . 1 1 57 57 ASP H H 57 8.304 8.304 8.342 -0.038 17850 2043 1 3 . 1 1 58 58 VAL N N 58 126.376 126.376 117.921 8.455 17850 2044 1 3 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.134 -0.140 17850 2045 1 3 . 1 1 58 58 VAL C C 58 177.258 177.258 176.753 0.505 17850 2046 1 3 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.570 2.764 17850 2047 1 3 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.953 1.354 17850 2048 1 3 . 1 1 58 58 VAL H H 58 7.926 7.926 7.481 0.445 17850 2049 1 3 . 1 1 59 59 ASP N N 59 117.093 117.093 119.765 -2.672 17850 2050 1 3 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.263 0.294 17850 2051 1 3 . 1 1 59 59 ASP C C 59 177.759 177.759 176.929 0.830 17850 2052 1 3 . 1 1 59 59 ASP CA C 59 53.876 53.876 55.152 -1.276 17850 2053 1 3 . 1 1 59 59 ASP H H 59 8.363 8.363 8.369 -0.006 17850 2054 1 3 . 1 1 60 60 GLY N N 60 108.290 108.290 107.760 0.530 17850 2055 1 3 . 1 1 60 60 GLY C C 60 174.700 174.700 174.727 -0.027 17850 2056 1 3 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.083 3.037 17850 2057 1 3 . 1 1 60 60 GLY H H 60 7.636 7.636 8.930 -1.294 17850 2058 1 3 . 1 1 61 61 ASN N N 61 118.884 118.884 116.332 2.552 17850 2059 1 3 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.352 0.177 17850 2060 1 3 . 1 1 61 61 ASN C C 61 175.856 175.856 172.918 2.938 17850 2061 1 3 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.937 -2.577 17850 2062 1 3 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.881 0.296 17850 2063 1 3 . 1 1 61 61 ASN H H 61 8.078 8.078 8.809 -0.731 17850 2064 1 3 . 1 1 62 62 HIS N N 62 117.381 117.381 112.259 5.122 17850 2065 1 3 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.019 -1.142 17850 2066 1 3 . 1 1 62 62 HIS C C 62 172.310 172.310 172.893 -0.583 17850 2067 1 3 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.214 2.159 17850 2068 1 3 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.584 -8.850 17850 2069 1 3 . 1 1 62 62 HIS H H 62 9.958 9.958 8.213 1.744 17850 2070 1 3 . 1 1 63 63 GLN N N 63 112.906 112.906 117.588 -4.682 17850 2071 1 3 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.915 -0.083 17850 2072 1 3 . 1 1 63 63 GLN C C 63 174.861 174.861 175.643 -0.782 17850 2073 1 3 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.195 -0.320 17850 2074 1 3 . 1 1 63 63 GLN CB C 63 32.150 32.150 31.112 1.038 17850 2075 1 3 . 1 1 63 63 GLN H H 63 7.535 7.535 7.828 -0.293 17850 2076 1 3 . 1 1 64 64 ILE N N 64 124.083 124.083 125.727 -1.644 17850 2077 1 3 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.810 0.262 17850 2078 1 3 . 1 1 64 64 ILE C C 64 176.670 176.670 176.347 0.323 17850 2079 1 3 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.378 -0.707 17850 2080 1 3 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.414 -1.247 17850 2081 1 3 . 1 1 64 64 ILE H H 64 9.274 9.274 8.823 0.451 17850 2082 1 3 . 1 1 65 65 GLU N N 65 129.276 129.276 120.526 8.750 17850 2083 1 3 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.682 2.358 17850 2084 1 3 . 1 1 65 65 GLU C C 65 178.156 178.156 176.511 1.645 17850 2085 1 3 . 1 1 65 65 GLU CA C 65 57.848 57.848 58.061 -0.213 17850 2086 1 3 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.510 1.670 17850 2087 1 3 . 1 1 65 65 GLU H H 65 8.848 8.848 8.986 -0.138 17850 2088 1 3 . 1 1 66 66 PHE N N 66 124.260 124.260 120.157 4.103 17850 2089 1 3 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.874 -0.184 17850 2090 1 3 . 1 1 66 66 PHE C C 66 177.294 177.294 176.710 0.584 17850 2091 1 3 . 1 1 66 66 PHE CA C 66 62.020 62.020 61.414 0.606 17850 2092 1 3 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.719 -0.765 17850 2093 1 3 . 1 1 66 66 PHE H H 66 9.353 9.353 7.953 1.400 17850 2094 1 3 . 1 1 67 67 SER N N 67 112.827 112.827 118.222 -5.395 17850 2095 1 3 . 1 1 67 67 SER HA H 67 3.726 3.726 4.080 -0.354 17850 2096 1 3 . 1 1 67 67 SER C C 67 177.352 177.352 176.431 0.921 17850 2097 1 3 . 1 1 67 67 SER CA C 67 61.581 61.581 61.330 0.251 17850 2098 1 3 . 1 1 67 67 SER CB C 67 61.379 61.379 62.904 -1.526 17850 2099 1 3 . 1 1 67 67 SER H H 67 9.035 9.035 8.329 0.706 17850 2100 1 3 . 1 1 68 68 GLU N N 68 123.071 123.071 119.828 3.243 17850 2101 1 3 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.981 0.154 17850 2102 1 3 . 1 1 68 68 GLU C C 68 178.895 178.895 177.552 1.343 17850 2103 1 3 . 1 1 68 68 GLU CA C 68 57.978 57.978 59.925 -1.947 17850 2104 1 3 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.138 -0.861 17850 2105 1 3 . 1 1 68 68 GLU H H 68 6.829 6.829 8.379 -1.550 17850 2106 1 3 . 1 1 69 69 PHE N N 69 123.805 123.805 117.060 6.745 17850 2107 1 3 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.831 0.068 17850 2108 1 3 . 1 1 69 69 PHE C C 69 176.325 176.325 176.180 0.145 17850 2109 1 3 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.025 1.401 17850 2110 1 3 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.699 2.729 17850 2111 1 3 . 1 1 69 69 PHE H H 69 8.245 8.245 7.378 0.867 17850 2112 1 3 . 1 1 70 70 LEU N N 70 119.210 119.210 119.614 -0.404 17850 2113 1 3 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.109 -0.873 17850 2114 1 3 . 1 1 70 70 LEU C C 70 179.131 179.131 179.102 0.029 17850 2115 1 3 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.599 0.878 17850 2116 1 3 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.151 0.177 17850 2117 1 3 . 1 1 70 70 LEU H H 70 8.788 8.788 7.894 0.894 17850 2118 1 3 . 1 1 71 71 ALA N N 71 121.612 121.612 122.706 -1.094 17850 2119 1 3 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.962 -0.053 17850 2120 1 3 . 1 1 71 71 ALA C C 71 179.804 179.804 178.825 0.979 17850 2121 1 3 . 1 1 71 71 ALA CA C 71 55.116 55.116 55.410 -0.294 17850 2122 1 3 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.981 -1.219 17850 2123 1 3 . 1 1 71 71 ALA H H 71 7.365 7.365 7.450 -0.085 17850 2124 1 3 . 1 1 72 72 LEU N N 72 118.944 118.944 119.006 -0.062 17850 2125 1 3 . 1 1 72 72 LEU HA H 72 3.964 3.964 4.054 -0.090 17850 2126 1 3 . 1 1 72 72 LEU C C 72 178.415 178.415 178.223 0.192 17850 2127 1 3 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.259 0.558 17850 2128 1 3 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.726 -0.258 17850 2129 1 3 . 1 1 72 72 LEU H H 72 7.142 7.142 7.585 -0.443 17850 2130 1 3 . 1 1 73 73 MET N N 73 114.500 114.500 115.661 -1.161 17850 2131 1 3 . 1 1 73 73 MET HA H 73 3.978 3.978 4.558 -0.580 17850 2132 1 3 . 1 1 73 73 MET C C 73 178.283 178.283 176.200 2.083 17850 2133 1 3 . 1 1 73 73 MET CA C 73 55.701 55.701 55.732 -0.031 17850 2134 1 3 . 1 1 73 73 MET CB C 73 30.742 30.742 32.894 -2.152 17850 2135 1 3 . 1 1 73 73 MET H H 73 7.726 7.726 7.516 0.210 17850 2136 1 3 . 1 1 74 74 SER N N 74 112.626 112.626 116.896 -4.270 17850 2137 1 3 . 1 1 74 74 SER HA H 74 4.287 4.287 4.615 -0.328 17850 2138 1 3 . 1 1 74 74 SER C C 74 174.717 174.717 174.413 0.304 17850 2139 1 3 . 1 1 74 74 SER CA C 74 59.582 59.582 59.084 0.498 17850 2140 1 3 . 1 1 74 74 SER CB C 74 63.746 63.746 65.010 -1.264 17850 2141 1 3 . 1 1 74 74 SER H H 74 7.857 7.857 8.144 -0.287 17850 2142 1 3 . 1 1 75 75 ARG N N 75 122.130 122.130 122.211 -0.081 17850 2143 1 3 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.457 -0.310 17850 2144 1 3 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.237 2.538 17850 2145 1 3 . 1 1 75 75 ARG CB C 75 30.666 30.666 29.238 1.428 17850 2146 1 3 . 1 1 75 75 ARG H H 75 7.208 7.208 8.648 -1.440 17850 2147 1 3 . 1 1 76 76 GLN N N 76 121.749 121.749 116.842 4.907 17850 2148 1 3 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.398 -0.114 17850 2149 1 3 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.731 -0.538 17850 2150 1 3 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.085 -1.028 17850 2151 1 3 . 1 1 76 76 GLN H H 76 8.327 8.327 7.625 0.702 17850 2152 1 3 . 1 1 77 77 LEU N N 77 124.093 124.093 124.279 -0.186 17850 2153 1 3 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.543 -0.104 17850 2154 1 3 . 1 1 77 77 LEU C C 77 177.670 177.670 176.423 1.247 17850 2155 1 3 . 1 1 77 77 LEU CA C 77 55.283 55.283 54.725 0.558 17850 2156 1 3 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.027 -0.247 17850 2157 1 3 . 1 1 77 77 LEU H H 77 8.264 8.264 8.285 -0.021 17850 2158 1 3 . 1 1 78 78 LYS N N 78 121.053 121.053 119.856 1.197 17850 2159 1 3 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.226 0.181 17850 2160 1 3 . 1 1 78 78 LYS CA C 78 56.185 56.185 58.578 -2.393 17850 2161 1 3 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.852 0.425 17850 2162 1 3 . 1 1 78 78 LYS H H 78 8.433 8.433 8.297 0.136 17850 2163 1 3 . 1 1 79 79 SER N N 79 116.423 116.423 114.824 1.599 17850 2164 1 3 . 1 1 79 79 SER HA H 79 4.321 4.321 4.641 -0.320 17850 2165 1 3 . 1 1 79 79 SER C C 79 175.145 175.145 174.317 0.828 17850 2166 1 3 . 1 1 79 79 SER CA C 79 59.795 59.795 57.845 1.950 17850 2167 1 3 . 1 1 79 79 SER CB C 79 63.226 63.226 63.529 -0.303 17850 2168 1 3 . 1 1 79 79 SER H H 79 8.448 8.448 8.419 0.029 17850 2169 1 3 . 1 1 80 80 ASN N N 80 119.581 119.581 119.344 0.237 17850 2170 1 3 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.446 0.253 17850 2171 1 3 . 1 1 80 80 ASN C C 80 175.726 175.726 177.589 -1.863 17850 2172 1 3 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.921 -1.508 17850 2173 1 3 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.559 1.029 17850 2174 1 3 . 1 1 80 80 ASN H H 80 8.513 8.513 8.322 0.191 17850 2175 1 3 . 1 1 81 81 ASP N N 81 120.378 120.378 121.444 -1.066 17850 2176 1 3 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.414 0.216 17850 2177 1 3 . 1 1 81 81 ASP C C 81 177.281 177.281 178.359 -1.078 17850 2178 1 3 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.176 -1.583 17850 2179 1 3 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.145 1.461 17850 2180 1 3 . 1 1 81 81 ASP H H 81 7.957 7.957 8.427 -0.470 17850 2181 1 3 . 1 1 82 82 SER N N 82 117.046 117.046 116.666 0.380 17850 2182 1 3 . 1 1 82 82 SER HA H 82 4.194 4.194 3.926 0.268 17850 2183 1 3 . 1 1 82 82 SER C C 82 176.745 176.745 176.958 -0.213 17850 2184 1 3 . 1 1 82 82 SER CA C 82 61.376 61.376 61.646 -0.270 17850 2185 1 3 . 1 1 82 82 SER CB C 82 62.896 62.896 62.774 0.122 17850 2186 1 3 . 1 1 82 82 SER H H 82 8.469 8.469 8.403 0.066 17850 2187 1 3 . 1 1 83 83 GLU N N 83 122.405 122.405 118.482 3.923 17850 2188 1 3 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.102 -0.002 17850 2189 1 3 . 1 1 83 83 GLU C C 83 178.740 178.740 179.037 -0.297 17850 2190 1 3 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.724 -0.259 17850 2191 1 3 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.601 -0.197 17850 2192 1 3 . 1 1 83 83 GLU H H 83 8.357 8.357 8.444 -0.087 17850 2193 1 3 . 1 1 84 84 GLN N N 84 118.604 118.604 118.394 0.210 17850 2194 1 3 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.175 -0.066 17850 2195 1 3 . 1 1 84 84 GLN C C 84 178.533 178.533 178.860 -0.327 17850 2196 1 3 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.346 0.120 17850 2197 1 3 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.999 0.422 17850 2198 1 3 . 1 1 84 84 GLN H H 84 7.988 7.988 7.803 0.185 17850 2199 1 3 . 1 1 85 85 GLU N N 85 119.418 119.418 119.850 -0.432 17850 2200 1 3 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.420 -0.478 17850 2201 1 3 . 1 1 85 85 GLU C C 85 178.250 178.250 178.459 -0.209 17850 2202 1 3 . 1 1 85 85 GLU CA C 85 60.124 60.124 58.820 1.304 17850 2203 1 3 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.690 -0.118 17850 2204 1 3 . 1 1 85 85 GLU H H 85 8.228 8.228 8.501 -0.273 17850 2205 1 3 . 1 1 86 86 LEU N N 86 120.010 120.010 119.131 0.879 17850 2206 1 3 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.242 -0.083 17850 2207 1 3 . 1 1 86 86 LEU C C 86 178.534 178.534 178.908 -0.374 17850 2208 1 3 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.761 -0.554 17850 2209 1 3 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.993 0.632 17850 2210 1 3 . 1 1 86 86 LEU H H 86 7.797 7.797 8.624 -0.827 17850 2211 1 3 . 1 1 87 87 LEU N N 87 119.111 119.111 119.527 -0.416 17850 2212 1 3 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.003 0.101 17850 2213 1 3 . 1 1 87 87 LEU C C 87 179.333 179.333 179.278 0.055 17850 2214 1 3 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.025 0.218 17850 2215 1 3 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.526 0.240 17850 2216 1 3 . 1 1 87 87 LEU H H 87 7.825 7.825 8.808 -0.983 17850 2217 1 3 . 1 1 88 88 GLU N N 88 117.514 117.514 118.764 -1.250 17850 2218 1 3 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.529 -0.428 17850 2219 1 3 . 1 1 88 88 GLU C C 88 179.461 179.461 178.207 1.254 17850 2220 1 3 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.858 0.157 17850 2221 1 3 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.403 -0.733 17850 2222 1 3 . 1 1 88 88 GLU H H 88 8.265 8.265 7.793 0.472 17850 2223 1 3 . 1 1 89 89 ALA N N 89 120.734 120.734 124.443 -3.709 17850 2224 1 3 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.123 1.044 17850 2225 1 3 . 1 1 89 89 ALA C C 89 178.362 178.362 178.307 0.055 17850 2226 1 3 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.263 0.814 17850 2227 1 3 . 1 1 89 89 ALA CB C 89 17.983 17.983 18.875 -0.892 17850 2228 1 3 . 1 1 89 89 ALA H H 89 8.192 8.192 8.292 -0.100 17850 2229 1 3 . 1 1 90 90 PHE N N 90 119.339 119.339 117.599 1.740 17850 2230 1 3 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.891 -0.692 17850 2231 1 3 . 1 1 90 90 PHE C C 90 177.497 177.497 177.458 0.039 17850 2232 1 3 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.990 1.195 17850 2233 1 3 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.283 1.537 17850 2234 1 3 . 1 1 90 90 PHE H H 90 8.685 8.685 8.211 0.473 17850 2235 1 3 . 1 1 91 91 LYS N N 91 116.189 116.189 119.910 -3.721 17850 2236 1 3 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.899 0.049 17850 2237 1 3 . 1 1 91 91 LYS C C 91 178.236 178.236 178.236 0.000 17850 2238 1 3 . 1 1 91 91 LYS CA C 91 59.514 59.514 60.133 -0.619 17850 2239 1 3 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.540 0.331 17850 2240 1 3 . 1 1 91 91 LYS H H 91 8.112 8.112 7.418 0.694 17850 2241 1 3 . 1 1 92 92 VAL N N 92 117.696 117.696 116.907 0.789 17850 2242 1 3 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.859 -0.287 17850 2243 1 3 . 1 1 92 92 VAL C C 92 176.545 176.545 177.093 -0.548 17850 2244 1 3 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.180 0.393 17850 2245 1 3 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.029 -0.603 17850 2246 1 3 . 1 1 92 92 VAL H H 92 7.383 7.383 7.912 -0.529 17850 2247 1 3 . 1 1 93 93 PHE N N 93 114.826 114.826 117.514 -2.688 17850 2248 1 3 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.642 -0.415 17850 2249 1 3 . 1 1 93 93 PHE C C 93 176.417 176.417 176.326 0.091 17850 2250 1 3 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.910 0.689 17850 2251 1 3 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.898 2.298 17850 2252 1 3 . 1 1 93 93 PHE H H 93 7.116 7.116 7.894 -0.778 17850 2253 1 3 . 1 1 94 94 ASP N N 94 116.753 116.753 124.971 -8.218 17850 2254 1 3 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.526 0.005 17850 2255 1 3 . 1 1 94 94 ASP C C 94 177.305 177.305 177.048 0.257 17850 2256 1 3 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.356 -2.885 17850 2257 1 3 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.462 -1.621 17850 2258 1 3 . 1 1 94 94 ASP H H 94 7.849 7.849 8.253 -0.404 17850 2259 1 3 . 1 1 95 95 LYS N N 95 125.185 125.185 119.395 5.790 17850 2260 1 3 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.171 -0.168 17850 2261 1 3 . 1 1 95 95 LYS C C 95 178.261 178.261 176.985 1.276 17850 2262 1 3 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.771 1.306 17850 2263 1 3 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.423 -1.233 17850 2264 1 3 . 1 1 95 95 LYS H H 95 7.755 7.755 7.811 -0.056 17850 2265 1 3 . 1 1 96 96 ASN N N 96 112.542 112.542 119.850 -7.308 17850 2266 1 3 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.363 0.422 17850 2267 1 3 . 1 1 96 96 ASN C C 96 176.469 176.469 174.464 2.005 17850 2268 1 3 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.981 -1.119 17850 2269 1 3 . 1 1 96 96 ASN H H 96 8.069 8.069 8.057 0.012 17850 2270 1 3 . 1 1 97 97 GLY N N 97 109.956 109.956 110.900 -0.944 17850 2271 1 3 . 1 1 97 97 GLY C C 97 175.032 175.032 175.749 -0.717 17850 2272 1 3 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.306 3.402 17850 2273 1 3 . 1 1 97 97 GLY H H 97 7.686 7.686 8.866 -1.180 17850 2274 1 3 . 1 1 98 98 ASP N N 98 119.383 119.383 120.240 -0.857 17850 2275 1 3 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.319 0.234 17850 2276 1 3 . 1 1 98 98 ASP C C 98 177.274 177.274 174.644 2.630 17850 2277 1 3 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.979 -1.645 17850 2278 1 3 . 1 1 98 98 ASP H H 98 8.249 8.249 8.100 0.149 17850 2279 1 3 . 1 1 99 99 GLY N N 99 112.398 112.398 105.599 6.799 17850 2280 1 3 . 1 1 99 99 GLY C C 99 173.128 173.128 174.043 -0.915 17850 2281 1 3 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.736 1.993 17850 2282 1 3 . 1 1 99 99 GLY H H 99 10.390 10.390 8.090 2.300 17850 2283 1 3 . 1 1 100 100 LEU N N 100 120.803 120.803 125.574 -4.771 17850 2284 1 3 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.753 0.512 17850 2285 1 3 . 1 1 100 100 LEU C C 100 176.427 176.427 177.594 -1.167 17850 2286 1 3 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.020 -2.244 17850 2287 1 3 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.619 4.582 17850 2288 1 3 . 1 1 100 100 LEU H H 100 7.987 7.987 9.052 -1.065 17850 2289 1 3 . 1 1 101 101 ILE N N 101 125.286 125.286 128.385 -3.099 17850 2290 1 3 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.297 0.425 17850 2291 1 3 . 1 1 101 101 ILE C C 101 175.432 175.432 177.034 -1.602 17850 2292 1 3 . 1 1 101 101 ILE CA C 101 60.249 60.249 61.499 -1.250 17850 2293 1 3 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.334 -0.270 17850 2294 1 3 . 1 1 101 101 ILE H H 101 9.698 9.698 8.322 1.376 17850 2295 1 3 . 1 1 102 102 SER N N 102 123.133 123.133 117.442 5.691 17850 2296 1 3 . 1 1 102 102 SER HA H 102 4.969 4.969 4.120 0.849 17850 2297 1 3 . 1 1 102 102 SER C C 102 175.298 175.298 176.012 -0.714 17850 2298 1 3 . 1 1 102 102 SER CA C 102 55.994 55.994 61.747 -5.753 17850 2299 1 3 . 1 1 102 102 SER CB C 102 66.456 66.456 62.433 4.023 17850 2300 1 3 . 1 1 102 102 SER H H 102 9.095 9.095 8.815 0.280 17850 2301 1 3 . 1 1 103 103 ALA N N 103 122.886 122.886 122.048 0.838 17850 2302 1 3 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.816 0.073 17850 2303 1 3 . 1 1 103 103 ALA C C 103 179.237 179.237 179.635 -0.398 17850 2304 1 3 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.410 0.672 17850 2305 1 3 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.852 0.205 17850 2306 1 3 . 1 1 103 103 ALA H H 103 8.691 8.691 8.616 0.075 17850 2307 1 3 . 1 1 104 104 ALA N N 104 118.317 118.317 120.563 -2.246 17850 2308 1 3 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.613 0.461 17850 2309 1 3 . 1 1 104 104 ALA C C 104 181.451 181.451 179.078 2.373 17850 2310 1 3 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.622 0.663 17850 2311 1 3 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.407 0.028 17850 2312 1 3 . 1 1 104 104 ALA H H 104 8.392 8.392 8.220 0.172 17850 2313 1 3 . 1 1 105 105 GLU N N 105 120.398 120.398 117.968 2.430 17850 2314 1 3 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.659 -0.599 17850 2315 1 3 . 1 1 105 105 GLU C C 105 179.223 179.223 177.722 1.501 17850 2316 1 3 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.566 -0.103 17850 2317 1 3 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.044 -0.893 17850 2318 1 3 . 1 1 105 105 GLU H H 105 7.879 7.879 8.346 -0.467 17850 2319 1 3 . 1 1 106 106 LEU N N 106 120.023 120.023 120.111 -0.088 17850 2320 1 3 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.898 0.265 17850 2321 1 3 . 1 1 106 106 LEU C C 106 178.503 178.503 178.800 -0.297 17850 2322 1 3 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.540 0.149 17850 2323 1 3 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.985 1.302 17850 2324 1 3 . 1 1 106 106 LEU H H 106 8.479 8.479 8.737 -0.258 17850 2325 1 3 . 1 1 107 107 LYS N N 107 117.064 117.064 119.895 -2.831 17850 2326 1 3 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.947 -0.129 17850 2327 1 3 . 1 1 107 107 LYS C C 107 179.039 179.039 178.898 0.141 17850 2328 1 3 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.075 1.234 17850 2329 1 3 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.071 0.819 17850 2330 1 3 . 1 1 107 107 LYS H H 107 8.758 8.758 8.531 0.227 17850 2331 1 3 . 1 1 108 108 HIS N N 108 119.125 119.125 118.983 0.142 17850 2332 1 3 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.526 0.790 17850 2333 1 3 . 1 1 108 108 HIS C C 108 178.394 178.394 177.317 1.077 17850 2334 1 3 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.579 0.608 17850 2335 1 3 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.325 1.167 17850 2336 1 3 . 1 1 108 108 HIS H H 108 8.287 8.287 7.915 0.372 17850 2337 1 3 . 1 1 109 109 VAL N N 109 119.525 119.525 119.049 0.476 17850 2338 1 3 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.690 -0.205 17850 2339 1 3 . 1 1 109 109 VAL C C 109 178.246 178.246 178.027 0.219 17850 2340 1 3 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.583 1.127 17850 2341 1 3 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.445 1.127 17850 2342 1 3 . 1 1 109 109 VAL H H 109 7.915 7.915 8.652 -0.737 17850 2343 1 3 . 1 1 110 110 LEU N N 110 117.403 117.403 118.513 -1.110 17850 2344 1 3 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.125 -0.146 17850 2345 1 3 . 1 1 110 110 LEU C C 110 178.968 178.968 178.383 0.585 17850 2346 1 3 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.205 0.013 17850 2347 1 3 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.613 -1.085 17850 2348 1 3 . 1 1 110 110 LEU H H 110 8.269 8.269 8.361 -0.092 17850 2349 1 3 . 1 1 111 111 THR N N 111 114.122 114.122 115.387 -1.265 17850 2350 1 3 . 1 1 111 111 THR HA H 111 4.184 4.184 4.042 0.142 17850 2351 1 3 . 1 1 111 111 THR C C 111 178.534 178.534 175.506 3.028 17850 2352 1 3 . 1 1 111 111 THR CA C 111 66.252 66.252 64.487 1.765 17850 2353 1 3 . 1 1 111 111 THR CB C 111 68.851 68.851 68.060 0.791 17850 2354 1 3 . 1 1 111 111 THR H H 111 8.441 8.441 8.117 0.324 17850 2355 1 3 . 1 1 112 112 SER N N 112 119.981 119.981 106.537 13.444 17850 2356 1 3 . 1 1 112 112 SER HA H 112 4.215 4.215 4.815 -0.600 17850 2357 1 3 . 1 1 112 112 SER C C 112 175.523 175.523 174.781 0.742 17850 2358 1 3 . 1 1 112 112 SER CA C 112 62.197 62.197 58.528 3.669 17850 2359 1 3 . 1 1 112 112 SER CB C 112 62.936 62.936 65.315 -2.379 17850 2360 1 3 . 1 1 112 112 SER H H 112 7.910 7.910 7.202 0.708 17850 2361 1 3 . 1 1 113 113 ILE N N 113 112.726 112.726 119.253 -6.527 17850 2362 1 3 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.922 0.562 17850 2363 1 3 . 1 1 113 113 ILE C C 113 175.636 175.636 175.048 0.588 17850 2364 1 3 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.314 -0.559 17850 2365 1 3 . 1 1 113 113 ILE H H 113 7.473 7.473 7.562 -0.089 17850 2366 1 3 . 1 1 114 114 GLY N N 114 108.354 108.354 112.235 -3.881 17850 2367 1 3 . 1 1 114 114 GLY C C 114 174.583 174.583 174.332 0.251 17850 2368 1 3 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.700 0.150 17850 2369 1 3 . 1 1 114 114 GLY H H 114 7.652 7.652 8.148 -0.496 17850 2370 1 3 . 1 1 115 115 GLU N N 115 120.283 120.283 125.201 -4.918 17850 2371 1 3 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.596 -0.291 17850 2372 1 3 . 1 1 115 115 GLU C C 115 175.444 175.444 175.485 -0.041 17850 2373 1 3 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.093 0.039 17850 2374 1 3 . 1 1 115 115 GLU CB C 115 30.250 30.250 29.628 0.622 17850 2375 1 3 . 1 1 115 115 GLU H H 115 8.045 8.045 8.274 -0.229 17850 2376 1 3 . 1 1 116 116 LYS N N 116 124.370 124.370 125.436 -1.066 17850 2377 1 3 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.477 -0.055 17850 2378 1 3 . 1 1 116 116 LYS C C 116 175.287 175.287 176.956 -1.669 17850 2379 1 3 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.206 0.429 17850 2380 1 3 . 1 1 116 116 LYS CB C 116 32.142 32.142 34.029 -1.887 17850 2381 1 3 . 1 1 116 116 LYS H H 116 8.571 8.571 8.220 0.351 17850 2382 1 3 . 1 1 117 117 LEU N N 117 125.492 125.492 120.530 4.962 17850 2383 1 3 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.265 0.519 17850 2384 1 3 . 1 1 117 117 LEU C C 117 177.161 177.161 177.605 -0.444 17850 2385 1 3 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.196 1.037 17850 2386 1 3 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.366 1.632 17850 2387 1 3 . 1 1 117 117 LEU H H 117 8.042 8.042 8.031 0.011 17850 2388 1 3 . 1 1 118 118 THR N N 118 113.255 113.255 116.857 -3.602 17850 2389 1 3 . 1 1 118 118 THR HA H 118 4.497 4.497 4.018 0.479 17850 2390 1 3 . 1 1 118 118 THR C C 118 175.335 175.335 176.297 -0.962 17850 2391 1 3 . 1 1 118 118 THR CA C 118 60.434 60.434 65.556 -5.122 17850 2392 1 3 . 1 1 118 118 THR CB C 118 71.193 71.193 68.703 2.490 17850 2393 1 3 . 1 1 118 118 THR H H 118 8.995 8.995 8.709 0.286 17850 2394 1 3 . 1 1 119 119 ASP N N 119 120.837 120.837 118.740 2.097 17850 2395 1 3 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.608 -0.376 17850 2396 1 3 . 1 1 119 119 ASP C C 119 178.422 178.422 178.456 -0.034 17850 2397 1 3 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.422 1.675 17850 2398 1 3 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.424 -0.449 17850 2399 1 3 . 1 1 119 119 ASP H H 119 8.743 8.743 8.284 0.459 17850 2400 1 3 . 1 1 120 120 ALA N N 120 121.309 121.309 121.570 -0.261 17850 2401 1 3 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.029 0.137 17850 2402 1 3 . 1 1 120 120 ALA C C 120 179.796 179.796 179.986 -0.190 17850 2403 1 3 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.534 0.494 17850 2404 1 3 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.820 -0.500 17850 2405 1 3 . 1 1 120 120 ALA H H 120 8.304 8.304 7.635 0.669 17850 2406 1 3 . 1 1 121 121 GLU N N 121 118.068 118.068 120.766 -2.698 17850 2407 1 3 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.996 0.061 17850 2408 1 3 . 1 1 121 121 GLU C C 121 180.035 180.035 177.310 2.725 17850 2409 1 3 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.335 -1.097 17850 2410 1 3 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.436 0.993 17850 2411 1 3 . 1 1 121 121 GLU H H 121 7.705 7.705 8.864 -1.159 17850 2412 1 3 . 1 1 122 122 VAL N N 122 120.636 120.636 117.376 3.260 17850 2413 1 3 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.798 -0.261 17850 2414 1 3 . 1 1 122 122 VAL C C 122 177.120 177.120 177.365 -0.245 17850 2415 1 3 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.966 1.075 17850 2416 1 3 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.639 -0.247 17850 2417 1 3 . 1 1 122 122 VAL H H 122 7.935 7.935 7.631 0.304 17850 2418 1 3 . 1 1 123 123 ASP N N 123 120.336 120.336 118.417 1.919 17850 2419 1 3 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.474 -0.171 17850 2420 1 3 . 1 1 123 123 ASP C C 123 179.023 179.023 178.034 0.989 17850 2421 1 3 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.644 1.299 17850 2422 1 3 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.014 -0.343 17850 2423 1 3 . 1 1 123 123 ASP H H 123 8.204 8.204 7.535 0.669 17850 2424 1 3 . 1 1 124 124 ASP N N 124 118.890 118.890 121.046 -2.156 17850 2425 1 3 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.518 -0.178 17850 2426 1 3 . 1 1 124 124 ASP C C 124 178.527 178.527 177.951 0.576 17850 2427 1 3 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.397 1.126 17850 2428 1 3 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.848 -0.028 17850 2429 1 3 . 1 1 124 124 ASP H H 124 8.272 8.272 7.398 0.874 17850 2430 1 3 . 1 1 125 125 MET N N 125 119.365 119.365 116.588 2.777 17850 2431 1 3 . 1 1 125 125 MET HA H 125 4.091 4.091 4.060 0.031 17850 2432 1 3 . 1 1 125 125 MET C C 125 178.021 178.021 178.407 -0.386 17850 2433 1 3 . 1 1 125 125 MET CA C 125 59.205 59.205 58.413 0.792 17850 2434 1 3 . 1 1 125 125 MET CB C 125 33.281 33.281 31.915 1.366 17850 2435 1 3 . 1 1 125 125 MET H H 125 7.750 7.750 8.517 -0.767 17850 2436 1 3 . 1 1 126 126 LEU N N 126 117.193 117.193 118.269 -1.076 17850 2437 1 3 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.971 -0.047 17850 2438 1 3 . 1 1 126 126 LEU C C 126 180.267 180.267 179.400 0.867 17850 2439 1 3 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.641 0.161 17850 2440 1 3 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.453 0.161 17850 2441 1 3 . 1 1 126 126 LEU H H 126 8.152 8.152 7.699 0.453 17850 2442 1 3 . 1 1 127 127 ARG N N 127 120.792 120.792 117.541 3.251 17850 2443 1 3 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.076 -0.035 17850 2444 1 3 . 1 1 127 127 ARG C C 127 178.027 178.027 177.537 0.490 17850 2445 1 3 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.508 0.773 17850 2446 1 3 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.502 -0.503 17850 2447 1 3 . 1 1 127 127 ARG H H 127 8.335 8.335 7.467 0.868 17850 2448 1 3 . 1 1 128 128 GLU N N 128 117.142 117.142 111.444 5.698 17850 2449 1 3 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.615 -0.509 17850 2450 1 3 . 1 1 128 128 GLU C C 128 178.618 178.618 175.593 3.025 17850 2451 1 3 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.945 3.260 17850 2452 1 3 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.390 0.004 17850 2453 1 3 . 1 1 128 128 GLU H H 128 7.667 7.667 8.235 -0.568 17850 2454 1 3 . 1 1 129 129 VAL N N 129 108.345 108.345 118.300 -9.955 17850 2455 1 3 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.173 0.314 17850 2456 1 3 . 1 1 129 129 VAL C C 129 175.591 175.591 176.601 -1.010 17850 2457 1 3 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.222 -0.559 17850 2458 1 3 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.261 -0.253 17850 2459 1 3 . 1 1 129 129 VAL H H 129 7.470 7.470 7.903 -0.433 17850 2460 1 3 . 1 1 130 130 SER N N 130 115.012 115.012 118.121 -3.109 17850 2461 1 3 . 1 1 130 130 SER HA H 130 4.670 4.670 4.119 0.551 17850 2462 1 3 . 1 1 130 130 SER C C 130 174.414 174.414 174.350 0.064 17850 2463 1 3 . 1 1 130 130 SER CA C 130 58.067 58.067 59.518 -1.451 17850 2464 1 3 . 1 1 130 130 SER CB C 130 65.814 65.814 61.805 4.009 17850 2465 1 3 . 1 1 130 130 SER H H 130 7.858 7.858 7.829 0.029 17850 2466 1 3 . 1 1 131 131 ASP N N 131 120.972 120.972 116.378 4.594 17850 2467 1 3 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.244 0.322 17850 2468 1 3 . 1 1 131 131 ASP C C 131 176.676 176.676 175.221 1.455 17850 2469 1 3 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.841 -0.058 17850 2470 1 3 . 1 1 131 131 ASP H H 131 8.478 8.478 8.300 0.178 17850 2471 1 3 . 1 1 132 132 GLY N N 132 105.512 105.512 108.566 -3.054 17850 2472 1 3 . 1 1 132 132 GLY C C 132 174.924 174.924 175.305 -0.381 17850 2473 1 3 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.212 -0.542 17850 2474 1 3 . 1 1 132 132 GLY H H 132 8.352 8.352 7.703 0.649 17850 2475 1 3 . 1 1 133 133 SER N N 133 116.718 116.718 114.420 2.298 17850 2476 1 3 . 1 1 133 133 SER HA H 133 4.435 4.435 4.418 0.017 17850 2477 1 3 . 1 1 133 133 SER C C 133 175.404 175.404 172.484 2.920 17850 2478 1 3 . 1 1 133 133 SER CA C 133 59.340 59.340 58.290 1.050 17850 2479 1 3 . 1 1 133 133 SER H H 133 8.104 8.104 8.567 -0.463 17850 2480 1 3 . 1 1 134 134 GLY N N 134 109.601 109.601 107.945 1.656 17850 2481 1 3 . 1 1 134 134 GLY C C 134 172.547 172.547 172.912 -0.365 17850 2482 1 3 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.190 2.633 17850 2483 1 3 . 1 1 134 134 GLY H H 134 8.555 8.555 7.431 1.124 17850 2484 1 3 . 1 1 135 135 GLU N N 135 117.166 117.166 116.572 0.594 17850 2485 1 3 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.912 0.115 17850 2486 1 3 . 1 1 135 135 GLU C C 135 175.280 175.280 174.846 0.434 17850 2487 1 3 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.738 -0.003 17850 2488 1 3 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.169 0.705 17850 2489 1 3 . 1 1 135 135 GLU H H 135 7.641 7.641 8.143 -0.502 17850 2490 1 3 . 1 1 136 136 ILE N N 136 114.256 114.256 126.058 -11.802 17850 2491 1 3 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.891 0.185 17850 2492 1 3 . 1 1 136 136 ILE C C 136 175.228 175.228 177.160 -1.932 17850 2493 1 3 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.366 0.032 17850 2494 1 3 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.260 2.392 17850 2495 1 3 . 1 1 136 136 ILE H H 136 8.565 8.565 8.408 0.157 17850 2496 1 3 . 1 1 137 137 ASN N N 137 121.842 121.842 118.553 3.289 17850 2497 1 3 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.667 1.598 17850 2498 1 3 . 1 1 137 137 ASN C C 137 176.835 176.835 176.481 0.354 17850 2499 1 3 . 1 1 137 137 ASN CA C 137 51.027 51.027 55.003 -3.976 17850 2500 1 3 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.789 1.924 17850 2501 1 3 . 1 1 137 137 ASN H H 137 8.767 8.767 8.539 0.228 17850 2502 1 3 . 1 1 138 138 ILE N N 138 118.075 118.075 118.426 -0.351 17850 2503 1 3 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.879 -0.127 17850 2504 1 3 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.458 0.314 17850 2505 1 3 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.966 0.587 17850 2506 1 3 . 1 1 138 138 ILE H H 138 8.418 8.418 8.410 0.008 17850 2507 1 3 . 1 1 139 139 GLN N N 139 122.926 122.926 119.700 3.226 17850 2508 1 3 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.056 0.070 17850 2509 1 3 . 1 1 139 139 GLN C C 139 179.886 179.886 178.818 1.068 17850 2510 1 3 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.741 0.845 17850 2511 1 3 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.497 -0.712 17850 2512 1 3 . 1 1 139 139 GLN H H 139 7.632 7.632 7.980 -0.348 17850 2513 1 3 . 1 1 140 140 GLN N N 140 121.813 121.813 120.737 1.076 17850 2514 1 3 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.787 0.374 17850 2515 1 3 . 1 1 140 140 GLN C C 140 178.284 178.284 177.374 0.910 17850 2516 1 3 . 1 1 140 140 GLN CA C 140 58.216 58.216 59.067 -0.851 17850 2517 1 3 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.454 -0.016 17850 2518 1 3 . 1 1 140 140 GLN H H 140 8.416 8.416 8.901 -0.485 17850 2519 1 3 . 1 1 141 141 PHE N N 141 121.732 121.732 118.280 3.452 17850 2520 1 3 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.723 0.429 17850 2521 1 3 . 1 1 141 141 PHE C C 141 176.273 176.273 176.552 -0.279 17850 2522 1 3 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.427 0.533 17850 2523 1 3 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.023 2.038 17850 2524 1 3 . 1 1 141 141 PHE H H 141 9.030 9.030 7.964 1.066 17850 2525 1 3 . 1 1 142 142 ALA N N 142 119.852 119.852 120.493 -0.641 17850 2526 1 3 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.998 -0.195 17850 2527 1 3 . 1 1 142 142 ALA C C 142 180.733 180.733 178.765 1.968 17850 2528 1 3 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.337 0.873 17850 2529 1 3 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.324 -0.422 17850 2530 1 3 . 1 1 142 142 ALA H H 142 8.399 8.399 7.810 0.589 17850 2531 1 3 . 1 1 143 143 ALA N N 143 120.555 120.555 119.193 1.362 17850 2532 1 3 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.930 0.184 17850 2533 1 3 . 1 1 143 143 ALA C C 143 180.455 180.455 179.504 0.951 17850 2534 1 3 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.557 0.456 17850 2535 1 3 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.049 -1.200 17850 2536 1 3 . 1 1 143 143 ALA H H 143 7.627 7.627 7.442 0.185 17850 2537 1 3 . 1 1 144 144 LEU N N 144 121.054 121.054 115.180 5.874 17850 2538 1 3 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.018 -0.085 17850 2539 1 3 . 1 1 144 144 LEU C C 144 177.756 177.756 177.405 0.351 17850 2540 1 3 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.119 1.577 17850 2541 1 3 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.403 0.435 17850 2542 1 3 . 1 1 144 144 LEU H H 144 8.029 8.029 7.135 0.894 17850 2543 1 3 . 1 1 145 145 LEU N N 145 115.288 115.288 117.791 -2.503 17850 2544 1 3 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.404 -0.431 17850 2545 1 3 . 1 1 145 145 LEU C C 145 177.284 177.284 175.411 1.873 17850 2546 1 3 . 1 1 145 145 LEU CA C 145 55.284 55.284 53.842 1.442 17850 2547 1 3 . 1 1 145 145 LEU CB C 145 41.610 41.610 41.681 -0.071 17850 2548 1 3 . 1 1 145 145 LEU H H 145 7.309 7.309 7.575 -0.266 17850 2549 1 3 . 1 1 146 146 SER N N 146 114.503 114.503 118.352 -3.849 17850 2550 1 3 . 1 1 146 146 SER HA H 146 4.346 4.346 4.649 -0.303 17850 2551 1 3 . 1 1 146 146 SER C C 146 175.125 175.125 173.540 1.585 17850 2552 1 3 . 1 1 146 146 SER CA C 146 59.046 59.046 56.861 2.185 17850 2553 1 3 . 1 1 146 146 SER CB C 146 64.181 64.181 63.230 0.951 17850 2554 1 3 . 1 1 146 146 SER H H 146 7.506 7.506 7.497 0.009 17850 2555 1 3 . 1 1 147 147 LYS N N 147 123.315 123.315 123.207 0.108 17850 2556 1 3 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.643 -0.476 17850 2557 1 3 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.284 1.398 17850 2558 1 3 . 1 1 147 147 LYS H H 147 8.329 8.329 8.469 -0.140 17850 2559 1 3 . 1 1 148 148 GLY N N 148 108.566 108.566 109.684 -1.118 17850 2560 1 3 . 1 1 148 148 GLY C C 148 174.394 174.394 174.767 -0.373 17850 2561 1 3 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.642 -0.114 17850 2562 1 3 . 1 1 148 148 GLY H H 148 8.353 8.353 8.502 -0.149 17850 2563 1 3 . 1 1 149 149 SER N N 149 115.356 115.356 118.049 -2.693 17850 2564 1 3 . 1 1 149 149 SER HA H 149 4.484 4.484 4.787 -0.303 17850 2565 1 3 . 1 1 149 149 SER C C 149 175.038 175.038 174.699 0.339 17850 2566 1 3 . 1 1 149 149 SER CA C 149 58.418 58.418 57.778 0.640 17850 2567 1 3 . 1 1 149 149 SER CB C 149 64.171 64.171 63.776 0.395 17850 2568 1 3 . 1 1 149 149 SER H H 149 7.993 7.993 7.987 0.006 17850 2569 1 3 . 1 1 150 150 SER N N 150 118.028 118.028 112.602 5.426 17850 2570 1 3 . 1 1 150 150 SER HA H 150 4.490 4.490 4.522 -0.032 17850 2571 1 3 . 1 1 150 150 SER C C 150 175.034 175.034 174.277 0.757 17850 2572 1 3 . 1 1 150 150 SER CA C 150 59.029 59.029 57.953 1.076 17850 2573 1 3 . 1 1 150 150 SER CB C 150 63.407 63.407 64.309 -0.902 17850 2574 1 3 . 1 1 150 150 SER H H 150 8.530 8.530 7.849 0.681 17850 2575 1 4 . 1 1 1 1 GLY N N 1 109.911 109.911 111.804 -1.893 17850 2576 1 4 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.743 0.693 17850 2577 1 4 . 1 1 1 1 GLY H H 1 8.410 8.410 8.360 0.050 17850 2578 1 4 . 1 1 2 2 SER N N 2 115.579 115.579 119.765 -4.186 17850 2579 1 4 . 1 1 2 2 SER HA H 2 4.474 4.474 4.589 -0.115 17850 2580 1 4 . 1 1 2 2 SER C C 2 174.661 174.661 172.942 1.719 17850 2581 1 4 . 1 1 2 2 SER CA C 2 58.374 58.374 58.857 -0.483 17850 2582 1 4 . 1 1 2 2 SER CB C 2 63.986 63.986 65.600 -1.614 17850 2583 1 4 . 1 1 2 2 SER H H 2 8.207 8.207 8.492 -0.285 17850 2584 1 4 . 1 1 3 3 SER N N 3 117.154 117.154 117.101 0.053 17850 2585 1 4 . 1 1 3 3 SER HA H 3 4.439 4.439 4.659 -0.220 17850 2586 1 4 . 1 1 3 3 SER C C 3 174.122 174.122 173.471 0.651 17850 2587 1 4 . 1 1 3 3 SER CA C 3 58.695 58.695 58.147 0.548 17850 2588 1 4 . 1 1 3 3 SER CB C 3 63.865 63.865 64.577 -0.712 17850 2589 1 4 . 1 1 3 3 SER H H 3 8.337 8.337 8.596 -0.259 17850 2590 1 4 . 1 1 4 4 ASN N N 4 120.145 120.145 118.820 1.325 17850 2591 1 4 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.184 -0.458 17850 2592 1 4 . 1 1 4 4 ASN C C 4 174.741 174.741 174.973 -0.232 17850 2593 1 4 . 1 1 4 4 ASN CA C 4 53.326 53.326 53.357 -0.031 17850 2594 1 4 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.089 -1.287 17850 2595 1 4 . 1 1 4 4 ASN H H 4 8.432 8.432 8.145 0.287 17850 2596 1 4 . 1 1 5 5 LEU N N 5 121.341 121.341 117.948 3.393 17850 2597 1 4 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.723 -0.044 17850 2598 1 4 . 1 1 5 5 LEU C C 5 177.641 177.641 177.654 -0.013 17850 2599 1 4 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.802 1.663 17850 2600 1 4 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.627 -0.913 17850 2601 1 4 . 1 1 5 5 LEU H H 5 7.966 7.966 8.042 -0.076 17850 2602 1 4 . 1 1 6 6 THR N N 6 113.168 113.168 116.600 -3.432 17850 2603 1 4 . 1 1 6 6 THR HA H 6 4.470 4.470 3.890 0.580 17850 2604 1 4 . 1 1 6 6 THR C C 6 175.390 175.390 176.444 -1.054 17850 2605 1 4 . 1 1 6 6 THR CA C 6 60.543 60.543 65.649 -5.106 17850 2606 1 4 . 1 1 6 6 THR CB C 6 71.190 71.190 68.499 2.691 17850 2607 1 4 . 1 1 6 6 THR H H 6 8.716 8.716 8.866 -0.150 17850 2608 1 4 . 1 1 7 7 GLU N N 7 120.480 120.480 119.545 0.935 17850 2609 1 4 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.132 -0.147 17850 2610 1 4 . 1 1 7 7 GLU C C 7 179.475 179.475 179.637 -0.162 17850 2611 1 4 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.848 1.225 17850 2612 1 4 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.398 -0.105 17850 2613 1 4 . 1 1 7 7 GLU H H 7 8.997 8.997 7.911 1.086 17850 2614 1 4 . 1 1 8 8 GLU N N 8 119.766 119.766 119.511 0.255 17850 2615 1 4 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.255 -0.168 17850 2616 1 4 . 1 1 8 8 GLU C C 8 178.641 178.641 179.124 -0.483 17850 2617 1 4 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.872 0.963 17850 2618 1 4 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.576 -0.178 17850 2619 1 4 . 1 1 8 8 GLU H H 8 8.603 8.603 7.682 0.921 17850 2620 1 4 . 1 1 9 9 GLN N N 9 119.234 119.234 116.244 2.990 17850 2621 1 4 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.427 -0.498 17850 2622 1 4 . 1 1 9 9 GLN C C 9 178.969 178.969 177.653 1.316 17850 2623 1 4 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.285 2.433 17850 2624 1 4 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.805 2.777 17850 2625 1 4 . 1 1 9 9 GLN H H 9 7.730 7.730 8.400 -0.670 17850 2626 1 4 . 1 1 10 10 ILE N N 10 119.661 119.661 117.985 1.676 17850 2627 1 4 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.243 -0.480 17850 2628 1 4 . 1 1 10 10 ILE C C 10 178.040 178.040 176.879 1.161 17850 2629 1 4 . 1 1 10 10 ILE CA C 10 66.221 66.221 62.723 3.498 17850 2630 1 4 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.963 -0.011 17850 2631 1 4 . 1 1 10 10 ILE H H 10 8.398 8.398 7.655 0.743 17850 2632 1 4 . 1 1 11 11 ALA N N 11 121.678 121.678 122.203 -0.525 17850 2633 1 4 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.064 0.069 17850 2634 1 4 . 1 1 11 11 ALA C C 11 181.140 181.140 180.164 0.976 17850 2635 1 4 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.342 1.112 17850 2636 1 4 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.960 -1.048 17850 2637 1 4 . 1 1 11 11 ALA H H 11 8.037 8.037 7.573 0.464 17850 2638 1 4 . 1 1 12 12 GLU N N 12 118.175 118.175 118.276 -0.101 17850 2639 1 4 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.323 -0.205 17850 2640 1 4 . 1 1 12 12 GLU C C 12 180.185 180.185 178.629 1.556 17850 2641 1 4 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.023 0.172 17850 2642 1 4 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.793 0.586 17850 2643 1 4 . 1 1 12 12 GLU H H 12 7.869 7.869 7.651 0.218 17850 2644 1 4 . 1 1 13 13 PHE N N 13 119.011 119.011 119.013 -0.002 17850 2645 1 4 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.195 0.695 17850 2646 1 4 . 1 1 13 13 PHE C C 13 178.486 178.486 178.171 0.315 17850 2647 1 4 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.353 -0.904 17850 2648 1 4 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.230 0.669 17850 2649 1 4 . 1 1 13 13 PHE H H 13 8.429 8.429 8.316 0.113 17850 2650 1 4 . 1 1 14 14 LYS N N 14 123.459 123.459 118.835 4.624 17850 2651 1 4 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.244 -0.212 17850 2652 1 4 . 1 1 14 14 LYS C C 14 179.131 179.131 179.299 -0.168 17850 2653 1 4 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.416 2.074 17850 2654 1 4 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.066 -0.153 17850 2655 1 4 . 1 1 14 14 LYS H H 14 8.925 8.925 8.181 0.744 17850 2656 1 4 . 1 1 15 15 GLU N N 15 119.581 119.581 120.258 -0.677 17850 2657 1 4 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.291 -0.123 17850 2658 1 4 . 1 1 15 15 GLU C C 15 179.163 179.163 177.601 1.562 17850 2659 1 4 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.928 0.457 17850 2660 1 4 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.201 0.186 17850 2661 1 4 . 1 1 15 15 GLU H H 15 8.064 8.064 8.065 -0.001 17850 2662 1 4 . 1 1 16 16 ALA N N 16 120.993 120.993 121.305 -0.312 17850 2663 1 4 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.282 0.960 17850 2664 1 4 . 1 1 16 16 ALA C C 16 177.628 177.628 178.385 -0.757 17850 2665 1 4 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.965 2.220 17850 2666 1 4 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.366 -1.442 17850 2667 1 4 . 1 1 16 16 ALA H H 16 7.801 7.801 7.823 -0.022 17850 2668 1 4 . 1 1 17 17 PHE N N 17 118.745 118.745 120.002 -1.257 17850 2669 1 4 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.477 -1.123 17850 2670 1 4 . 1 1 17 17 PHE C C 17 177.500 177.500 177.064 0.436 17850 2671 1 4 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.087 1.613 17850 2672 1 4 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.025 1.953 17850 2673 1 4 . 1 1 17 17 PHE H H 17 8.469 8.469 7.968 0.501 17850 2674 1 4 . 1 1 18 18 ALA N N 18 119.942 119.942 118.165 1.777 17850 2675 1 4 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.736 0.274 17850 2676 1 4 . 1 1 18 18 ALA C C 18 178.535 178.535 178.468 0.067 17850 2677 1 4 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.133 0.283 17850 2678 1 4 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.303 0.184 17850 2679 1 4 . 1 1 18 18 ALA H H 18 8.187 8.187 7.076 1.111 17850 2680 1 4 . 1 1 19 19 LEU N N 19 116.851 116.851 113.337 3.514 17850 2681 1 4 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.393 -0.433 17850 2682 1 4 . 1 1 19 19 LEU C C 19 176.795 176.795 177.356 -0.561 17850 2683 1 4 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.437 2.998 17850 2684 1 4 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.186 -1.504 17850 2685 1 4 . 1 1 19 19 LEU H H 19 7.254 7.254 7.206 0.048 17850 2686 1 4 . 1 1 20 20 PHE N N 20 111.977 111.977 120.836 -8.859 17850 2687 1 4 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.267 -0.008 17850 2688 1 4 . 1 1 20 20 PHE C C 20 177.033 177.033 176.476 0.557 17850 2689 1 4 . 1 1 20 20 PHE CA C 20 58.656 58.656 58.122 0.534 17850 2690 1 4 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.272 4.892 17850 2691 1 4 . 1 1 20 20 PHE H H 20 7.041 7.041 8.016 -0.975 17850 2692 1 4 . 1 1 21 21 ASP N N 21 116.981 116.981 123.623 -6.642 17850 2693 1 4 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.331 0.254 17850 2694 1 4 . 1 1 21 21 ASP C C 21 177.297 177.297 177.417 -0.120 17850 2695 1 4 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.529 -3.858 17850 2696 1 4 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.530 -1.528 17850 2697 1 4 . 1 1 21 21 ASP H H 21 7.567 7.567 8.190 -0.623 17850 2698 1 4 . 1 1 22 22 LYS N N 22 124.748 124.748 115.751 8.997 17850 2699 1 4 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.148 -0.156 17850 2700 1 4 . 1 1 22 22 LYS C C 22 177.866 177.866 175.898 1.968 17850 2701 1 4 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.538 1.695 17850 2702 1 4 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.237 0.390 17850 2703 1 4 . 1 1 22 22 LYS H H 22 7.820 7.820 8.270 -0.450 17850 2704 1 4 . 1 1 23 23 ASP N N 23 114.211 114.211 117.375 -3.164 17850 2705 1 4 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.458 0.145 17850 2706 1 4 . 1 1 23 23 ASP C C 23 176.266 176.266 175.452 0.814 17850 2707 1 4 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.206 -2.559 17850 2708 1 4 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.587 -0.304 17850 2709 1 4 . 1 1 23 23 ASP H H 23 8.025 8.025 8.211 -0.186 17850 2710 1 4 . 1 1 24 24 ASN N N 24 115.587 115.587 116.641 -1.054 17850 2711 1 4 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.724 -0.335 17850 2712 1 4 . 1 1 24 24 ASN C C 24 174.828 174.828 176.025 -1.197 17850 2713 1 4 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.795 1.712 17850 2714 1 4 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.902 -0.871 17850 2715 1 4 . 1 1 24 24 ASN H H 24 7.962 7.962 8.428 -0.466 17850 2716 1 4 . 1 1 25 25 ASN N N 25 117.385 117.385 117.437 -0.052 17850 2717 1 4 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.708 0.140 17850 2718 1 4 . 1 1 25 25 ASN C C 25 177.553 177.553 174.436 3.117 17850 2719 1 4 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.998 -0.683 17850 2720 1 4 . 1 1 25 25 ASN H H 25 8.489 8.489 7.975 0.514 17850 2721 1 4 . 1 1 26 26 GLY N N 26 113.934 113.934 106.432 7.502 17850 2722 1 4 . 1 1 26 26 GLY C C 26 173.371 173.371 173.588 -0.217 17850 2723 1 4 . 1 1 26 26 GLY CA C 26 45.538 45.538 44.977 0.561 17850 2724 1 4 . 1 1 26 26 GLY H H 26 10.580 10.580 8.366 2.214 17850 2725 1 4 . 1 1 27 27 SER N N 27 113.842 113.842 121.909 -8.067 17850 2726 1 4 . 1 1 27 27 SER HA H 27 5.358 5.358 4.840 0.518 17850 2727 1 4 . 1 1 27 27 SER C C 27 172.645 172.645 175.285 -2.640 17850 2728 1 4 . 1 1 27 27 SER CA C 27 57.474 57.474 57.414 0.059 17850 2729 1 4 . 1 1 27 27 SER CB C 27 66.576 66.576 63.321 3.255 17850 2730 1 4 . 1 1 27 27 SER H H 27 7.793 7.793 9.083 -1.290 17850 2731 1 4 . 1 1 28 28 ILE N N 28 127.597 127.597 128.040 -0.443 17850 2732 1 4 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.179 0.646 17850 2733 1 4 . 1 1 28 28 ILE C C 28 175.890 175.890 177.282 -1.392 17850 2734 1 4 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.640 -0.464 17850 2735 1 4 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.615 -0.521 17850 2736 1 4 . 1 1 28 28 ILE H H 28 9.787 9.787 9.222 0.565 17850 2737 1 4 . 1 1 29 29 SER N N 29 124.860 124.860 118.147 6.713 17850 2738 1 4 . 1 1 29 29 SER HA H 29 4.813 4.813 4.099 0.714 17850 2739 1 4 . 1 1 29 29 SER C C 29 175.477 175.477 176.422 -0.945 17850 2740 1 4 . 1 1 29 29 SER CA C 29 56.583 56.583 61.011 -4.428 17850 2741 1 4 . 1 1 29 29 SER CB C 29 66.269 66.269 62.363 3.906 17850 2742 1 4 . 1 1 29 29 SER H H 29 9.320 9.320 8.430 0.890 17850 2743 1 4 . 1 1 30 30 SER N N 30 117.383 117.383 116.391 0.992 17850 2744 1 4 . 1 1 30 30 SER HA H 30 4.141 4.141 4.458 -0.317 17850 2745 1 4 . 1 1 30 30 SER C C 30 176.531 176.531 175.064 1.467 17850 2746 1 4 . 1 1 30 30 SER CA C 30 62.690 62.690 61.034 1.656 17850 2747 1 4 . 1 1 30 30 SER CB C 30 62.264 62.264 63.528 -1.264 17850 2748 1 4 . 1 1 30 30 SER H H 30 9.554 9.554 8.100 1.454 17850 2749 1 4 . 1 1 31 31 SER N N 31 116.232 116.232 117.540 -1.308 17850 2750 1 4 . 1 1 31 31 SER HA H 31 4.309 4.309 4.266 0.043 17850 2751 1 4 . 1 1 31 31 SER C C 31 178.017 178.017 176.297 1.720 17850 2752 1 4 . 1 1 31 31 SER CA C 31 61.332 61.332 60.151 1.181 17850 2753 1 4 . 1 1 31 31 SER CB C 31 62.512 62.512 63.584 -1.072 17850 2754 1 4 . 1 1 31 31 SER H H 31 8.141 8.141 8.133 0.008 17850 2755 1 4 . 1 1 32 32 GLU N N 32 125.663 125.663 119.389 6.274 17850 2756 1 4 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.030 0.023 17850 2757 1 4 . 1 1 32 32 GLU C C 32 179.222 179.222 178.172 1.050 17850 2758 1 4 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.494 0.205 17850 2759 1 4 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.546 -0.294 17850 2760 1 4 . 1 1 32 32 GLU H H 32 7.947 7.947 8.691 -0.744 17850 2761 1 4 . 1 1 33 33 LEU N N 33 120.624 120.624 118.941 1.683 17850 2762 1 4 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.150 0.018 17850 2763 1 4 . 1 1 33 33 LEU C C 33 178.493 178.493 178.377 0.116 17850 2764 1 4 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.259 1.648 17850 2765 1 4 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.360 0.957 17850 2766 1 4 . 1 1 33 33 LEU H H 33 8.424 8.424 7.638 0.786 17850 2767 1 4 . 1 1 34 34 ALA N N 34 119.635 119.635 121.930 -2.295 17850 2768 1 4 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.044 -0.220 17850 2769 1 4 . 1 1 34 34 ALA C C 34 179.360 179.360 178.661 0.699 17850 2770 1 4 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.830 -0.234 17850 2771 1 4 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.873 -0.196 17850 2772 1 4 . 1 1 34 34 ALA H H 34 8.410 8.410 8.040 0.370 17850 2773 1 4 . 1 1 35 35 THR N N 35 114.602 114.602 115.936 -1.334 17850 2774 1 4 . 1 1 35 35 THR HA H 35 3.886 3.886 4.119 -0.233 17850 2775 1 4 . 1 1 35 35 THR C C 35 177.278 177.278 175.796 1.482 17850 2776 1 4 . 1 1 35 35 THR CA C 35 67.317 67.317 64.611 2.707 17850 2777 1 4 . 1 1 35 35 THR CB C 35 68.774 68.774 69.403 -0.629 17850 2778 1 4 . 1 1 35 35 THR H H 35 8.263 8.263 7.697 0.566 17850 2779 1 4 . 1 1 36 36 VAL N N 36 122.295 122.295 118.791 3.504 17850 2780 1 4 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.577 0.028 17850 2781 1 4 . 1 1 36 36 VAL C C 36 178.653 178.653 178.293 0.360 17850 2782 1 4 . 1 1 36 36 VAL CA C 36 66.738 66.738 67.044 -0.306 17850 2783 1 4 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.308 -0.006 17850 2784 1 4 . 1 1 36 36 VAL H H 36 7.790 7.790 7.540 0.250 17850 2785 1 4 . 1 1 37 37 MET N N 37 117.677 117.677 116.464 1.213 17850 2786 1 4 . 1 1 37 37 MET HA H 37 3.642 3.642 4.279 -0.637 17850 2787 1 4 . 1 1 37 37 MET C C 37 178.172 178.172 178.952 -0.780 17850 2788 1 4 . 1 1 37 37 MET CA C 37 60.506 60.506 58.041 2.466 17850 2789 1 4 . 1 1 37 37 MET CB C 37 32.347 32.347 31.728 0.619 17850 2790 1 4 . 1 1 37 37 MET H H 37 8.081 8.081 8.115 -0.034 17850 2791 1 4 . 1 1 38 38 ARG N N 38 118.309 118.309 121.116 -2.807 17850 2792 1 4 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.052 0.636 17850 2793 1 4 . 1 1 38 38 ARG C C 38 181.486 181.486 177.511 3.975 17850 2794 1 4 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.714 0.387 17850 2795 1 4 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.737 0.275 17850 2796 1 4 . 1 1 38 38 ARG H H 38 8.547 8.547 8.076 0.471 17850 2797 1 4 . 1 1 39 39 SER N N 39 119.250 119.250 113.690 5.560 17850 2798 1 4 . 1 1 39 39 SER HA H 39 4.301 4.301 4.205 0.096 17850 2799 1 4 . 1 1 39 39 SER C C 39 174.899 174.899 175.504 -0.605 17850 2800 1 4 . 1 1 39 39 SER CA C 39 61.925 61.925 59.032 2.893 17850 2801 1 4 . 1 1 39 39 SER CB C 39 62.773 62.773 63.232 -0.459 17850 2802 1 4 . 1 1 39 39 SER H H 39 8.226 8.226 7.760 0.466 17850 2803 1 4 . 1 1 40 40 LEU N N 40 119.516 119.516 117.334 2.182 17850 2804 1 4 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.072 0.198 17850 2805 1 4 . 1 1 40 40 LEU C C 40 176.681 176.681 176.400 0.281 17850 2806 1 4 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.349 0.234 17850 2807 1 4 . 1 1 40 40 LEU H H 40 7.343 7.343 7.961 -0.618 17850 2808 1 4 . 1 1 41 41 GLY N N 41 105.983 105.983 108.553 -2.570 17850 2809 1 4 . 1 1 41 41 GLY C C 41 174.471 174.471 175.342 -0.871 17850 2810 1 4 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.841 0.398 17850 2811 1 4 . 1 1 41 41 GLY H H 41 7.858 7.858 7.878 -0.020 17850 2812 1 4 . 1 1 42 42 LEU N N 42 120.442 120.442 118.906 1.536 17850 2813 1 4 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.519 -0.048 17850 2814 1 4 . 1 1 42 42 LEU C C 42 175.965 175.965 174.608 1.357 17850 2815 1 4 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.558 1.687 17850 2816 1 4 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.057 0.474 17850 2817 1 4 . 1 1 42 42 LEU H H 42 7.707 7.707 8.355 -0.648 17850 2818 1 4 . 1 1 43 43 SER HA H 43 4.798 4.798 4.553 0.245 17850 2819 1 4 . 1 1 43 43 SER CA C 43 54.912 54.912 57.297 -2.385 17850 2820 1 4 . 1 1 43 43 SER CB C 43 63.197 63.197 63.217 -0.020 17850 2821 1 4 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.497 0.295 17850 2822 1 4 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.286 -0.405 17850 2823 1 4 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.488 -1.288 17850 2824 1 4 . 1 1 45 45 SER N N 45 119.898 119.898 122.836 -2.938 17850 2825 1 4 . 1 1 45 45 SER HA H 45 4.611 4.611 4.034 0.577 17850 2826 1 4 . 1 1 45 45 SER C C 45 174.913 174.913 176.275 -1.362 17850 2827 1 4 . 1 1 45 45 SER CA C 45 56.689 56.689 61.678 -4.989 17850 2828 1 4 . 1 1 45 45 SER CB C 45 65.502 65.502 63.507 1.995 17850 2829 1 4 . 1 1 45 45 SER H H 45 9.387 9.387 9.017 0.370 17850 2830 1 4 . 1 1 46 46 GLU N N 46 121.468 121.468 118.274 3.194 17850 2831 1 4 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.182 -0.243 17850 2832 1 4 . 1 1 46 46 GLU C C 46 179.002 179.002 178.746 0.256 17850 2833 1 4 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.265 0.870 17850 2834 1 4 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.808 0.538 17850 2835 1 4 . 1 1 46 46 GLU H H 46 8.913 8.913 8.556 0.357 17850 2836 1 4 . 1 1 47 47 ALA N N 47 121.115 121.115 121.859 -0.744 17850 2837 1 4 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.154 -0.002 17850 2838 1 4 . 1 1 47 47 ALA C C 47 179.962 179.962 180.179 -0.217 17850 2839 1 4 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.623 0.495 17850 2840 1 4 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.068 -0.713 17850 2841 1 4 . 1 1 47 47 ALA H H 47 8.324 8.324 7.526 0.798 17850 2842 1 4 . 1 1 48 48 GLU N N 48 118.713 118.713 119.203 -0.490 17850 2843 1 4 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.842 0.262 17850 2844 1 4 . 1 1 48 48 GLU C C 48 179.558 179.558 178.265 1.293 17850 2845 1 4 . 1 1 48 48 GLU CA C 48 59.218 59.218 60.767 -1.549 17850 2846 1 4 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.553 1.351 17850 2847 1 4 . 1 1 48 48 GLU H H 48 7.756 7.756 8.931 -1.175 17850 2848 1 4 . 1 1 49 49 VAL N N 49 119.108 119.108 119.625 -0.517 17850 2849 1 4 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.926 -0.462 17850 2850 1 4 . 1 1 49 49 VAL C C 49 177.505 177.505 177.970 -0.465 17850 2851 1 4 . 1 1 49 49 VAL CA C 49 67.471 67.471 64.780 2.691 17850 2852 1 4 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.464 -0.023 17850 2853 1 4 . 1 1 49 49 VAL H H 49 8.129 8.129 7.457 0.672 17850 2854 1 4 . 1 1 50 50 ASN N N 50 117.942 117.942 119.598 -1.656 17850 2855 1 4 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.434 -0.046 17850 2856 1 4 . 1 1 50 50 ASN C C 50 177.275 177.275 177.043 0.232 17850 2857 1 4 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.969 0.812 17850 2858 1 4 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.578 -0.181 17850 2859 1 4 . 1 1 50 50 ASN H H 50 8.071 8.071 7.696 0.375 17850 2860 1 4 . 1 1 51 51 ASP N N 51 120.669 120.669 118.437 2.232 17850 2861 1 4 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.482 0.009 17850 2862 1 4 . 1 1 51 51 ASP C C 51 179.203 179.203 178.227 0.976 17850 2863 1 4 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.840 0.755 17850 2864 1 4 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.260 -0.946 17850 2865 1 4 . 1 1 51 51 ASP H H 51 8.364 8.364 8.286 0.078 17850 2866 1 4 . 1 1 52 52 LEU N N 52 122.409 122.409 118.470 3.939 17850 2867 1 4 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.025 0.045 17850 2868 1 4 . 1 1 52 52 LEU C C 52 179.017 179.017 178.148 0.869 17850 2869 1 4 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.835 0.622 17850 2870 1 4 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.257 0.824 17850 2871 1 4 . 1 1 52 52 LEU H H 52 8.018 8.018 8.269 -0.251 17850 2872 1 4 . 1 1 53 53 MET N N 53 117.391 117.391 118.325 -0.934 17850 2873 1 4 . 1 1 53 53 MET HA H 53 4.112 4.112 4.369 -0.257 17850 2874 1 4 . 1 1 53 53 MET CA C 53 57.472 57.472 57.831 -0.359 17850 2875 1 4 . 1 1 53 53 MET CB C 53 30.021 30.021 33.033 -3.012 17850 2876 1 4 . 1 1 53 53 MET H H 53 8.562 8.562 8.541 0.021 17850 2877 1 4 . 1 1 54 54 ASN N N 54 115.554 115.554 115.514 0.040 17850 2878 1 4 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.726 -0.168 17850 2879 1 4 . 1 1 54 54 ASN C C 54 176.801 176.801 175.255 1.546 17850 2880 1 4 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.325 1.972 17850 2881 1 4 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.168 -1.011 17850 2882 1 4 . 1 1 54 54 ASN H H 54 8.204 8.204 8.257 -0.053 17850 2883 1 4 . 1 1 55 55 GLU N N 55 117.659 117.659 115.615 2.044 17850 2884 1 4 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.363 -0.161 17850 2885 1 4 . 1 1 55 55 GLU C C 55 177.093 177.093 177.119 -0.026 17850 2886 1 4 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.658 2.169 17850 2887 1 4 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.241 -0.221 17850 2888 1 4 . 1 1 55 55 GLU H H 55 7.617 7.617 7.417 0.200 17850 2889 1 4 . 1 1 56 56 ILE N N 56 117.618 117.618 123.463 -5.845 17850 2890 1 4 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.237 -0.353 17850 2891 1 4 . 1 1 56 56 ILE C C 56 176.029 176.029 176.743 -0.714 17850 2892 1 4 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.932 -0.118 17850 2893 1 4 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.499 1.429 17850 2894 1 4 . 1 1 56 56 ILE H H 56 7.472 7.472 8.056 -0.584 17850 2895 1 4 . 1 1 57 57 ASP N N 57 118.636 118.636 125.029 -6.393 17850 2896 1 4 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.483 -0.071 17850 2897 1 4 . 1 1 57 57 ASP C C 57 175.691 175.691 176.805 -1.114 17850 2898 1 4 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.864 -1.331 17850 2899 1 4 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.363 -0.118 17850 2900 1 4 . 1 1 57 57 ASP H H 57 8.304 8.304 8.971 -0.667 17850 2901 1 4 . 1 1 58 58 VAL N N 58 126.376 126.376 118.195 8.181 17850 2902 1 4 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.096 -0.102 17850 2903 1 4 . 1 1 58 58 VAL C C 58 177.258 177.258 176.913 0.345 17850 2904 1 4 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.710 2.624 17850 2905 1 4 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.794 1.513 17850 2906 1 4 . 1 1 58 58 VAL H H 58 7.926 7.926 7.525 0.401 17850 2907 1 4 . 1 1 59 59 ASP N N 59 117.093 117.093 119.831 -2.738 17850 2908 1 4 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.252 0.305 17850 2909 1 4 . 1 1 59 59 ASP C C 59 177.759 177.759 176.780 0.979 17850 2910 1 4 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.953 -1.077 17850 2911 1 4 . 1 1 59 59 ASP H H 59 8.363 8.363 8.252 0.111 17850 2912 1 4 . 1 1 60 60 GLY N N 60 108.290 108.290 108.534 -0.244 17850 2913 1 4 . 1 1 60 60 GLY C C 60 174.700 174.700 175.311 -0.611 17850 2914 1 4 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.036 3.084 17850 2915 1 4 . 1 1 60 60 GLY H H 60 7.636 7.636 8.834 -1.198 17850 2916 1 4 . 1 1 61 61 ASN N N 61 118.884 118.884 115.555 3.329 17850 2917 1 4 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.229 0.300 17850 2918 1 4 . 1 1 61 61 ASN C C 61 175.856 175.856 172.836 3.020 17850 2919 1 4 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.795 -2.435 17850 2920 1 4 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.755 0.422 17850 2921 1 4 . 1 1 61 61 ASN H H 61 8.078 8.078 9.011 -0.933 17850 2922 1 4 . 1 1 62 62 HIS N N 62 117.381 117.381 111.891 5.490 17850 2923 1 4 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.064 -1.187 17850 2924 1 4 . 1 1 62 62 HIS C C 62 172.310 172.310 173.628 -1.318 17850 2925 1 4 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.138 2.235 17850 2926 1 4 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.304 -8.570 17850 2927 1 4 . 1 1 62 62 HIS H H 62 9.958 9.958 8.069 1.889 17850 2928 1 4 . 1 1 63 63 GLN N N 63 112.906 112.906 119.538 -6.632 17850 2929 1 4 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.005 -0.173 17850 2930 1 4 . 1 1 63 63 GLN C C 63 174.861 174.861 175.880 -1.019 17850 2931 1 4 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.207 -0.332 17850 2932 1 4 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.735 1.415 17850 2933 1 4 . 1 1 63 63 GLN H H 63 7.535 7.535 8.252 -0.717 17850 2934 1 4 . 1 1 64 64 ILE N N 64 124.083 124.083 126.941 -2.858 17850 2935 1 4 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.838 0.234 17850 2936 1 4 . 1 1 64 64 ILE C C 64 176.670 176.670 176.356 0.314 17850 2937 1 4 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.461 0.210 17850 2938 1 4 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.020 -1.853 17850 2939 1 4 . 1 1 64 64 ILE H H 64 9.274 9.274 8.200 1.074 17850 2940 1 4 . 1 1 65 65 GLU N N 65 129.276 129.276 120.764 8.512 17850 2941 1 4 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.794 2.246 17850 2942 1 4 . 1 1 65 65 GLU C C 65 178.156 178.156 176.749 1.407 17850 2943 1 4 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.486 0.362 17850 2944 1 4 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.520 1.660 17850 2945 1 4 . 1 1 65 65 GLU H H 65 8.848 8.848 9.111 -0.263 17850 2946 1 4 . 1 1 66 66 PHE N N 66 124.260 124.260 119.260 5.000 17850 2947 1 4 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.926 -0.236 17850 2948 1 4 . 1 1 66 66 PHE C C 66 177.294 177.294 177.335 -0.041 17850 2949 1 4 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.126 1.894 17850 2950 1 4 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.752 -0.798 17850 2951 1 4 . 1 1 66 66 PHE H H 66 9.353 9.353 7.691 1.662 17850 2952 1 4 . 1 1 67 67 SER N N 67 112.827 112.827 119.023 -6.196 17850 2953 1 4 . 1 1 67 67 SER HA H 67 3.726 3.726 4.062 -0.336 17850 2954 1 4 . 1 1 67 67 SER C C 67 177.352 177.352 176.703 0.649 17850 2955 1 4 . 1 1 67 67 SER CA C 67 61.581 61.581 61.382 0.200 17850 2956 1 4 . 1 1 67 67 SER CB C 67 61.379 61.379 62.985 -1.606 17850 2957 1 4 . 1 1 67 67 SER H H 67 9.035 9.035 8.093 0.942 17850 2958 1 4 . 1 1 68 68 GLU N N 68 123.071 123.071 120.026 3.045 17850 2959 1 4 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.985 0.150 17850 2960 1 4 . 1 1 68 68 GLU C C 68 178.895 178.895 177.695 1.200 17850 2961 1 4 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.133 -2.155 17850 2962 1 4 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.066 -0.789 17850 2963 1 4 . 1 1 68 68 GLU H H 68 6.829 6.829 8.604 -1.775 17850 2964 1 4 . 1 1 69 69 PHE N N 69 123.805 123.805 117.224 6.581 17850 2965 1 4 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.933 -0.034 17850 2966 1 4 . 1 1 69 69 PHE C C 69 176.325 176.325 176.752 -0.427 17850 2967 1 4 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.360 1.066 17850 2968 1 4 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.902 2.526 17850 2969 1 4 . 1 1 69 69 PHE H H 69 8.245 8.245 7.399 0.846 17850 2970 1 4 . 1 1 70 70 LEU N N 70 119.210 119.210 118.703 0.507 17850 2971 1 4 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.923 -0.687 17850 2972 1 4 . 1 1 70 70 LEU C C 70 179.131 179.131 178.602 0.529 17850 2973 1 4 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.816 0.661 17850 2974 1 4 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.555 -0.227 17850 2975 1 4 . 1 1 70 70 LEU H H 70 8.788 8.788 7.667 1.121 17850 2976 1 4 . 1 1 71 71 ALA N N 71 121.612 121.612 122.416 -0.804 17850 2977 1 4 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.010 -0.101 17850 2978 1 4 . 1 1 71 71 ALA C C 71 179.804 179.804 179.518 0.286 17850 2979 1 4 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.624 0.492 17850 2980 1 4 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.859 -1.097 17850 2981 1 4 . 1 1 71 71 ALA H H 71 7.365 7.365 7.731 -0.366 17850 2982 1 4 . 1 1 72 72 LEU N N 72 118.944 118.944 119.301 -0.357 17850 2983 1 4 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.769 0.195 17850 2984 1 4 . 1 1 72 72 LEU C C 72 178.415 178.415 178.786 -0.371 17850 2985 1 4 . 1 1 72 72 LEU CA C 72 57.817 57.817 58.302 -0.485 17850 2986 1 4 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.126 0.342 17850 2987 1 4 . 1 1 72 72 LEU H H 72 7.142 7.142 7.626 -0.484 17850 2988 1 4 . 1 1 73 73 MET N N 73 114.500 114.500 116.778 -2.278 17850 2989 1 4 . 1 1 73 73 MET HA H 73 3.978 3.978 4.268 -0.290 17850 2990 1 4 . 1 1 73 73 MET C C 73 178.283 178.283 176.866 1.417 17850 2991 1 4 . 1 1 73 73 MET CA C 73 55.701 55.701 57.286 -1.585 17850 2992 1 4 . 1 1 73 73 MET CB C 73 30.742 30.742 32.817 -2.075 17850 2993 1 4 . 1 1 73 73 MET H H 73 7.726 7.726 7.736 -0.010 17850 2994 1 4 . 1 1 74 74 SER N N 74 112.626 112.626 116.040 -3.414 17850 2995 1 4 . 1 1 74 74 SER HA H 74 4.287 4.287 4.644 -0.357 17850 2996 1 4 . 1 1 74 74 SER C C 74 174.717 174.717 173.318 1.399 17850 2997 1 4 . 1 1 74 74 SER CA C 74 59.582 59.582 57.848 1.734 17850 2998 1 4 . 1 1 74 74 SER CB C 74 63.746 63.746 62.438 1.308 17850 2999 1 4 . 1 1 74 74 SER H H 74 7.857 7.857 7.907 -0.050 17850 3000 1 4 . 1 1 75 75 ARG N N 75 122.130 122.130 119.559 2.571 17850 3001 1 4 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.449 -0.302 17850 3002 1 4 . 1 1 75 75 ARG CA C 75 57.775 57.775 57.311 0.464 17850 3003 1 4 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.559 -1.893 17850 3004 1 4 . 1 1 75 75 ARG H H 75 7.208 7.208 8.298 -1.090 17850 3005 1 4 . 1 1 76 76 GLN N N 76 121.749 121.749 116.094 5.655 17850 3006 1 4 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.568 -0.284 17850 3007 1 4 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.044 1.149 17850 3008 1 4 . 1 1 76 76 GLN CB C 76 29.057 29.057 29.248 -0.191 17850 3009 1 4 . 1 1 76 76 GLN H H 76 8.327 8.327 8.101 0.226 17850 3010 1 4 . 1 1 77 77 LEU N N 77 124.093 124.093 118.681 5.412 17850 3011 1 4 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.489 -0.050 17850 3012 1 4 . 1 1 77 77 LEU C C 77 177.670 177.670 178.387 -0.717 17850 3013 1 4 . 1 1 77 77 LEU CA C 77 55.283 55.283 54.948 0.335 17850 3014 1 4 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.593 0.187 17850 3015 1 4 . 1 1 77 77 LEU H H 77 8.264 8.264 8.218 0.046 17850 3016 1 4 . 1 1 78 78 LYS N N 78 121.053 121.053 120.996 0.057 17850 3017 1 4 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.238 0.169 17850 3018 1 4 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.800 -1.615 17850 3019 1 4 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.684 0.593 17850 3020 1 4 . 1 1 78 78 LYS H H 78 8.433 8.433 8.173 0.260 17850 3021 1 4 . 1 1 79 79 SER N N 79 116.423 116.423 118.292 -1.869 17850 3022 1 4 . 1 1 79 79 SER HA H 79 4.321 4.321 4.313 0.008 17850 3023 1 4 . 1 1 79 79 SER C C 79 175.145 175.145 174.134 1.011 17850 3024 1 4 . 1 1 79 79 SER CA C 79 59.795 59.795 58.242 1.553 17850 3025 1 4 . 1 1 79 79 SER CB C 79 63.226 63.226 62.106 1.120 17850 3026 1 4 . 1 1 79 79 SER H H 79 8.448 8.448 8.524 -0.076 17850 3027 1 4 . 1 1 80 80 ASN N N 80 119.581 119.581 120.177 -0.596 17850 3028 1 4 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.390 0.309 17850 3029 1 4 . 1 1 80 80 ASN C C 80 175.726 175.726 176.889 -1.163 17850 3030 1 4 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.440 -2.027 17850 3031 1 4 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.584 1.004 17850 3032 1 4 . 1 1 80 80 ASN H H 80 8.513 8.513 8.717 -0.204 17850 3033 1 4 . 1 1 81 81 ASP N N 81 120.378 120.378 121.168 -0.790 17850 3034 1 4 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.449 0.181 17850 3035 1 4 . 1 1 81 81 ASP C C 81 177.281 177.281 178.262 -0.981 17850 3036 1 4 . 1 1 81 81 ASP CA C 81 55.593 55.593 56.980 -1.387 17850 3037 1 4 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.205 1.401 17850 3038 1 4 . 1 1 81 81 ASP H H 81 7.957 7.957 8.706 -0.749 17850 3039 1 4 . 1 1 82 82 SER N N 82 117.046 117.046 116.244 0.802 17850 3040 1 4 . 1 1 82 82 SER HA H 82 4.194 4.194 4.170 0.024 17850 3041 1 4 . 1 1 82 82 SER C C 82 176.745 176.745 176.369 0.376 17850 3042 1 4 . 1 1 82 82 SER CA C 82 61.376 61.376 60.605 0.771 17850 3043 1 4 . 1 1 82 82 SER CB C 82 62.896 62.896 62.694 0.202 17850 3044 1 4 . 1 1 82 82 SER H H 82 8.469 8.469 8.568 -0.099 17850 3045 1 4 . 1 1 83 83 GLU N N 83 122.405 122.405 120.386 2.019 17850 3046 1 4 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.232 -0.132 17850 3047 1 4 . 1 1 83 83 GLU C C 83 178.740 178.740 178.049 0.691 17850 3048 1 4 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.255 0.210 17850 3049 1 4 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.989 -0.585 17850 3050 1 4 . 1 1 83 83 GLU H H 83 8.357 8.357 8.184 0.173 17850 3051 1 4 . 1 1 84 84 GLN N N 84 118.604 118.604 121.014 -2.410 17850 3052 1 4 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.016 0.093 17850 3053 1 4 . 1 1 84 84 GLN C C 84 178.533 178.533 178.658 -0.125 17850 3054 1 4 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.892 -0.425 17850 3055 1 4 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.162 0.259 17850 3056 1 4 . 1 1 84 84 GLN H H 84 7.988 7.988 8.500 -0.512 17850 3057 1 4 . 1 1 85 85 GLU N N 85 119.418 119.418 118.634 0.784 17850 3058 1 4 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.094 -0.152 17850 3059 1 4 . 1 1 85 85 GLU C C 85 178.250 178.250 178.505 -0.255 17850 3060 1 4 . 1 1 85 85 GLU CA C 85 60.124 60.124 60.054 0.070 17850 3061 1 4 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.656 -0.084 17850 3062 1 4 . 1 1 85 85 GLU H H 85 8.228 8.228 8.371 -0.143 17850 3063 1 4 . 1 1 86 86 LEU N N 86 120.010 120.010 118.479 1.531 17850 3064 1 4 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.024 0.135 17850 3065 1 4 . 1 1 86 86 LEU C C 86 178.534 178.534 179.053 -0.519 17850 3066 1 4 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.261 -0.054 17850 3067 1 4 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.978 0.647 17850 3068 1 4 . 1 1 86 86 LEU H H 86 7.797 7.797 7.495 0.302 17850 3069 1 4 . 1 1 87 87 LEU N N 87 119.111 119.111 120.126 -1.015 17850 3070 1 4 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.098 0.006 17850 3071 1 4 . 1 1 87 87 LEU C C 87 179.333 179.333 179.367 -0.034 17850 3072 1 4 . 1 1 87 87 LEU CA C 87 58.243 58.243 57.971 0.272 17850 3073 1 4 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.947 -0.181 17850 3074 1 4 . 1 1 87 87 LEU H H 87 7.825 7.825 8.695 -0.870 17850 3075 1 4 . 1 1 88 88 GLU N N 88 117.514 117.514 119.622 -2.108 17850 3076 1 4 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.491 -0.390 17850 3077 1 4 . 1 1 88 88 GLU C C 88 179.461 179.461 178.992 0.469 17850 3078 1 4 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.177 -0.161 17850 3079 1 4 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.211 -0.541 17850 3080 1 4 . 1 1 88 88 GLU H H 88 8.265 8.265 8.579 -0.314 17850 3081 1 4 . 1 1 89 89 ALA N N 89 120.734 120.734 124.580 -3.846 17850 3082 1 4 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.893 0.274 17850 3083 1 4 . 1 1 89 89 ALA C C 89 178.362 178.362 178.588 -0.226 17850 3084 1 4 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.509 0.568 17850 3085 1 4 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.281 -1.298 17850 3086 1 4 . 1 1 89 89 ALA H H 89 8.192 8.192 8.752 -0.560 17850 3087 1 4 . 1 1 90 90 PHE N N 90 119.339 119.339 118.737 0.602 17850 3088 1 4 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.021 -0.822 17850 3089 1 4 . 1 1 90 90 PHE C C 90 177.497 177.497 177.826 -0.329 17850 3090 1 4 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.994 1.191 17850 3091 1 4 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.407 1.413 17850 3092 1 4 . 1 1 90 90 PHE H H 90 8.685 8.685 7.869 0.816 17850 3093 1 4 . 1 1 91 91 LYS N N 91 116.189 116.189 119.346 -3.157 17850 3094 1 4 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.978 -0.030 17850 3095 1 4 . 1 1 91 91 LYS C C 91 178.236 178.236 177.903 0.333 17850 3096 1 4 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.897 -0.383 17850 3097 1 4 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.481 0.390 17850 3098 1 4 . 1 1 91 91 LYS H H 91 8.112 8.112 8.147 -0.035 17850 3099 1 4 . 1 1 92 92 VAL N N 92 117.696 117.696 116.857 0.839 17850 3100 1 4 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.853 -0.281 17850 3101 1 4 . 1 1 92 92 VAL C C 92 176.545 176.545 177.102 -0.557 17850 3102 1 4 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.245 0.327 17850 3103 1 4 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.268 -0.842 17850 3104 1 4 . 1 1 92 92 VAL H H 92 7.383 7.383 7.549 -0.166 17850 3105 1 4 . 1 1 93 93 PHE N N 93 114.826 114.826 117.502 -2.676 17850 3106 1 4 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.451 -0.224 17850 3107 1 4 . 1 1 93 93 PHE C C 93 176.417 176.417 176.121 0.296 17850 3108 1 4 . 1 1 93 93 PHE CA C 93 59.600 59.600 59.041 0.559 17850 3109 1 4 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.854 2.342 17850 3110 1 4 . 1 1 93 93 PHE H H 93 7.116 7.116 7.985 -0.869 17850 3111 1 4 . 1 1 94 94 ASP N N 94 116.753 116.753 124.244 -7.491 17850 3112 1 4 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.526 0.005 17850 3113 1 4 . 1 1 94 94 ASP C C 94 177.305 177.305 177.102 0.203 17850 3114 1 4 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.271 -2.800 17850 3115 1 4 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.534 -1.693 17850 3116 1 4 . 1 1 94 94 ASP H H 94 7.849 7.849 8.154 -0.305 17850 3117 1 4 . 1 1 95 95 LYS N N 95 125.185 125.185 119.361 5.824 17850 3118 1 4 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.185 -0.182 17850 3119 1 4 . 1 1 95 95 LYS C C 95 178.261 178.261 177.041 1.220 17850 3120 1 4 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.737 1.339 17850 3121 1 4 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.501 -1.311 17850 3122 1 4 . 1 1 95 95 LYS H H 95 7.755 7.755 7.766 -0.011 17850 3123 1 4 . 1 1 96 96 ASN N N 96 112.542 112.542 119.952 -7.410 17850 3124 1 4 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.374 0.411 17850 3125 1 4 . 1 1 96 96 ASN C C 96 176.469 176.469 174.347 2.122 17850 3126 1 4 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.013 -1.151 17850 3127 1 4 . 1 1 96 96 ASN H H 96 8.069 8.069 8.335 -0.266 17850 3128 1 4 . 1 1 97 97 GLY N N 97 109.956 109.956 110.826 -0.870 17850 3129 1 4 . 1 1 97 97 GLY C C 97 175.032 175.032 175.713 -0.681 17850 3130 1 4 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.357 3.351 17850 3131 1 4 . 1 1 97 97 GLY H H 97 7.686 7.686 8.814 -1.128 17850 3132 1 4 . 1 1 98 98 ASP N N 98 119.383 119.383 120.249 -0.866 17850 3133 1 4 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.312 0.241 17850 3134 1 4 . 1 1 98 98 ASP C C 98 177.274 177.274 174.612 2.662 17850 3135 1 4 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.919 -1.585 17850 3136 1 4 . 1 1 98 98 ASP H H 98 8.249 8.249 8.111 0.138 17850 3137 1 4 . 1 1 99 99 GLY N N 99 112.398 112.398 105.871 6.527 17850 3138 1 4 . 1 1 99 99 GLY C C 99 173.128 173.128 173.990 -0.862 17850 3139 1 4 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.681 2.048 17850 3140 1 4 . 1 1 99 99 GLY H H 99 10.390 10.390 8.144 2.246 17850 3141 1 4 . 1 1 100 100 LEU N N 100 120.803 120.803 125.151 -4.348 17850 3142 1 4 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.735 0.530 17850 3143 1 4 . 1 1 100 100 LEU C C 100 176.427 176.427 177.453 -1.026 17850 3144 1 4 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.051 -2.275 17850 3145 1 4 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.281 4.920 17850 3146 1 4 . 1 1 100 100 LEU H H 100 7.987 7.987 8.904 -0.917 17850 3147 1 4 . 1 1 101 101 ILE N N 101 125.286 125.286 128.346 -3.060 17850 3148 1 4 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.290 0.432 17850 3149 1 4 . 1 1 101 101 ILE C C 101 175.432 175.432 177.073 -1.641 17850 3150 1 4 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.997 -0.748 17850 3151 1 4 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.303 -0.239 17850 3152 1 4 . 1 1 101 101 ILE H H 101 9.698 9.698 8.790 0.908 17850 3153 1 4 . 1 1 102 102 SER N N 102 123.133 123.133 116.564 6.569 17850 3154 1 4 . 1 1 102 102 SER HA H 102 4.969 4.969 4.152 0.817 17850 3155 1 4 . 1 1 102 102 SER C C 102 175.298 175.298 176.016 -0.718 17850 3156 1 4 . 1 1 102 102 SER CA C 102 55.994 55.994 61.653 -5.659 17850 3157 1 4 . 1 1 102 102 SER CB C 102 66.456 66.456 62.355 4.101 17850 3158 1 4 . 1 1 102 102 SER H H 102 9.095 9.095 8.972 0.123 17850 3159 1 4 . 1 1 103 103 ALA N N 103 122.886 122.886 121.503 1.383 17850 3160 1 4 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.844 0.045 17850 3161 1 4 . 1 1 103 103 ALA C C 103 179.237 179.237 179.795 -0.558 17850 3162 1 4 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.094 0.988 17850 3163 1 4 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.743 0.314 17850 3164 1 4 . 1 1 103 103 ALA H H 103 8.691 8.691 8.705 -0.014 17850 3165 1 4 . 1 1 104 104 ALA N N 104 118.317 118.317 119.549 -1.232 17850 3166 1 4 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.687 0.387 17850 3167 1 4 . 1 1 104 104 ALA C C 104 181.451 181.451 179.324 2.127 17850 3168 1 4 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.944 0.341 17850 3169 1 4 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.375 0.060 17850 3170 1 4 . 1 1 104 104 ALA H H 104 8.392 8.392 8.428 -0.036 17850 3171 1 4 . 1 1 105 105 GLU N N 105 120.398 120.398 118.071 2.327 17850 3172 1 4 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.641 -0.581 17850 3173 1 4 . 1 1 105 105 GLU C C 105 179.223 179.223 177.418 1.805 17850 3174 1 4 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.755 -0.292 17850 3175 1 4 . 1 1 105 105 GLU CB C 105 29.151 29.151 29.996 -0.845 17850 3176 1 4 . 1 1 105 105 GLU H H 105 7.879 7.879 8.235 -0.356 17850 3177 1 4 . 1 1 106 106 LEU N N 106 120.023 120.023 119.877 0.146 17850 3178 1 4 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.897 0.266 17850 3179 1 4 . 1 1 106 106 LEU C C 106 178.503 178.503 178.850 -0.347 17850 3180 1 4 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.495 0.194 17850 3181 1 4 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.867 1.421 17850 3182 1 4 . 1 1 106 106 LEU H H 106 8.479 8.479 8.696 -0.217 17850 3183 1 4 . 1 1 107 107 LYS N N 107 117.064 117.064 120.183 -3.119 17850 3184 1 4 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.938 -0.120 17850 3185 1 4 . 1 1 107 107 LYS C C 107 179.039 179.039 178.884 0.155 17850 3186 1 4 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.245 1.063 17850 3187 1 4 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.008 0.881 17850 3188 1 4 . 1 1 107 107 LYS H H 107 8.758 8.758 8.466 0.292 17850 3189 1 4 . 1 1 108 108 HIS N N 108 119.125 119.125 118.448 0.677 17850 3190 1 4 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.532 0.784 17850 3191 1 4 . 1 1 108 108 HIS C C 108 178.394 178.394 176.545 1.849 17850 3192 1 4 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.580 0.607 17850 3193 1 4 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.244 1.248 17850 3194 1 4 . 1 1 108 108 HIS H H 108 8.287 8.287 7.585 0.702 17850 3195 1 4 . 1 1 109 109 VAL N N 109 119.525 119.525 118.223 1.302 17850 3196 1 4 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.689 -0.204 17850 3197 1 4 . 1 1 109 109 VAL C C 109 178.246 178.246 178.205 0.041 17850 3198 1 4 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.530 1.180 17850 3199 1 4 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.933 0.639 17850 3200 1 4 . 1 1 109 109 VAL H H 109 7.915 7.915 8.189 -0.274 17850 3201 1 4 . 1 1 110 110 LEU N N 110 117.403 117.403 120.625 -3.222 17850 3202 1 4 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.013 -0.034 17850 3203 1 4 . 1 1 110 110 LEU C C 110 178.968 178.968 178.934 0.034 17850 3204 1 4 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.938 -0.720 17850 3205 1 4 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.726 -1.198 17850 3206 1 4 . 1 1 110 110 LEU H H 110 8.269 8.269 8.362 -0.093 17850 3207 1 4 . 1 1 111 111 THR N N 111 114.122 114.122 113.918 0.204 17850 3208 1 4 . 1 1 111 111 THR HA H 111 4.184 4.184 3.981 0.203 17850 3209 1 4 . 1 1 111 111 THR C C 111 178.534 178.534 174.864 3.670 17850 3210 1 4 . 1 1 111 111 THR CA C 111 66.252 66.252 64.169 2.083 17850 3211 1 4 . 1 1 111 111 THR CB C 111 68.851 68.851 68.298 0.553 17850 3212 1 4 . 1 1 111 111 THR H H 111 8.441 8.441 7.798 0.643 17850 3213 1 4 . 1 1 112 112 SER N N 112 119.981 119.981 105.610 14.371 17850 3214 1 4 . 1 1 112 112 SER HA H 112 4.215 4.215 4.671 -0.456 17850 3215 1 4 . 1 1 112 112 SER C C 112 175.523 175.523 174.704 0.819 17850 3216 1 4 . 1 1 112 112 SER CA C 112 62.197 62.197 58.210 3.987 17850 3217 1 4 . 1 1 112 112 SER CB C 112 62.936 62.936 65.109 -2.173 17850 3218 1 4 . 1 1 112 112 SER H H 112 7.910 7.910 7.157 0.753 17850 3219 1 4 . 1 1 113 113 ILE N N 113 112.726 112.726 119.383 -6.657 17850 3220 1 4 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.905 0.579 17850 3221 1 4 . 1 1 113 113 ILE C C 113 175.636 175.636 174.975 0.661 17850 3222 1 4 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.398 -0.643 17850 3223 1 4 . 1 1 113 113 ILE H H 113 7.473 7.473 7.611 -0.138 17850 3224 1 4 . 1 1 114 114 GLY N N 114 108.354 108.354 112.686 -4.332 17850 3225 1 4 . 1 1 114 114 GLY C C 114 174.583 174.583 174.344 0.239 17850 3226 1 4 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.605 0.245 17850 3227 1 4 . 1 1 114 114 GLY H H 114 7.652 7.652 8.195 -0.543 17850 3228 1 4 . 1 1 115 115 GLU N N 115 120.283 120.283 123.777 -3.494 17850 3229 1 4 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.615 -0.310 17850 3230 1 4 . 1 1 115 115 GLU C C 115 175.444 175.444 175.475 -0.031 17850 3231 1 4 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.199 -0.067 17850 3232 1 4 . 1 1 115 115 GLU CB C 115 30.250 30.250 29.613 0.637 17850 3233 1 4 . 1 1 115 115 GLU H H 115 8.045 8.045 8.166 -0.121 17850 3234 1 4 . 1 1 116 116 LYS N N 116 124.370 124.370 126.047 -1.677 17850 3235 1 4 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.867 -0.445 17850 3236 1 4 . 1 1 116 116 LYS C C 116 175.287 175.287 177.218 -1.931 17850 3237 1 4 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.030 0.605 17850 3238 1 4 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.108 -2.966 17850 3239 1 4 . 1 1 116 116 LYS H H 116 8.571 8.571 8.242 0.329 17850 3240 1 4 . 1 1 117 117 LEU N N 117 125.492 125.492 121.272 4.220 17850 3241 1 4 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.299 0.485 17850 3242 1 4 . 1 1 117 117 LEU C C 117 177.161 177.161 177.688 -0.527 17850 3243 1 4 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.836 0.397 17850 3244 1 4 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.766 1.232 17850 3245 1 4 . 1 1 117 117 LEU H H 117 8.042 8.042 9.046 -1.004 17850 3246 1 4 . 1 1 118 118 THR N N 118 113.255 113.255 117.527 -4.272 17850 3247 1 4 . 1 1 118 118 THR HA H 118 4.497 4.497 3.999 0.498 17850 3248 1 4 . 1 1 118 118 THR C C 118 175.335 175.335 176.291 -0.956 17850 3249 1 4 . 1 1 118 118 THR CA C 118 60.434 60.434 66.415 -5.981 17850 3250 1 4 . 1 1 118 118 THR CB C 118 71.193 71.193 68.641 2.552 17850 3251 1 4 . 1 1 118 118 THR H H 118 8.995 8.995 8.811 0.184 17850 3252 1 4 . 1 1 119 119 ASP N N 119 120.837 120.837 119.285 1.552 17850 3253 1 4 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.608 -0.376 17850 3254 1 4 . 1 1 119 119 ASP C C 119 178.422 178.422 178.278 0.144 17850 3255 1 4 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.531 1.566 17850 3256 1 4 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.636 -0.661 17850 3257 1 4 . 1 1 119 119 ASP H H 119 8.743 8.743 7.714 1.029 17850 3258 1 4 . 1 1 120 120 ALA N N 120 121.309 121.309 121.909 -0.600 17850 3259 1 4 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.053 0.113 17850 3260 1 4 . 1 1 120 120 ALA C C 120 179.796 179.796 179.987 -0.191 17850 3261 1 4 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.863 0.165 17850 3262 1 4 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.158 -0.838 17850 3263 1 4 . 1 1 120 120 ALA H H 120 8.304 8.304 7.655 0.649 17850 3264 1 4 . 1 1 121 121 GLU N N 121 118.068 118.068 120.697 -2.629 17850 3265 1 4 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.040 0.017 17850 3266 1 4 . 1 1 121 121 GLU C C 121 180.035 180.035 177.057 2.978 17850 3267 1 4 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.179 -0.941 17850 3268 1 4 . 1 1 121 121 GLU CB C 121 30.429 30.429 30.195 0.234 17850 3269 1 4 . 1 1 121 121 GLU H H 121 7.705 7.705 8.574 -0.869 17850 3270 1 4 . 1 1 122 122 VAL N N 122 120.636 120.636 118.003 2.633 17850 3271 1 4 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.799 -0.262 17850 3272 1 4 . 1 1 122 122 VAL C C 122 177.120 177.120 177.376 -0.256 17850 3273 1 4 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.730 1.312 17850 3274 1 4 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.880 -0.488 17850 3275 1 4 . 1 1 122 122 VAL H H 122 7.935 7.935 7.910 0.025 17850 3276 1 4 . 1 1 123 123 ASP N N 123 120.336 120.336 117.832 2.504 17850 3277 1 4 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.532 -0.229 17850 3278 1 4 . 1 1 123 123 ASP C C 123 179.023 179.023 177.918 1.105 17850 3279 1 4 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.078 1.865 17850 3280 1 4 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.250 -0.579 17850 3281 1 4 . 1 1 123 123 ASP H H 123 8.204 8.204 7.621 0.583 17850 3282 1 4 . 1 1 124 124 ASP N N 124 118.890 118.890 120.630 -1.740 17850 3283 1 4 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.319 0.021 17850 3284 1 4 . 1 1 124 124 ASP C C 124 178.527 178.527 177.828 0.699 17850 3285 1 4 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.188 0.335 17850 3286 1 4 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.861 -0.041 17850 3287 1 4 . 1 1 124 124 ASP H H 124 8.272 8.272 7.759 0.513 17850 3288 1 4 . 1 1 125 125 MET N N 125 119.365 119.365 116.655 2.710 17850 3289 1 4 . 1 1 125 125 MET HA H 125 4.091 4.091 4.094 -0.003 17850 3290 1 4 . 1 1 125 125 MET C C 125 178.021 178.021 178.211 -0.190 17850 3291 1 4 . 1 1 125 125 MET CA C 125 59.205 59.205 58.074 1.131 17850 3292 1 4 . 1 1 125 125 MET CB C 125 33.281 33.281 31.995 1.286 17850 3293 1 4 . 1 1 125 125 MET H H 125 7.750 7.750 8.506 -0.756 17850 3294 1 4 . 1 1 126 126 LEU N N 126 117.193 117.193 118.181 -0.988 17850 3295 1 4 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.994 -0.070 17850 3296 1 4 . 1 1 126 126 LEU C C 126 180.267 180.267 179.602 0.665 17850 3297 1 4 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.659 0.143 17850 3298 1 4 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.417 0.197 17850 3299 1 4 . 1 1 126 126 LEU H H 126 8.152 8.152 7.626 0.526 17850 3300 1 4 . 1 1 127 127 ARG N N 127 120.792 120.792 117.778 3.014 17850 3301 1 4 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.108 -0.067 17850 3302 1 4 . 1 1 127 127 ARG C C 127 178.027 178.027 177.679 0.348 17850 3303 1 4 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.562 0.719 17850 3304 1 4 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.452 -0.453 17850 3305 1 4 . 1 1 127 127 ARG H H 127 8.335 8.335 7.456 0.879 17850 3306 1 4 . 1 1 128 128 GLU N N 128 117.142 117.142 111.102 6.040 17850 3307 1 4 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.667 -0.561 17850 3308 1 4 . 1 1 128 128 GLU C C 128 178.618 178.618 175.607 3.011 17850 3309 1 4 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.841 3.364 17850 3310 1 4 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.318 0.076 17850 3311 1 4 . 1 1 128 128 GLU H H 128 7.667 7.667 8.294 -0.627 17850 3312 1 4 . 1 1 129 129 VAL N N 129 108.345 108.345 117.996 -9.651 17850 3313 1 4 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.201 0.286 17850 3314 1 4 . 1 1 129 129 VAL C C 129 175.591 175.591 176.631 -1.040 17850 3315 1 4 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.341 -0.678 17850 3316 1 4 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.458 -0.449 17850 3317 1 4 . 1 1 129 129 VAL H H 129 7.470 7.470 7.927 -0.457 17850 3318 1 4 . 1 1 130 130 SER N N 130 115.012 115.012 118.525 -3.513 17850 3319 1 4 . 1 1 130 130 SER HA H 130 4.670 4.670 4.134 0.536 17850 3320 1 4 . 1 1 130 130 SER C C 130 174.414 174.414 174.343 0.071 17850 3321 1 4 . 1 1 130 130 SER CA C 130 58.067 58.067 59.518 -1.451 17850 3322 1 4 . 1 1 130 130 SER CB C 130 65.814 65.814 61.819 3.995 17850 3323 1 4 . 1 1 130 130 SER H H 130 7.858 7.858 7.788 0.070 17850 3324 1 4 . 1 1 131 131 ASP N N 131 120.972 120.972 115.571 5.401 17850 3325 1 4 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.244 0.322 17850 3326 1 4 . 1 1 131 131 ASP C C 131 176.676 176.676 175.585 1.091 17850 3327 1 4 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.964 -0.181 17850 3328 1 4 . 1 1 131 131 ASP H H 131 8.478 8.478 8.350 0.128 17850 3329 1 4 . 1 1 132 132 GLY N N 132 105.512 105.512 107.958 -2.446 17850 3330 1 4 . 1 1 132 132 GLY C C 132 174.924 174.924 175.626 -0.702 17850 3331 1 4 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.092 -0.422 17850 3332 1 4 . 1 1 132 132 GLY H H 132 8.352 8.352 7.969 0.383 17850 3333 1 4 . 1 1 133 133 SER N N 133 116.718 116.718 114.208 2.510 17850 3334 1 4 . 1 1 133 133 SER HA H 133 4.435 4.435 4.373 0.062 17850 3335 1 4 . 1 1 133 133 SER C C 133 175.404 175.404 172.750 2.654 17850 3336 1 4 . 1 1 133 133 SER CA C 133 59.340 59.340 58.071 1.269 17850 3337 1 4 . 1 1 133 133 SER H H 133 8.104 8.104 8.471 -0.367 17850 3338 1 4 . 1 1 134 134 GLY N N 134 109.601 109.601 107.647 1.954 17850 3339 1 4 . 1 1 134 134 GLY C C 134 172.547 172.547 172.713 -0.166 17850 3340 1 4 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.211 2.612 17850 3341 1 4 . 1 1 134 134 GLY H H 134 8.555 8.555 7.791 0.764 17850 3342 1 4 . 1 1 135 135 GLU N N 135 117.166 117.166 115.713 1.453 17850 3343 1 4 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.904 0.123 17850 3344 1 4 . 1 1 135 135 GLU C C 135 175.280 175.280 174.687 0.593 17850 3345 1 4 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.905 -0.170 17850 3346 1 4 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.163 0.711 17850 3347 1 4 . 1 1 135 135 GLU H H 135 7.641 7.641 8.223 -0.582 17850 3348 1 4 . 1 1 136 136 ILE N N 136 114.256 114.256 126.135 -11.879 17850 3349 1 4 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.949 0.127 17850 3350 1 4 . 1 1 136 136 ILE C C 136 175.228 175.228 177.194 -1.966 17850 3351 1 4 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.498 -0.100 17850 3352 1 4 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.398 2.254 17850 3353 1 4 . 1 1 136 136 ILE H H 136 8.565 8.565 8.362 0.203 17850 3354 1 4 . 1 1 137 137 ASN N N 137 121.842 121.842 118.689 3.153 17850 3355 1 4 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.888 1.377 17850 3356 1 4 . 1 1 137 137 ASN C C 137 176.835 176.835 176.483 0.352 17850 3357 1 4 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.951 -3.924 17850 3358 1 4 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.672 2.041 17850 3359 1 4 . 1 1 137 137 ASN H H 137 8.767 8.767 8.650 0.117 17850 3360 1 4 . 1 1 138 138 ILE N N 138 118.075 118.075 118.545 -0.470 17850 3361 1 4 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.853 -0.101 17850 3362 1 4 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.401 0.371 17850 3363 1 4 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.808 0.745 17850 3364 1 4 . 1 1 138 138 ILE H H 138 8.418 8.418 8.438 -0.020 17850 3365 1 4 . 1 1 139 139 GLN N N 139 122.926 122.926 119.641 3.285 17850 3366 1 4 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.058 0.068 17850 3367 1 4 . 1 1 139 139 GLN C C 139 179.886 179.886 178.858 1.028 17850 3368 1 4 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.782 0.804 17850 3369 1 4 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.499 -0.714 17850 3370 1 4 . 1 1 139 139 GLN H H 139 7.632 7.632 8.010 -0.378 17850 3371 1 4 . 1 1 140 140 GLN N N 140 121.813 121.813 120.657 1.156 17850 3372 1 4 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.808 0.353 17850 3373 1 4 . 1 1 140 140 GLN C C 140 178.284 178.284 177.053 1.231 17850 3374 1 4 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.370 -0.154 17850 3375 1 4 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.299 0.139 17850 3376 1 4 . 1 1 140 140 GLN H H 140 8.416 8.416 8.857 -0.441 17850 3377 1 4 . 1 1 141 141 PHE N N 141 121.732 121.732 117.814 3.918 17850 3378 1 4 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.661 0.491 17850 3379 1 4 . 1 1 141 141 PHE C C 141 176.273 176.273 177.145 -0.872 17850 3380 1 4 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.380 0.580 17850 3381 1 4 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.758 2.303 17850 3382 1 4 . 1 1 141 141 PHE H H 141 9.030 9.030 7.797 1.233 17850 3383 1 4 . 1 1 142 142 ALA N N 142 119.852 119.852 121.309 -1.457 17850 3384 1 4 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.925 -0.122 17850 3385 1 4 . 1 1 142 142 ALA C C 142 180.733 180.733 180.203 0.530 17850 3386 1 4 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.641 0.569 17850 3387 1 4 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.082 -0.180 17850 3388 1 4 . 1 1 142 142 ALA H H 142 8.399 8.399 8.015 0.384 17850 3389 1 4 . 1 1 143 143 ALA N N 143 120.555 120.555 120.658 -0.103 17850 3390 1 4 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.952 0.162 17850 3391 1 4 . 1 1 143 143 ALA C C 143 180.455 180.455 179.623 0.832 17850 3392 1 4 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.085 -0.072 17850 3393 1 4 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.029 -1.180 17850 3394 1 4 . 1 1 143 143 ALA H H 143 7.627 7.627 7.485 0.142 17850 3395 1 4 . 1 1 144 144 LEU N N 144 121.054 121.054 112.857 8.197 17850 3396 1 4 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.095 -0.162 17850 3397 1 4 . 1 1 144 144 LEU C C 144 177.756 177.756 176.824 0.932 17850 3398 1 4 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.782 1.915 17850 3399 1 4 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.418 0.420 17850 3400 1 4 . 1 1 144 144 LEU H H 144 8.029 8.029 7.072 0.957 17850 3401 1 4 . 1 1 145 145 LEU N N 145 115.288 115.288 117.319 -2.031 17850 3402 1 4 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.452 -0.479 17850 3403 1 4 . 1 1 145 145 LEU C C 145 177.284 177.284 176.439 0.845 17850 3404 1 4 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.415 0.869 17850 3405 1 4 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.372 -0.762 17850 3406 1 4 . 1 1 145 145 LEU H H 145 7.309 7.309 7.805 -0.496 17850 3407 1 4 . 1 1 146 146 SER N N 146 114.503 114.503 118.286 -3.783 17850 3408 1 4 . 1 1 146 146 SER HA H 146 4.346 4.346 4.452 -0.106 17850 3409 1 4 . 1 1 146 146 SER C C 146 175.125 175.125 175.394 -0.269 17850 3410 1 4 . 1 1 146 146 SER CA C 146 59.046 59.046 58.494 0.552 17850 3411 1 4 . 1 1 146 146 SER CB C 146 64.181 64.181 63.622 0.559 17850 3412 1 4 . 1 1 146 146 SER H H 146 7.506 7.506 7.500 0.006 17850 3413 1 4 . 1 1 147 147 LYS N N 147 123.315 123.315 121.197 2.118 17850 3414 1 4 . 1 1 147 147 LYS HA H 147 4.167 4.167 3.990 0.177 17850 3415 1 4 . 1 1 147 147 LYS CA C 147 57.682 57.682 57.007 0.675 17850 3416 1 4 . 1 1 147 147 LYS H H 147 8.329 8.329 8.480 -0.151 17850 3417 1 4 . 1 1 148 148 GLY N N 148 108.566 108.566 107.971 0.595 17850 3418 1 4 . 1 1 148 148 GLY C C 148 174.394 174.394 174.511 -0.117 17850 3419 1 4 . 1 1 148 148 GLY CA C 148 45.528 45.528 44.081 1.447 17850 3420 1 4 . 1 1 148 148 GLY H H 148 8.353 8.353 7.724 0.629 17850 3421 1 4 . 1 1 149 149 SER N N 149 115.356 115.356 121.838 -6.482 17850 3422 1 4 . 1 1 149 149 SER HA H 149 4.484 4.484 4.243 0.241 17850 3423 1 4 . 1 1 149 149 SER C C 149 175.038 175.038 174.456 0.582 17850 3424 1 4 . 1 1 149 149 SER CA C 149 58.418 58.418 59.516 -1.097 17850 3425 1 4 . 1 1 149 149 SER CB C 149 64.171 64.171 62.750 1.421 17850 3426 1 4 . 1 1 149 149 SER H H 149 7.993 7.993 8.878 -0.885 17850 3427 1 4 . 1 1 150 150 SER N N 150 118.028 118.028 113.457 4.571 17850 3428 1 4 . 1 1 150 150 SER HA H 150 4.490 4.490 4.481 0.009 17850 3429 1 4 . 1 1 150 150 SER C C 150 175.034 175.034 174.521 0.513 17850 3430 1 4 . 1 1 150 150 SER CA C 150 59.029 59.029 58.005 1.024 17850 3431 1 4 . 1 1 150 150 SER CB C 150 63.407 63.407 65.258 -1.851 17850 3432 1 4 . 1 1 150 150 SER H H 150 8.530 8.530 8.099 0.431 17850 3433 1 5 . 1 1 1 1 GLY N N 1 109.911 109.911 109.755 0.156 17850 3434 1 5 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.451 0.985 17850 3435 1 5 . 1 1 1 1 GLY H H 1 8.410 8.410 7.857 0.553 17850 3436 1 5 . 1 1 2 2 SER N N 2 115.579 115.579 116.370 -0.791 17850 3437 1 5 . 1 1 2 2 SER HA H 2 4.474 4.474 4.164 0.310 17850 3438 1 5 . 1 1 2 2 SER C C 2 174.661 174.661 174.041 0.620 17850 3439 1 5 . 1 1 2 2 SER CA C 2 58.374 58.374 58.830 -0.455 17850 3440 1 5 . 1 1 2 2 SER CB C 2 63.986 63.986 62.471 1.514 17850 3441 1 5 . 1 1 2 2 SER H H 2 8.207 8.207 8.322 -0.115 17850 3442 1 5 . 1 1 3 3 SER N N 3 117.154 117.154 116.837 0.317 17850 3443 1 5 . 1 1 3 3 SER HA H 3 4.439 4.439 4.454 -0.015 17850 3444 1 5 . 1 1 3 3 SER C C 3 174.122 174.122 173.542 0.580 17850 3445 1 5 . 1 1 3 3 SER CA C 3 58.695 58.695 57.989 0.706 17850 3446 1 5 . 1 1 3 3 SER CB C 3 63.865 63.865 62.238 1.627 17850 3447 1 5 . 1 1 3 3 SER H H 3 8.337 8.337 8.343 -0.006 17850 3448 1 5 . 1 1 4 4 ASN N N 4 120.145 120.145 118.458 1.687 17850 3449 1 5 . 1 1 4 4 ASN HA H 4 4.726 4.726 4.788 -0.062 17850 3450 1 5 . 1 1 4 4 ASN C C 4 174.741 174.741 175.493 -0.752 17850 3451 1 5 . 1 1 4 4 ASN CA C 4 53.326 53.326 53.416 -0.090 17850 3452 1 5 . 1 1 4 4 ASN CB C 4 38.802 38.802 38.968 -0.166 17850 3453 1 5 . 1 1 4 4 ASN H H 4 8.432 8.432 7.635 0.797 17850 3454 1 5 . 1 1 5 5 LEU N N 5 121.341 121.341 116.715 4.626 17850 3455 1 5 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.584 0.095 17850 3456 1 5 . 1 1 5 5 LEU C C 5 177.641 177.641 177.528 0.113 17850 3457 1 5 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.565 1.901 17850 3458 1 5 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.599 -0.886 17850 3459 1 5 . 1 1 5 5 LEU H H 5 7.966 7.966 7.749 0.217 17850 3460 1 5 . 1 1 6 6 THR N N 6 113.168 113.168 116.451 -3.283 17850 3461 1 5 . 1 1 6 6 THR HA H 6 4.470 4.470 3.907 0.563 17850 3462 1 5 . 1 1 6 6 THR C C 6 175.390 175.390 176.469 -1.079 17850 3463 1 5 . 1 1 6 6 THR CA C 6 60.543 60.543 65.566 -5.023 17850 3464 1 5 . 1 1 6 6 THR CB C 6 71.190 71.190 68.324 2.866 17850 3465 1 5 . 1 1 6 6 THR H H 6 8.716 8.716 8.837 -0.121 17850 3466 1 5 . 1 1 7 7 GLU N N 7 120.480 120.480 120.017 0.463 17850 3467 1 5 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.081 -0.096 17850 3468 1 5 . 1 1 7 7 GLU C C 7 179.475 179.475 179.563 -0.088 17850 3469 1 5 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.920 1.153 17850 3470 1 5 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.348 -0.055 17850 3471 1 5 . 1 1 7 7 GLU H H 7 8.997 8.997 7.832 1.165 17850 3472 1 5 . 1 1 8 8 GLU N N 8 119.766 119.766 119.147 0.619 17850 3473 1 5 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.254 -0.167 17850 3474 1 5 . 1 1 8 8 GLU C C 8 178.641 178.641 179.162 -0.521 17850 3475 1 5 . 1 1 8 8 GLU CA C 8 59.835 59.835 59.286 0.549 17850 3476 1 5 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.378 0.020 17850 3477 1 5 . 1 1 8 8 GLU H H 8 8.603 8.603 7.664 0.939 17850 3478 1 5 . 1 1 9 9 GLN N N 9 119.234 119.234 116.743 2.491 17850 3479 1 5 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.431 -0.502 17850 3480 1 5 . 1 1 9 9 GLN C C 9 178.969 178.969 178.165 0.804 17850 3481 1 5 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.233 2.485 17850 3482 1 5 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.885 2.697 17850 3483 1 5 . 1 1 9 9 GLN H H 9 7.730 7.730 8.036 -0.306 17850 3484 1 5 . 1 1 10 10 ILE N N 10 119.661 119.661 118.469 1.192 17850 3485 1 5 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.056 -0.293 17850 3486 1 5 . 1 1 10 10 ILE C C 10 178.040 178.040 176.934 1.106 17850 3487 1 5 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.550 2.671 17850 3488 1 5 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.291 0.661 17850 3489 1 5 . 1 1 10 10 ILE H H 10 8.398 8.398 8.018 0.380 17850 3490 1 5 . 1 1 11 11 ALA N N 11 121.678 121.678 121.891 -0.213 17850 3491 1 5 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.020 0.113 17850 3492 1 5 . 1 1 11 11 ALA C C 11 181.140 181.140 180.040 1.100 17850 3493 1 5 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.348 1.106 17850 3494 1 5 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.716 -0.804 17850 3495 1 5 . 1 1 11 11 ALA H H 11 8.037 8.037 7.053 0.984 17850 3496 1 5 . 1 1 12 12 GLU N N 12 118.175 118.175 117.947 0.228 17850 3497 1 5 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.323 -0.205 17850 3498 1 5 . 1 1 12 12 GLU C C 12 180.185 180.185 178.590 1.595 17850 3499 1 5 . 1 1 12 12 GLU CA C 12 59.195 59.195 58.940 0.256 17850 3500 1 5 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.715 0.664 17850 3501 1 5 . 1 1 12 12 GLU H H 12 7.869 7.869 7.435 0.434 17850 3502 1 5 . 1 1 13 13 PHE N N 13 119.011 119.011 119.060 -0.049 17850 3503 1 5 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.157 0.733 17850 3504 1 5 . 1 1 13 13 PHE C C 13 178.486 178.486 178.141 0.345 17850 3505 1 5 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.079 -0.630 17850 3506 1 5 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.263 0.636 17850 3507 1 5 . 1 1 13 13 PHE H H 13 8.429 8.429 7.865 0.564 17850 3508 1 5 . 1 1 14 14 LYS N N 14 123.459 123.459 119.516 3.943 17850 3509 1 5 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.222 -0.190 17850 3510 1 5 . 1 1 14 14 LYS C C 14 179.131 179.131 178.957 0.174 17850 3511 1 5 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.783 1.706 17850 3512 1 5 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.424 -0.511 17850 3513 1 5 . 1 1 14 14 LYS H H 14 8.925 8.925 8.199 0.726 17850 3514 1 5 . 1 1 15 15 GLU N N 15 119.581 119.581 119.618 -0.037 17850 3515 1 5 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.256 -0.088 17850 3516 1 5 . 1 1 15 15 GLU C C 15 179.163 179.163 177.991 1.172 17850 3517 1 5 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.153 0.232 17850 3518 1 5 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.240 0.147 17850 3519 1 5 . 1 1 15 15 GLU H H 15 8.064 8.064 8.243 -0.179 17850 3520 1 5 . 1 1 16 16 ALA N N 16 120.993 120.993 121.223 -0.230 17850 3521 1 5 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.328 0.914 17850 3522 1 5 . 1 1 16 16 ALA C C 16 177.628 177.628 178.399 -0.771 17850 3523 1 5 . 1 1 16 16 ALA CA C 16 55.185 55.185 53.200 1.985 17850 3524 1 5 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.262 -1.338 17850 3525 1 5 . 1 1 16 16 ALA H H 16 7.801 7.801 7.759 0.042 17850 3526 1 5 . 1 1 17 17 PHE N N 17 118.745 118.745 120.167 -1.422 17850 3527 1 5 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.296 -0.942 17850 3528 1 5 . 1 1 17 17 PHE C C 17 177.500 177.500 177.431 0.069 17850 3529 1 5 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.376 1.324 17850 3530 1 5 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.017 1.961 17850 3531 1 5 . 1 1 17 17 PHE H H 17 8.469 8.469 8.147 0.322 17850 3532 1 5 . 1 1 18 18 ALA N N 18 119.942 119.942 117.949 1.993 17850 3533 1 5 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.696 0.314 17850 3534 1 5 . 1 1 18 18 ALA C C 18 178.535 178.535 178.387 0.148 17850 3535 1 5 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.203 0.213 17850 3536 1 5 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.238 0.249 17850 3537 1 5 . 1 1 18 18 ALA H H 18 8.187 8.187 7.104 1.083 17850 3538 1 5 . 1 1 19 19 LEU N N 19 116.851 116.851 113.525 3.326 17850 3539 1 5 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.399 -0.439 17850 3540 1 5 . 1 1 19 19 LEU C C 19 176.795 176.795 177.392 -0.597 17850 3541 1 5 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.516 2.919 17850 3542 1 5 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.025 -1.343 17850 3543 1 5 . 1 1 19 19 LEU H H 19 7.254 7.254 7.152 0.102 17850 3544 1 5 . 1 1 20 20 PHE N N 20 111.977 111.977 121.277 -9.300 17850 3545 1 5 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.192 0.067 17850 3546 1 5 . 1 1 20 20 PHE C C 20 177.033 177.033 176.635 0.398 17850 3547 1 5 . 1 1 20 20 PHE CA C 20 58.656 58.656 58.811 -0.155 17850 3548 1 5 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.410 4.754 17850 3549 1 5 . 1 1 20 20 PHE H H 20 7.041 7.041 7.980 -0.939 17850 3550 1 5 . 1 1 21 21 ASP N N 21 116.981 116.981 124.270 -7.289 17850 3551 1 5 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.372 0.213 17850 3552 1 5 . 1 1 21 21 ASP C C 21 177.297 177.297 177.407 -0.110 17850 3553 1 5 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.084 -3.413 17850 3554 1 5 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.276 -1.274 17850 3555 1 5 . 1 1 21 21 ASP H H 21 7.567 7.567 8.549 -0.982 17850 3556 1 5 . 1 1 22 22 LYS N N 22 124.748 124.748 116.328 8.420 17850 3557 1 5 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.164 -0.172 17850 3558 1 5 . 1 1 22 22 LYS C C 22 177.866 177.866 176.235 1.631 17850 3559 1 5 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.553 1.680 17850 3560 1 5 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.388 0.239 17850 3561 1 5 . 1 1 22 22 LYS H H 22 7.820 7.820 8.064 -0.244 17850 3562 1 5 . 1 1 23 23 ASP N N 23 114.211 114.211 117.072 -2.861 17850 3563 1 5 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.466 0.137 17850 3564 1 5 . 1 1 23 23 ASP C C 23 176.266 176.266 175.444 0.822 17850 3565 1 5 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.571 -1.924 17850 3566 1 5 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.155 0.128 17850 3567 1 5 . 1 1 23 23 ASP H H 23 8.025 8.025 8.515 -0.490 17850 3568 1 5 . 1 1 24 24 ASN N N 24 115.587 115.587 117.047 -1.460 17850 3569 1 5 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.734 -0.345 17850 3570 1 5 . 1 1 24 24 ASN C C 24 174.828 174.828 176.421 -1.593 17850 3571 1 5 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.821 1.686 17850 3572 1 5 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.912 -0.881 17850 3573 1 5 . 1 1 24 24 ASN H H 24 7.962 7.962 8.342 -0.380 17850 3574 1 5 . 1 1 25 25 ASN N N 25 117.385 117.385 117.334 0.051 17850 3575 1 5 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.607 0.241 17850 3576 1 5 . 1 1 25 25 ASN C C 25 177.553 177.553 174.226 3.327 17850 3577 1 5 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.054 -0.739 17850 3578 1 5 . 1 1 25 25 ASN H H 25 8.489 8.489 8.046 0.443 17850 3579 1 5 . 1 1 26 26 GLY N N 26 113.934 113.934 107.376 6.558 17850 3580 1 5 . 1 1 26 26 GLY C C 26 173.371 173.371 173.727 -0.356 17850 3581 1 5 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.364 0.174 17850 3582 1 5 . 1 1 26 26 GLY H H 26 10.580 10.580 8.397 2.183 17850 3583 1 5 . 1 1 27 27 SER N N 27 113.842 113.842 122.063 -8.221 17850 3584 1 5 . 1 1 27 27 SER HA H 27 5.358 5.358 4.472 0.886 17850 3585 1 5 . 1 1 27 27 SER C C 27 172.645 172.645 173.588 -0.943 17850 3586 1 5 . 1 1 27 27 SER CA C 27 57.474 57.474 57.522 -0.048 17850 3587 1 5 . 1 1 27 27 SER CB C 27 66.576 66.576 62.469 4.107 17850 3588 1 5 . 1 1 27 27 SER H H 27 7.793 7.793 8.950 -1.157 17850 3589 1 5 . 1 1 28 28 ILE N N 28 127.597 127.597 127.342 0.255 17850 3590 1 5 . 1 1 28 28 ILE HA H 28 4.825 4.825 3.999 0.826 17850 3591 1 5 . 1 1 28 28 ILE C C 28 175.890 175.890 177.464 -1.574 17850 3592 1 5 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.442 -0.266 17850 3593 1 5 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.687 -0.593 17850 3594 1 5 . 1 1 28 28 ILE H H 28 9.787 9.787 8.011 1.776 17850 3595 1 5 . 1 1 29 29 SER N N 29 124.860 124.860 117.383 7.477 17850 3596 1 5 . 1 1 29 29 SER HA H 29 4.813 4.813 4.128 0.685 17850 3597 1 5 . 1 1 29 29 SER C C 29 175.477 175.477 176.452 -0.975 17850 3598 1 5 . 1 1 29 29 SER CA C 29 56.583 56.583 60.899 -4.316 17850 3599 1 5 . 1 1 29 29 SER CB C 29 66.269 66.269 62.419 3.850 17850 3600 1 5 . 1 1 29 29 SER H H 29 9.320 9.320 8.600 0.720 17850 3601 1 5 . 1 1 30 30 SER N N 30 117.383 117.383 117.000 0.383 17850 3602 1 5 . 1 1 30 30 SER HA H 30 4.141 4.141 4.490 -0.349 17850 3603 1 5 . 1 1 30 30 SER C C 30 176.531 176.531 175.075 1.456 17850 3604 1 5 . 1 1 30 30 SER CA C 30 62.690 62.690 60.056 2.634 17850 3605 1 5 . 1 1 30 30 SER CB C 30 62.264 62.264 63.433 -1.169 17850 3606 1 5 . 1 1 30 30 SER H H 30 9.554 9.554 7.950 1.604 17850 3607 1 5 . 1 1 31 31 SER N N 31 116.232 116.232 115.463 0.769 17850 3608 1 5 . 1 1 31 31 SER HA H 31 4.309 4.309 4.392 -0.083 17850 3609 1 5 . 1 1 31 31 SER C C 31 178.017 178.017 176.169 1.848 17850 3610 1 5 . 1 1 31 31 SER CA C 31 61.332 61.332 59.616 1.716 17850 3611 1 5 . 1 1 31 31 SER CB C 31 62.512 62.512 63.825 -1.313 17850 3612 1 5 . 1 1 31 31 SER H H 31 8.141 8.141 7.802 0.339 17850 3613 1 5 . 1 1 32 32 GLU N N 32 125.663 125.663 119.558 6.105 17850 3614 1 5 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.964 0.089 17850 3615 1 5 . 1 1 32 32 GLU C C 32 179.222 179.222 177.237 1.985 17850 3616 1 5 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.511 0.188 17850 3617 1 5 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.621 -0.369 17850 3618 1 5 . 1 1 32 32 GLU H H 32 7.947 7.947 8.665 -0.718 17850 3619 1 5 . 1 1 33 33 LEU N N 33 120.624 120.624 118.176 2.448 17850 3620 1 5 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.064 0.104 17850 3621 1 5 . 1 1 33 33 LEU C C 33 178.493 178.493 178.976 -0.483 17850 3622 1 5 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.333 1.574 17850 3623 1 5 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.165 1.152 17850 3624 1 5 . 1 1 33 33 LEU H H 33 8.424 8.424 7.604 0.820 17850 3625 1 5 . 1 1 34 34 ALA N N 34 119.635 119.635 120.853 -1.218 17850 3626 1 5 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.080 -0.256 17850 3627 1 5 . 1 1 34 34 ALA C C 34 179.360 179.360 178.497 0.863 17850 3628 1 5 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.995 -0.399 17850 3629 1 5 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.748 -0.071 17850 3630 1 5 . 1 1 34 34 ALA H H 34 8.410 8.410 8.093 0.317 17850 3631 1 5 . 1 1 35 35 THR N N 35 114.602 114.602 116.818 -2.216 17850 3632 1 5 . 1 1 35 35 THR HA H 35 3.886 3.886 4.102 -0.216 17850 3633 1 5 . 1 1 35 35 THR C C 35 177.278 177.278 176.004 1.274 17850 3634 1 5 . 1 1 35 35 THR CA C 35 67.317 67.317 65.112 2.205 17850 3635 1 5 . 1 1 35 35 THR CB C 35 68.774 68.774 69.424 -0.650 17850 3636 1 5 . 1 1 35 35 THR H H 35 8.263 8.263 7.831 0.432 17850 3637 1 5 . 1 1 36 36 VAL N N 36 122.295 122.295 118.795 3.500 17850 3638 1 5 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.537 0.068 17850 3639 1 5 . 1 1 36 36 VAL C C 36 178.653 178.653 178.018 0.635 17850 3640 1 5 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.993 -0.255 17850 3641 1 5 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.273 0.029 17850 3642 1 5 . 1 1 36 36 VAL H H 36 7.790 7.790 7.689 0.101 17850 3643 1 5 . 1 1 37 37 MET N N 37 117.677 117.677 117.279 0.398 17850 3644 1 5 . 1 1 37 37 MET HA H 37 3.642 3.642 4.356 -0.714 17850 3645 1 5 . 1 1 37 37 MET C C 37 178.172 178.172 179.233 -1.061 17850 3646 1 5 . 1 1 37 37 MET CA C 37 60.506 60.506 58.206 2.300 17850 3647 1 5 . 1 1 37 37 MET CB C 37 32.347 32.347 31.738 0.609 17850 3648 1 5 . 1 1 37 37 MET H H 37 8.081 8.081 8.084 -0.003 17850 3649 1 5 . 1 1 38 38 ARG N N 38 118.309 118.309 121.261 -2.952 17850 3650 1 5 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.073 0.615 17850 3651 1 5 . 1 1 38 38 ARG C C 38 181.486 181.486 177.707 3.779 17850 3652 1 5 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.751 0.351 17850 3653 1 5 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.610 0.402 17850 3654 1 5 . 1 1 38 38 ARG H H 38 8.547 8.547 7.757 0.790 17850 3655 1 5 . 1 1 39 39 SER N N 39 119.250 119.250 111.458 7.792 17850 3656 1 5 . 1 1 39 39 SER HA H 39 4.301 4.301 4.158 0.143 17850 3657 1 5 . 1 1 39 39 SER C C 39 174.899 174.899 174.971 -0.072 17850 3658 1 5 . 1 1 39 39 SER CA C 39 61.925 61.925 59.148 2.777 17850 3659 1 5 . 1 1 39 39 SER CB C 39 62.773 62.773 63.075 -0.302 17850 3660 1 5 . 1 1 39 39 SER H H 39 8.226 8.226 7.820 0.406 17850 3661 1 5 . 1 1 40 40 LEU N N 40 119.516 119.516 116.555 2.961 17850 3662 1 5 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.077 0.193 17850 3663 1 5 . 1 1 40 40 LEU C C 40 176.681 176.681 176.775 -0.094 17850 3664 1 5 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.269 0.314 17850 3665 1 5 . 1 1 40 40 LEU H H 40 7.343 7.343 7.576 -0.233 17850 3666 1 5 . 1 1 41 41 GLY N N 41 105.983 105.983 109.038 -3.055 17850 3667 1 5 . 1 1 41 41 GLY C C 41 174.471 174.471 174.987 -0.516 17850 3668 1 5 . 1 1 41 41 GLY CA C 41 45.239 45.239 45.094 0.145 17850 3669 1 5 . 1 1 41 41 GLY H H 41 7.858 7.858 8.317 -0.459 17850 3670 1 5 . 1 1 42 42 LEU N N 42 120.442 120.442 116.906 3.536 17850 3671 1 5 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.544 -0.073 17850 3672 1 5 . 1 1 42 42 LEU C C 42 175.965 175.965 174.569 1.396 17850 3673 1 5 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.010 1.235 17850 3674 1 5 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.123 0.408 17850 3675 1 5 . 1 1 42 42 LEU H H 42 7.707 7.707 8.335 -0.628 17850 3676 1 5 . 1 1 43 43 SER HA H 43 4.798 4.798 4.592 0.206 17850 3677 1 5 . 1 1 43 43 SER CA C 43 54.912 54.912 57.584 -2.672 17850 3678 1 5 . 1 1 43 43 SER CB C 43 63.197 63.197 62.738 0.459 17850 3679 1 5 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.256 0.536 17850 3680 1 5 . 1 1 44 44 PRO CA C 44 61.881 61.881 63.093 -1.212 17850 3681 1 5 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.034 -0.834 17850 3682 1 5 . 1 1 45 45 SER N N 45 119.898 119.898 121.440 -1.542 17850 3683 1 5 . 1 1 45 45 SER HA H 45 4.611 4.611 4.027 0.584 17850 3684 1 5 . 1 1 45 45 SER C C 45 174.913 174.913 176.529 -1.616 17850 3685 1 5 . 1 1 45 45 SER CA C 45 56.689 56.689 61.815 -5.126 17850 3686 1 5 . 1 1 45 45 SER CB C 45 65.502 65.502 63.441 2.061 17850 3687 1 5 . 1 1 45 45 SER H H 45 9.387 9.387 8.986 0.401 17850 3688 1 5 . 1 1 46 46 GLU N N 46 121.468 121.468 118.342 3.126 17850 3689 1 5 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.195 -0.256 17850 3690 1 5 . 1 1 46 46 GLU C C 46 179.002 179.002 178.933 0.069 17850 3691 1 5 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.298 0.837 17850 3692 1 5 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.735 0.612 17850 3693 1 5 . 1 1 46 46 GLU H H 46 8.913 8.913 8.563 0.350 17850 3694 1 5 . 1 1 47 47 ALA N N 47 121.115 121.115 121.817 -0.702 17850 3695 1 5 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.146 0.006 17850 3696 1 5 . 1 1 47 47 ALA C C 47 179.962 179.962 180.144 -0.182 17850 3697 1 5 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.704 0.414 17850 3698 1 5 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.136 -0.781 17850 3699 1 5 . 1 1 47 47 ALA H H 47 8.324 8.324 7.795 0.529 17850 3700 1 5 . 1 1 48 48 GLU N N 48 118.713 118.713 120.104 -1.391 17850 3701 1 5 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.777 0.327 17850 3702 1 5 . 1 1 48 48 GLU C C 48 179.558 179.558 178.444 1.114 17850 3703 1 5 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.092 -1.874 17850 3704 1 5 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.978 0.926 17850 3705 1 5 . 1 1 48 48 GLU H H 48 7.756 7.756 8.908 -1.152 17850 3706 1 5 . 1 1 49 49 VAL N N 49 119.108 119.108 119.346 -0.238 17850 3707 1 5 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.857 -0.393 17850 3708 1 5 . 1 1 49 49 VAL C C 49 177.505 177.505 178.009 -0.504 17850 3709 1 5 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.106 2.365 17850 3710 1 5 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.265 0.176 17850 3711 1 5 . 1 1 49 49 VAL H H 49 8.129 8.129 7.689 0.440 17850 3712 1 5 . 1 1 50 50 ASN N N 50 117.942 117.942 118.678 -0.736 17850 3713 1 5 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.521 -0.133 17850 3714 1 5 . 1 1 50 50 ASN C C 50 177.275 177.275 176.976 0.299 17850 3715 1 5 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.464 1.317 17850 3716 1 5 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.390 0.007 17850 3717 1 5 . 1 1 50 50 ASN H H 50 8.071 8.071 7.703 0.368 17850 3718 1 5 . 1 1 51 51 ASP N N 51 120.669 120.669 118.280 2.389 17850 3719 1 5 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.644 -0.153 17850 3720 1 5 . 1 1 51 51 ASP C C 51 179.203 179.203 178.267 0.936 17850 3721 1 5 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.164 1.431 17850 3722 1 5 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.040 -0.726 17850 3723 1 5 . 1 1 51 51 ASP H H 51 8.364 8.364 8.239 0.125 17850 3724 1 5 . 1 1 52 52 LEU N N 52 122.409 122.409 117.931 4.478 17850 3725 1 5 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.176 -0.106 17850 3726 1 5 . 1 1 52 52 LEU C C 52 179.017 179.017 177.652 1.365 17850 3727 1 5 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.783 0.674 17850 3728 1 5 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.728 0.353 17850 3729 1 5 . 1 1 52 52 LEU H H 52 8.018 8.018 8.575 -0.557 17850 3730 1 5 . 1 1 53 53 MET N N 53 117.391 117.391 118.527 -1.136 17850 3731 1 5 . 1 1 53 53 MET HA H 53 4.112 4.112 4.452 -0.340 17850 3732 1 5 . 1 1 53 53 MET CA C 53 57.472 57.472 57.418 0.054 17850 3733 1 5 . 1 1 53 53 MET CB C 53 30.021 30.021 33.008 -2.987 17850 3734 1 5 . 1 1 53 53 MET H H 53 8.562 8.562 8.492 0.070 17850 3735 1 5 . 1 1 54 54 ASN N N 54 115.554 115.554 116.185 -0.631 17850 3736 1 5 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.701 -0.143 17850 3737 1 5 . 1 1 54 54 ASN C C 54 176.801 176.801 175.510 1.291 17850 3738 1 5 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.737 1.560 17850 3739 1 5 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.969 -0.812 17850 3740 1 5 . 1 1 54 54 ASN H H 54 8.204 8.204 7.685 0.519 17850 3741 1 5 . 1 1 55 55 GLU N N 55 117.659 117.659 114.673 2.986 17850 3742 1 5 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.426 -0.224 17850 3743 1 5 . 1 1 55 55 GLU C C 55 177.093 177.093 176.845 0.248 17850 3744 1 5 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.501 2.326 17850 3745 1 5 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.581 -0.560 17850 3746 1 5 . 1 1 55 55 GLU H H 55 7.617 7.617 7.311 0.306 17850 3747 1 5 . 1 1 56 56 ILE N N 56 117.618 117.618 123.084 -5.466 17850 3748 1 5 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.224 -0.340 17850 3749 1 5 . 1 1 56 56 ILE C C 56 176.029 176.029 176.943 -0.914 17850 3750 1 5 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.108 -0.294 17850 3751 1 5 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.318 1.610 17850 3752 1 5 . 1 1 56 56 ILE H H 56 7.472 7.472 7.826 -0.354 17850 3753 1 5 . 1 1 57 57 ASP N N 57 118.636 118.636 127.170 -8.534 17850 3754 1 5 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.597 -0.185 17850 3755 1 5 . 1 1 57 57 ASP C C 57 175.691 175.691 176.688 -0.997 17850 3756 1 5 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.437 -0.904 17850 3757 1 5 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.859 -0.614 17850 3758 1 5 . 1 1 57 57 ASP H H 57 8.304 8.304 8.282 0.022 17850 3759 1 5 . 1 1 58 58 VAL N N 58 126.376 126.376 118.215 8.161 17850 3760 1 5 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.113 -0.119 17850 3761 1 5 . 1 1 58 58 VAL C C 58 177.258 177.258 176.744 0.514 17850 3762 1 5 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.945 2.389 17850 3763 1 5 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.593 1.714 17850 3764 1 5 . 1 1 58 58 VAL H H 58 7.926 7.926 7.720 0.206 17850 3765 1 5 . 1 1 59 59 ASP N N 59 117.093 117.093 119.385 -2.292 17850 3766 1 5 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.281 0.276 17850 3767 1 5 . 1 1 59 59 ASP C C 59 177.759 177.759 176.940 0.819 17850 3768 1 5 . 1 1 59 59 ASP CA C 59 53.876 53.876 55.037 -1.161 17850 3769 1 5 . 1 1 59 59 ASP H H 59 8.363 8.363 8.296 0.067 17850 3770 1 5 . 1 1 60 60 GLY N N 60 108.290 108.290 108.485 -0.195 17850 3771 1 5 . 1 1 60 60 GLY C C 60 174.700 174.700 175.216 -0.516 17850 3772 1 5 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.875 3.245 17850 3773 1 5 . 1 1 60 60 GLY H H 60 7.636 7.636 8.820 -1.184 17850 3774 1 5 . 1 1 61 61 ASN N N 61 118.884 118.884 116.187 2.697 17850 3775 1 5 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.254 0.275 17850 3776 1 5 . 1 1 61 61 ASN C C 61 175.856 175.856 173.024 2.832 17850 3777 1 5 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.994 -2.634 17850 3778 1 5 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.150 1.027 17850 3779 1 5 . 1 1 61 61 ASN H H 61 8.078 8.078 8.939 -0.861 17850 3780 1 5 . 1 1 62 62 HIS N N 62 117.381 117.381 112.108 5.273 17850 3781 1 5 . 1 1 62 62 HIS HA H 62 3.877 3.877 4.914 -1.037 17850 3782 1 5 . 1 1 62 62 HIS C C 62 172.310 172.310 172.858 -0.548 17850 3783 1 5 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.049 2.324 17850 3784 1 5 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.195 -8.461 17850 3785 1 5 . 1 1 62 62 HIS H H 62 9.958 9.958 8.470 1.488 17850 3786 1 5 . 1 1 63 63 GLN N N 63 112.906 112.906 118.540 -5.634 17850 3787 1 5 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.976 -0.144 17850 3788 1 5 . 1 1 63 63 GLN C C 63 174.861 174.861 175.692 -0.831 17850 3789 1 5 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.286 -0.411 17850 3790 1 5 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.943 1.207 17850 3791 1 5 . 1 1 63 63 GLN H H 63 7.535 7.535 8.586 -1.051 17850 3792 1 5 . 1 1 64 64 ILE N N 64 124.083 124.083 126.418 -2.335 17850 3793 1 5 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.734 0.338 17850 3794 1 5 . 1 1 64 64 ILE C C 64 176.670 176.670 176.461 0.209 17850 3795 1 5 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.308 -0.637 17850 3796 1 5 . 1 1 64 64 ILE CB C 64 39.167 39.167 39.959 -0.792 17850 3797 1 5 . 1 1 64 64 ILE H H 64 9.274 9.274 8.972 0.302 17850 3798 1 5 . 1 1 65 65 GLU N N 65 129.276 129.276 120.070 9.206 17850 3799 1 5 . 1 1 65 65 GLU HA H 65 5.040 5.040 3.111 1.929 17850 3800 1 5 . 1 1 65 65 GLU C C 65 178.156 178.156 177.027 1.129 17850 3801 1 5 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.764 0.084 17850 3802 1 5 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.642 1.538 17850 3803 1 5 . 1 1 65 65 GLU H H 65 8.848 8.848 9.072 -0.224 17850 3804 1 5 . 1 1 66 66 PHE N N 66 124.260 124.260 118.949 5.311 17850 3805 1 5 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.928 -0.238 17850 3806 1 5 . 1 1 66 66 PHE C C 66 177.294 177.294 177.346 -0.052 17850 3807 1 5 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.335 1.685 17850 3808 1 5 . 1 1 66 66 PHE CB C 66 37.954 37.954 39.013 -1.059 17850 3809 1 5 . 1 1 66 66 PHE H H 66 9.353 9.353 8.248 1.105 17850 3810 1 5 . 1 1 67 67 SER N N 67 112.827 112.827 118.708 -5.881 17850 3811 1 5 . 1 1 67 67 SER HA H 67 3.726 3.726 4.092 -0.366 17850 3812 1 5 . 1 1 67 67 SER C C 67 177.352 177.352 176.590 0.762 17850 3813 1 5 . 1 1 67 67 SER CA C 67 61.581 61.581 60.884 0.697 17850 3814 1 5 . 1 1 67 67 SER CB C 67 61.379 61.379 62.901 -1.522 17850 3815 1 5 . 1 1 67 67 SER H H 67 9.035 9.035 7.975 1.060 17850 3816 1 5 . 1 1 68 68 GLU N N 68 123.071 123.071 119.944 3.127 17850 3817 1 5 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.970 0.165 17850 3818 1 5 . 1 1 68 68 GLU C C 68 178.895 178.895 177.839 1.056 17850 3819 1 5 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.030 -2.052 17850 3820 1 5 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.138 -0.861 17850 3821 1 5 . 1 1 68 68 GLU H H 68 6.829 6.829 8.423 -1.594 17850 3822 1 5 . 1 1 69 69 PHE N N 69 123.805 123.805 116.578 7.227 17850 3823 1 5 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.952 -0.053 17850 3824 1 5 . 1 1 69 69 PHE C C 69 176.325 176.325 176.719 -0.394 17850 3825 1 5 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.320 1.106 17850 3826 1 5 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.788 2.640 17850 3827 1 5 . 1 1 69 69 PHE H H 69 8.245 8.245 7.420 0.825 17850 3828 1 5 . 1 1 70 70 LEU N N 70 119.210 119.210 118.475 0.735 17850 3829 1 5 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.091 -0.855 17850 3830 1 5 . 1 1 70 70 LEU C C 70 179.131 179.131 178.363 0.768 17850 3831 1 5 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.297 1.180 17850 3832 1 5 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.441 -0.113 17850 3833 1 5 . 1 1 70 70 LEU H H 70 8.788 8.788 7.721 1.067 17850 3834 1 5 . 1 1 71 71 ALA N N 71 121.612 121.612 121.252 0.360 17850 3835 1 5 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.957 -0.048 17850 3836 1 5 . 1 1 71 71 ALA C C 71 179.804 179.804 179.417 0.387 17850 3837 1 5 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.941 0.174 17850 3838 1 5 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.005 -1.243 17850 3839 1 5 . 1 1 71 71 ALA H H 71 7.365 7.365 7.100 0.265 17850 3840 1 5 . 1 1 72 72 LEU N N 72 118.944 118.944 119.557 -0.613 17850 3841 1 5 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.893 0.071 17850 3842 1 5 . 1 1 72 72 LEU C C 72 178.415 178.415 178.827 -0.412 17850 3843 1 5 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.787 0.030 17850 3844 1 5 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.378 0.090 17850 3845 1 5 . 1 1 72 72 LEU H H 72 7.142 7.142 7.502 -0.360 17850 3846 1 5 . 1 1 73 73 MET N N 73 114.500 114.500 115.086 -0.586 17850 3847 1 5 . 1 1 73 73 MET HA H 73 3.978 3.978 4.292 -0.314 17850 3848 1 5 . 1 1 73 73 MET C C 73 178.283 178.283 176.410 1.873 17850 3849 1 5 . 1 1 73 73 MET CA C 73 55.701 55.701 56.591 -0.890 17850 3850 1 5 . 1 1 73 73 MET CB C 73 30.742 30.742 32.198 -1.456 17850 3851 1 5 . 1 1 73 73 MET H H 73 7.726 7.726 7.705 0.021 17850 3852 1 5 . 1 1 74 74 SER N N 74 112.626 112.626 114.111 -1.485 17850 3853 1 5 . 1 1 74 74 SER HA H 74 4.287 4.287 4.612 -0.325 17850 3854 1 5 . 1 1 74 74 SER C C 74 174.717 174.717 173.857 0.860 17850 3855 1 5 . 1 1 74 74 SER CA C 74 59.582 59.582 57.554 2.028 17850 3856 1 5 . 1 1 74 74 SER CB C 74 63.746 63.746 64.268 -0.522 17850 3857 1 5 . 1 1 74 74 SER H H 74 7.857 7.857 7.886 -0.029 17850 3858 1 5 . 1 1 75 75 ARG N N 75 122.130 122.130 120.902 1.228 17850 3859 1 5 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.536 -0.389 17850 3860 1 5 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.628 2.147 17850 3861 1 5 . 1 1 75 75 ARG CB C 75 30.666 30.666 29.861 0.805 17850 3862 1 5 . 1 1 75 75 ARG H H 75 7.208 7.208 7.515 -0.307 17850 3863 1 5 . 1 1 76 76 GLN N N 76 121.749 121.749 118.611 3.138 17850 3864 1 5 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.525 -0.241 17850 3865 1 5 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.802 0.391 17850 3866 1 5 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.434 -1.377 17850 3867 1 5 . 1 1 76 76 GLN H H 76 8.327 8.327 7.524 0.803 17850 3868 1 5 . 1 1 77 77 LEU N N 77 124.093 124.093 123.474 0.619 17850 3869 1 5 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.502 -0.063 17850 3870 1 5 . 1 1 77 77 LEU C C 77 177.670 177.670 176.563 1.107 17850 3871 1 5 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.296 -0.013 17850 3872 1 5 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.776 0.004 17850 3873 1 5 . 1 1 77 77 LEU H H 77 8.264 8.264 8.177 0.087 17850 3874 1 5 . 1 1 78 78 LYS N N 78 121.053 121.053 119.777 1.276 17850 3875 1 5 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.445 -0.038 17850 3876 1 5 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.801 -0.616 17850 3877 1 5 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.250 0.027 17850 3878 1 5 . 1 1 78 78 LYS H H 78 8.433 8.433 8.364 0.069 17850 3879 1 5 . 1 1 79 79 SER N N 79 116.423 116.423 116.265 0.158 17850 3880 1 5 . 1 1 79 79 SER HA H 79 4.321 4.321 4.647 -0.326 17850 3881 1 5 . 1 1 79 79 SER C C 79 175.145 175.145 173.657 1.488 17850 3882 1 5 . 1 1 79 79 SER CA C 79 59.795 59.795 57.760 2.035 17850 3883 1 5 . 1 1 79 79 SER CB C 79 63.226 63.226 63.810 -0.584 17850 3884 1 5 . 1 1 79 79 SER H H 79 8.448 8.448 8.358 0.090 17850 3885 1 5 . 1 1 80 80 ASN N N 80 119.581 119.581 120.568 -0.987 17850 3886 1 5 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.529 0.170 17850 3887 1 5 . 1 1 80 80 ASN C C 80 175.726 175.726 176.921 -1.195 17850 3888 1 5 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.398 -1.985 17850 3889 1 5 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.728 -0.140 17850 3890 1 5 . 1 1 80 80 ASN H H 80 8.513 8.513 8.257 0.256 17850 3891 1 5 . 1 1 81 81 ASP N N 81 120.378 120.378 119.412 0.966 17850 3892 1 5 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.585 0.045 17850 3893 1 5 . 1 1 81 81 ASP C C 81 177.281 177.281 178.080 -0.799 17850 3894 1 5 . 1 1 81 81 ASP CA C 81 55.593 55.593 56.881 -1.288 17850 3895 1 5 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.519 1.087 17850 3896 1 5 . 1 1 81 81 ASP H H 81 7.957 7.957 8.627 -0.670 17850 3897 1 5 . 1 1 82 82 SER N N 82 117.046 117.046 115.480 1.566 17850 3898 1 5 . 1 1 82 82 SER HA H 82 4.194 4.194 4.089 0.105 17850 3899 1 5 . 1 1 82 82 SER C C 82 176.745 176.745 176.229 0.516 17850 3900 1 5 . 1 1 82 82 SER CA C 82 61.376 61.376 61.076 0.300 17850 3901 1 5 . 1 1 82 82 SER CB C 82 62.896 62.896 62.868 0.028 17850 3902 1 5 . 1 1 82 82 SER H H 82 8.469 8.469 8.688 -0.219 17850 3903 1 5 . 1 1 83 83 GLU N N 83 122.405 122.405 119.054 3.351 17850 3904 1 5 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.113 -0.013 17850 3905 1 5 . 1 1 83 83 GLU C C 83 178.740 178.740 179.036 -0.296 17850 3906 1 5 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.541 -0.076 17850 3907 1 5 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.682 -0.278 17850 3908 1 5 . 1 1 83 83 GLU H H 83 8.357 8.357 8.300 0.057 17850 3909 1 5 . 1 1 84 84 GLN N N 84 118.604 118.604 119.115 -0.511 17850 3910 1 5 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.094 0.015 17850 3911 1 5 . 1 1 84 84 GLN C C 84 178.533 178.533 178.842 -0.309 17850 3912 1 5 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.497 -0.030 17850 3913 1 5 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.703 0.719 17850 3914 1 5 . 1 1 84 84 GLN H H 84 7.988 7.988 7.914 0.074 17850 3915 1 5 . 1 1 85 85 GLU N N 85 119.418 119.418 119.187 0.231 17850 3916 1 5 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.276 -0.334 17850 3917 1 5 . 1 1 85 85 GLU C C 85 178.250 178.250 179.029 -0.779 17850 3918 1 5 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.522 0.602 17850 3919 1 5 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.258 0.314 17850 3920 1 5 . 1 1 85 85 GLU H H 85 8.228 8.228 7.540 0.688 17850 3921 1 5 . 1 1 86 86 LEU N N 86 120.010 120.010 117.535 2.475 17850 3922 1 5 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.169 -0.010 17850 3923 1 5 . 1 1 86 86 LEU C C 86 178.534 178.534 178.860 -0.326 17850 3924 1 5 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.247 -0.040 17850 3925 1 5 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.760 0.866 17850 3926 1 5 . 1 1 86 86 LEU H H 86 7.797 7.797 7.600 0.197 17850 3927 1 5 . 1 1 87 87 LEU N N 87 119.111 119.111 120.232 -1.121 17850 3928 1 5 . 1 1 87 87 LEU HA H 87 4.104 4.104 3.957 0.147 17850 3929 1 5 . 1 1 87 87 LEU C C 87 179.333 179.333 179.552 -0.219 17850 3930 1 5 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.279 -0.036 17850 3931 1 5 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.583 0.183 17850 3932 1 5 . 1 1 87 87 LEU H H 87 7.825 7.825 8.793 -0.968 17850 3933 1 5 . 1 1 88 88 GLU N N 88 117.514 117.514 118.736 -1.222 17850 3934 1 5 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.467 -0.366 17850 3935 1 5 . 1 1 88 88 GLU C C 88 179.461 179.461 178.312 1.149 17850 3936 1 5 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.843 0.173 17850 3937 1 5 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.601 -0.931 17850 3938 1 5 . 1 1 88 88 GLU H H 88 8.265 8.265 8.330 -0.065 17850 3939 1 5 . 1 1 89 89 ALA N N 89 120.734 120.734 124.294 -3.560 17850 3940 1 5 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.271 0.896 17850 3941 1 5 . 1 1 89 89 ALA C C 89 178.362 178.362 178.329 0.033 17850 3942 1 5 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.013 1.064 17850 3943 1 5 . 1 1 89 89 ALA CB C 89 17.983 17.983 18.848 -0.865 17850 3944 1 5 . 1 1 89 89 ALA H H 89 8.192 8.192 8.412 -0.220 17850 3945 1 5 . 1 1 90 90 PHE N N 90 119.339 119.339 118.137 1.202 17850 3946 1 5 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.944 -0.745 17850 3947 1 5 . 1 1 90 90 PHE C C 90 177.497 177.497 177.608 -0.111 17850 3948 1 5 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.072 1.113 17850 3949 1 5 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.270 1.550 17850 3950 1 5 . 1 1 90 90 PHE H H 90 8.685 8.685 8.484 0.201 17850 3951 1 5 . 1 1 91 91 LYS N N 91 116.189 116.189 119.815 -3.626 17850 3952 1 5 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.908 0.040 17850 3953 1 5 . 1 1 91 91 LYS C C 91 178.236 178.236 178.125 0.111 17850 3954 1 5 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.478 0.035 17850 3955 1 5 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.767 0.104 17850 3956 1 5 . 1 1 91 91 LYS H H 91 8.112 8.112 7.343 0.769 17850 3957 1 5 . 1 1 92 92 VAL N N 92 117.696 117.696 117.150 0.546 17850 3958 1 5 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.895 -0.323 17850 3959 1 5 . 1 1 92 92 VAL C C 92 176.545 176.545 176.941 -0.396 17850 3960 1 5 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.051 0.521 17850 3961 1 5 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.172 -0.746 17850 3962 1 5 . 1 1 92 92 VAL H H 92 7.383 7.383 7.863 -0.480 17850 3963 1 5 . 1 1 93 93 PHE N N 93 114.826 114.826 117.925 -3.099 17850 3964 1 5 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.685 -0.458 17850 3965 1 5 . 1 1 93 93 PHE C C 93 176.417 176.417 176.165 0.252 17850 3966 1 5 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.805 0.795 17850 3967 1 5 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.880 2.316 17850 3968 1 5 . 1 1 93 93 PHE H H 93 7.116 7.116 7.992 -0.876 17850 3969 1 5 . 1 1 94 94 ASP N N 94 116.753 116.753 124.412 -7.659 17850 3970 1 5 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.513 0.018 17850 3971 1 5 . 1 1 94 94 ASP C C 94 177.305 177.305 177.150 0.155 17850 3972 1 5 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.340 -2.869 17850 3973 1 5 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.518 -1.677 17850 3974 1 5 . 1 1 94 94 ASP H H 94 7.849 7.849 8.227 -0.378 17850 3975 1 5 . 1 1 95 95 LYS N N 95 125.185 125.185 119.353 5.832 17850 3976 1 5 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.164 -0.161 17850 3977 1 5 . 1 1 95 95 LYS C C 95 178.261 178.261 176.949 1.312 17850 3978 1 5 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.778 1.299 17850 3979 1 5 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.383 -1.193 17850 3980 1 5 . 1 1 95 95 LYS H H 95 7.755 7.755 7.826 -0.071 17850 3981 1 5 . 1 1 96 96 ASN N N 96 112.542 112.542 119.756 -7.214 17850 3982 1 5 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.364 0.421 17850 3983 1 5 . 1 1 96 96 ASN C C 96 176.469 176.469 174.520 1.949 17850 3984 1 5 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.968 -1.106 17850 3985 1 5 . 1 1 96 96 ASN H H 96 8.069 8.069 7.986 0.083 17850 3986 1 5 . 1 1 97 97 GLY N N 97 109.956 109.956 110.832 -0.876 17850 3987 1 5 . 1 1 97 97 GLY C C 97 175.032 175.032 175.749 -0.717 17850 3988 1 5 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.285 3.424 17850 3989 1 5 . 1 1 97 97 GLY H H 97 7.686 7.686 8.980 -1.294 17850 3990 1 5 . 1 1 98 98 ASP N N 98 119.383 119.383 120.246 -0.863 17850 3991 1 5 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.313 0.240 17850 3992 1 5 . 1 1 98 98 ASP C C 98 177.274 177.274 174.649 2.625 17850 3993 1 5 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.946 -1.612 17850 3994 1 5 . 1 1 98 98 ASP H H 98 8.249 8.249 8.051 0.198 17850 3995 1 5 . 1 1 99 99 GLY N N 99 112.398 112.398 105.480 6.918 17850 3996 1 5 . 1 1 99 99 GLY C C 99 173.128 173.128 174.028 -0.900 17850 3997 1 5 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.794 1.935 17850 3998 1 5 . 1 1 99 99 GLY H H 99 10.390 10.390 8.034 2.356 17850 3999 1 5 . 1 1 100 100 LEU N N 100 120.803 120.803 125.950 -5.147 17850 4000 1 5 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.718 0.547 17850 4001 1 5 . 1 1 100 100 LEU C C 100 176.427 176.427 177.525 -1.098 17850 4002 1 5 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.124 -2.348 17850 4003 1 5 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.658 4.543 17850 4004 1 5 . 1 1 100 100 LEU H H 100 7.987 7.987 9.164 -1.177 17850 4005 1 5 . 1 1 101 101 ILE N N 101 125.286 125.286 128.086 -2.800 17850 4006 1 5 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.545 0.177 17850 4007 1 5 . 1 1 101 101 ILE C C 101 175.432 175.432 177.135 -1.703 17850 4008 1 5 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.703 -0.454 17850 4009 1 5 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.536 -0.472 17850 4010 1 5 . 1 1 101 101 ILE H H 101 9.698 9.698 8.166 1.532 17850 4011 1 5 . 1 1 102 102 SER N N 102 123.133 123.133 117.144 5.989 17850 4012 1 5 . 1 1 102 102 SER HA H 102 4.969 4.969 4.071 0.898 17850 4013 1 5 . 1 1 102 102 SER C C 102 175.298 175.298 176.167 -0.869 17850 4014 1 5 . 1 1 102 102 SER CA C 102 55.994 55.994 62.107 -6.113 17850 4015 1 5 . 1 1 102 102 SER CB C 102 66.456 66.456 62.092 4.364 17850 4016 1 5 . 1 1 102 102 SER H H 102 9.095 9.095 8.649 0.446 17850 4017 1 5 . 1 1 103 103 ALA N N 103 122.886 122.886 121.837 1.049 17850 4018 1 5 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.811 0.078 17850 4019 1 5 . 1 1 103 103 ALA C C 103 179.237 179.237 180.070 -0.833 17850 4020 1 5 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.079 1.003 17850 4021 1 5 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.870 0.187 17850 4022 1 5 . 1 1 103 103 ALA H H 103 8.691 8.691 8.345 0.346 17850 4023 1 5 . 1 1 104 104 ALA N N 104 118.317 118.317 119.759 -1.442 17850 4024 1 5 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.727 0.347 17850 4025 1 5 . 1 1 104 104 ALA C C 104 181.451 181.451 179.388 2.063 17850 4026 1 5 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.483 0.802 17850 4027 1 5 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.739 -0.304 17850 4028 1 5 . 1 1 104 104 ALA H H 104 8.392 8.392 7.732 0.660 17850 4029 1 5 . 1 1 105 105 GLU N N 105 120.398 120.398 118.234 2.164 17850 4030 1 5 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.778 -0.718 17850 4031 1 5 . 1 1 105 105 GLU C C 105 179.223 179.223 177.480 1.743 17850 4032 1 5 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.659 -0.196 17850 4033 1 5 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.586 -1.435 17850 4034 1 5 . 1 1 105 105 GLU H H 105 7.879 7.879 8.170 -0.291 17850 4035 1 5 . 1 1 106 106 LEU N N 106 120.023 120.023 119.933 0.090 17850 4036 1 5 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.901 0.262 17850 4037 1 5 . 1 1 106 106 LEU C C 106 178.503 178.503 178.845 -0.342 17850 4038 1 5 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.527 0.162 17850 4039 1 5 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.882 1.405 17850 4040 1 5 . 1 1 106 106 LEU H H 106 8.479 8.479 8.719 -0.240 17850 4041 1 5 . 1 1 107 107 LYS N N 107 117.064 117.064 120.141 -3.077 17850 4042 1 5 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.942 -0.124 17850 4043 1 5 . 1 1 107 107 LYS C C 107 179.039 179.039 178.744 0.295 17850 4044 1 5 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.088 1.220 17850 4045 1 5 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.052 0.838 17850 4046 1 5 . 1 1 107 107 LYS H H 107 8.758 8.758 8.479 0.279 17850 4047 1 5 . 1 1 108 108 HIS N N 108 119.125 119.125 118.157 0.968 17850 4048 1 5 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.580 0.736 17850 4049 1 5 . 1 1 108 108 HIS C C 108 178.394 178.394 177.356 1.038 17850 4050 1 5 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.371 0.816 17850 4051 1 5 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.200 1.292 17850 4052 1 5 . 1 1 108 108 HIS H H 108 8.287 8.287 7.788 0.499 17850 4053 1 5 . 1 1 109 109 VAL N N 109 119.525 119.525 119.657 -0.132 17850 4054 1 5 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.796 -0.311 17850 4055 1 5 . 1 1 109 109 VAL C C 109 178.246 178.246 178.007 0.239 17850 4056 1 5 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.408 1.302 17850 4057 1 5 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.700 0.872 17850 4058 1 5 . 1 1 109 109 VAL H H 109 7.915 7.915 8.361 -0.446 17850 4059 1 5 . 1 1 110 110 LEU N N 110 117.403 117.403 118.882 -1.479 17850 4060 1 5 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.575 -0.596 17850 4061 1 5 . 1 1 110 110 LEU C C 110 178.968 178.968 177.548 1.420 17850 4062 1 5 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.057 1.161 17850 4063 1 5 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.633 -1.105 17850 4064 1 5 . 1 1 110 110 LEU H H 110 8.269 8.269 8.311 -0.042 17850 4065 1 5 . 1 1 111 111 THR N N 111 114.122 114.122 114.129 -0.007 17850 4066 1 5 . 1 1 111 111 THR HA H 111 4.184 4.184 4.177 0.007 17850 4067 1 5 . 1 1 111 111 THR C C 111 178.534 178.534 174.492 4.042 17850 4068 1 5 . 1 1 111 111 THR CA C 111 66.252 66.252 62.484 3.768 17850 4069 1 5 . 1 1 111 111 THR CB C 111 68.851 68.851 68.441 0.410 17850 4070 1 5 . 1 1 111 111 THR H H 111 8.441 8.441 7.583 0.858 17850 4071 1 5 . 1 1 112 112 SER N N 112 119.981 119.981 107.013 12.968 17850 4072 1 5 . 1 1 112 112 SER HA H 112 4.215 4.215 4.532 -0.317 17850 4073 1 5 . 1 1 112 112 SER C C 112 175.523 175.523 174.228 1.295 17850 4074 1 5 . 1 1 112 112 SER CA C 112 62.197 62.197 57.976 4.221 17850 4075 1 5 . 1 1 112 112 SER CB C 112 62.936 62.936 64.945 -2.009 17850 4076 1 5 . 1 1 112 112 SER H H 112 7.910 7.910 7.203 0.707 17850 4077 1 5 . 1 1 113 113 ILE N N 113 112.726 112.726 118.609 -5.883 17850 4078 1 5 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.888 0.596 17850 4079 1 5 . 1 1 113 113 ILE C C 113 175.636 175.636 174.817 0.819 17850 4080 1 5 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.308 -0.553 17850 4081 1 5 . 1 1 113 113 ILE H H 113 7.473 7.473 7.361 0.112 17850 4082 1 5 . 1 1 114 114 GLY N N 114 108.354 108.354 110.692 -2.338 17850 4083 1 5 . 1 1 114 114 GLY C C 114 174.583 174.583 173.777 0.806 17850 4084 1 5 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.657 0.193 17850 4085 1 5 . 1 1 114 114 GLY H H 114 7.652 7.652 7.978 -0.326 17850 4086 1 5 . 1 1 115 115 GLU N N 115 120.283 120.283 119.040 1.243 17850 4087 1 5 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.870 -0.565 17850 4088 1 5 . 1 1 115 115 GLU C C 115 175.444 175.444 175.390 0.054 17850 4089 1 5 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.515 -0.383 17850 4090 1 5 . 1 1 115 115 GLU CB C 115 30.250 30.250 31.788 -1.538 17850 4091 1 5 . 1 1 115 115 GLU H H 115 8.045 8.045 8.356 -0.311 17850 4092 1 5 . 1 1 116 116 LYS N N 116 124.370 124.370 123.841 0.529 17850 4093 1 5 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.602 -0.180 17850 4094 1 5 . 1 1 116 116 LYS C C 116 175.287 175.287 175.883 -0.596 17850 4095 1 5 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.075 0.560 17850 4096 1 5 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.940 -3.798 17850 4097 1 5 . 1 1 116 116 LYS H H 116 8.571 8.571 8.315 0.256 17850 4098 1 5 . 1 1 117 117 LEU N N 117 125.492 125.492 121.334 4.158 17850 4099 1 5 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.287 0.497 17850 4100 1 5 . 1 1 117 117 LEU C C 117 177.161 177.161 177.640 -0.479 17850 4101 1 5 . 1 1 117 117 LEU CA C 117 54.233 54.233 54.000 0.233 17850 4102 1 5 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.578 1.420 17850 4103 1 5 . 1 1 117 117 LEU H H 117 8.042 8.042 8.109 -0.067 17850 4104 1 5 . 1 1 118 118 THR N N 118 113.255 113.255 117.503 -4.248 17850 4105 1 5 . 1 1 118 118 THR HA H 118 4.497 4.497 3.985 0.512 17850 4106 1 5 . 1 1 118 118 THR C C 118 175.335 175.335 176.000 -0.665 17850 4107 1 5 . 1 1 118 118 THR CA C 118 60.434 60.434 65.462 -5.028 17850 4108 1 5 . 1 1 118 118 THR CB C 118 71.193 71.193 68.820 2.373 17850 4109 1 5 . 1 1 118 118 THR H H 118 8.995 8.995 8.683 0.312 17850 4110 1 5 . 1 1 119 119 ASP N N 119 120.837 120.837 117.364 3.473 17850 4111 1 5 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.576 -0.344 17850 4112 1 5 . 1 1 119 119 ASP C C 119 178.422 178.422 177.877 0.545 17850 4113 1 5 . 1 1 119 119 ASP CA C 119 58.097 58.097 55.853 2.244 17850 4114 1 5 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.469 -0.494 17850 4115 1 5 . 1 1 119 119 ASP H H 119 8.743 8.743 8.243 0.500 17850 4116 1 5 . 1 1 120 120 ALA N N 120 121.309 121.309 121.899 -0.590 17850 4117 1 5 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.166 -0.000 17850 4118 1 5 . 1 1 120 120 ALA C C 120 179.796 179.796 180.049 -0.253 17850 4119 1 5 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.378 0.650 17850 4120 1 5 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.053 -0.733 17850 4121 1 5 . 1 1 120 120 ALA H H 120 8.304 8.304 7.661 0.643 17850 4122 1 5 . 1 1 121 121 GLU N N 121 118.068 118.068 120.520 -2.452 17850 4123 1 5 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.038 0.019 17850 4124 1 5 . 1 1 121 121 GLU C C 121 180.035 180.035 177.306 2.729 17850 4125 1 5 . 1 1 121 121 GLU CA C 121 59.238 59.238 59.856 -0.618 17850 4126 1 5 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.492 0.937 17850 4127 1 5 . 1 1 121 121 GLU H H 121 7.705 7.705 8.735 -1.030 17850 4128 1 5 . 1 1 122 122 VAL N N 122 120.636 120.636 117.201 3.435 17850 4129 1 5 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.813 -0.276 17850 4130 1 5 . 1 1 122 122 VAL C C 122 177.120 177.120 177.124 -0.004 17850 4131 1 5 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.726 1.316 17850 4132 1 5 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.784 -0.392 17850 4133 1 5 . 1 1 122 122 VAL H H 122 7.935 7.935 7.704 0.231 17850 4134 1 5 . 1 1 123 123 ASP N N 123 120.336 120.336 117.876 2.460 17850 4135 1 5 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.506 -0.203 17850 4136 1 5 . 1 1 123 123 ASP C C 123 179.023 179.023 177.626 1.397 17850 4137 1 5 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.115 1.828 17850 4138 1 5 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.127 -0.456 17850 4139 1 5 . 1 1 123 123 ASP H H 123 8.204 8.204 7.633 0.571 17850 4140 1 5 . 1 1 124 124 ASP N N 124 118.890 118.890 120.759 -1.869 17850 4141 1 5 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.369 -0.029 17850 4142 1 5 . 1 1 124 124 ASP C C 124 178.527 178.527 178.579 -0.052 17850 4143 1 5 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.984 0.539 17850 4144 1 5 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.737 0.083 17850 4145 1 5 . 1 1 124 124 ASP H H 124 8.272 8.272 7.825 0.447 17850 4146 1 5 . 1 1 125 125 MET N N 125 119.365 119.365 118.333 1.032 17850 4147 1 5 . 1 1 125 125 MET HA H 125 4.091 4.091 4.120 -0.029 17850 4148 1 5 . 1 1 125 125 MET C C 125 178.021 178.021 178.066 -0.045 17850 4149 1 5 . 1 1 125 125 MET CA C 125 59.205 59.205 58.394 0.811 17850 4150 1 5 . 1 1 125 125 MET CB C 125 33.281 33.281 31.936 1.345 17850 4151 1 5 . 1 1 125 125 MET H H 125 7.750 7.750 8.337 -0.587 17850 4152 1 5 . 1 1 126 126 LEU N N 126 117.193 117.193 118.188 -0.995 17850 4153 1 5 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.986 -0.062 17850 4154 1 5 . 1 1 126 126 LEU C C 126 180.267 180.267 179.451 0.816 17850 4155 1 5 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.681 0.121 17850 4156 1 5 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.365 0.249 17850 4157 1 5 . 1 1 126 126 LEU H H 126 8.152 8.152 7.880 0.272 17850 4158 1 5 . 1 1 127 127 ARG N N 127 120.792 120.792 118.597 2.195 17850 4159 1 5 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.062 -0.021 17850 4160 1 5 . 1 1 127 127 ARG C C 127 178.027 178.027 177.817 0.210 17850 4161 1 5 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.498 0.783 17850 4162 1 5 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.510 -0.511 17850 4163 1 5 . 1 1 127 127 ARG H H 127 8.335 8.335 7.568 0.767 17850 4164 1 5 . 1 1 128 128 GLU N N 128 117.142 117.142 111.382 5.760 17850 4165 1 5 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.624 -0.518 17850 4166 1 5 . 1 1 128 128 GLU C C 128 178.618 178.618 175.516 3.102 17850 4167 1 5 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.865 3.340 17850 4168 1 5 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.846 -0.452 17850 4169 1 5 . 1 1 128 128 GLU H H 128 7.667 7.667 8.256 -0.589 17850 4170 1 5 . 1 1 129 129 VAL N N 129 108.345 108.345 118.383 -10.038 17850 4171 1 5 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.294 0.193 17850 4172 1 5 . 1 1 129 129 VAL C C 129 175.591 175.591 176.466 -0.875 17850 4173 1 5 . 1 1 129 129 VAL CA C 129 61.663 61.663 61.706 -0.043 17850 4174 1 5 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.270 -0.261 17850 4175 1 5 . 1 1 129 129 VAL H H 129 7.470 7.470 7.870 -0.400 17850 4176 1 5 . 1 1 130 130 SER N N 130 115.012 115.012 118.318 -3.306 17850 4177 1 5 . 1 1 130 130 SER HA H 130 4.670 4.670 4.093 0.577 17850 4178 1 5 . 1 1 130 130 SER C C 130 174.414 174.414 174.395 0.019 17850 4179 1 5 . 1 1 130 130 SER CA C 130 58.067 58.067 59.590 -1.523 17850 4180 1 5 . 1 1 130 130 SER CB C 130 65.814 65.814 61.970 3.844 17850 4181 1 5 . 1 1 130 130 SER H H 130 7.858 7.858 7.669 0.189 17850 4182 1 5 . 1 1 131 131 ASP N N 131 120.972 120.972 116.007 4.965 17850 4183 1 5 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.221 0.345 17850 4184 1 5 . 1 1 131 131 ASP C C 131 176.676 176.676 175.581 1.095 17850 4185 1 5 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.964 -0.181 17850 4186 1 5 . 1 1 131 131 ASP H H 131 8.478 8.478 8.290 0.188 17850 4187 1 5 . 1 1 132 132 GLY N N 132 105.512 105.512 108.484 -2.972 17850 4188 1 5 . 1 1 132 132 GLY C C 132 174.924 174.924 176.074 -1.150 17850 4189 1 5 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.145 -0.475 17850 4190 1 5 . 1 1 132 132 GLY H H 132 8.352 8.352 8.294 0.058 17850 4191 1 5 . 1 1 133 133 SER N N 133 116.718 116.718 113.935 2.783 17850 4192 1 5 . 1 1 133 133 SER HA H 133 4.435 4.435 4.385 0.050 17850 4193 1 5 . 1 1 133 133 SER C C 133 175.404 175.404 172.521 2.883 17850 4194 1 5 . 1 1 133 133 SER CA C 133 59.340 59.340 58.082 1.258 17850 4195 1 5 . 1 1 133 133 SER H H 133 8.104 8.104 8.607 -0.503 17850 4196 1 5 . 1 1 134 134 GLY N N 134 109.601 109.601 106.672 2.929 17850 4197 1 5 . 1 1 134 134 GLY C C 134 172.547 172.547 172.584 -0.037 17850 4198 1 5 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.268 2.555 17850 4199 1 5 . 1 1 134 134 GLY H H 134 8.555 8.555 7.757 0.798 17850 4200 1 5 . 1 1 135 135 GLU N N 135 117.166 117.166 115.580 1.586 17850 4201 1 5 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.899 0.128 17850 4202 1 5 . 1 1 135 135 GLU C C 135 175.280 175.280 174.606 0.674 17850 4203 1 5 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.795 -0.060 17850 4204 1 5 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.678 0.196 17850 4205 1 5 . 1 1 135 135 GLU H H 135 7.641 7.641 8.164 -0.523 17850 4206 1 5 . 1 1 136 136 ILE N N 136 114.256 114.256 125.842 -11.586 17850 4207 1 5 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.917 0.159 17850 4208 1 5 . 1 1 136 136 ILE C C 136 175.228 175.228 177.081 -1.853 17850 4209 1 5 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.571 -0.173 17850 4210 1 5 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.251 2.401 17850 4211 1 5 . 1 1 136 136 ILE H H 136 8.565 8.565 8.381 0.184 17850 4212 1 5 . 1 1 137 137 ASN N N 137 121.842 121.842 118.288 3.554 17850 4213 1 5 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.706 1.559 17850 4214 1 5 . 1 1 137 137 ASN C C 137 176.835 176.835 176.115 0.720 17850 4215 1 5 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.528 -3.501 17850 4216 1 5 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.723 1.990 17850 4217 1 5 . 1 1 137 137 ASN H H 137 8.767 8.767 8.419 0.348 17850 4218 1 5 . 1 1 138 138 ILE N N 138 118.075 118.075 118.020 0.055 17850 4219 1 5 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.946 -0.194 17850 4220 1 5 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.048 0.724 17850 4221 1 5 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.784 0.769 17850 4222 1 5 . 1 1 138 138 ILE H H 138 8.418 8.418 8.380 0.038 17850 4223 1 5 . 1 1 139 139 GLN N N 139 122.926 122.926 120.151 2.775 17850 4224 1 5 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.039 0.087 17850 4225 1 5 . 1 1 139 139 GLN C C 139 179.886 179.886 178.423 1.463 17850 4226 1 5 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.830 0.756 17850 4227 1 5 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.583 -0.798 17850 4228 1 5 . 1 1 139 139 GLN H H 139 7.632 7.632 7.912 -0.280 17850 4229 1 5 . 1 1 140 140 GLN N N 140 121.813 121.813 119.945 1.868 17850 4230 1 5 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.775 0.386 17850 4231 1 5 . 1 1 140 140 GLN C C 140 178.284 178.284 177.652 0.632 17850 4232 1 5 . 1 1 140 140 GLN CA C 140 58.216 58.216 59.036 -0.820 17850 4233 1 5 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.546 -0.108 17850 4234 1 5 . 1 1 140 140 GLN H H 140 8.416 8.416 8.678 -0.262 17850 4235 1 5 . 1 1 141 141 PHE N N 141 121.732 121.732 117.991 3.741 17850 4236 1 5 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.727 0.425 17850 4237 1 5 . 1 1 141 141 PHE C C 141 176.273 176.273 176.471 -0.198 17850 4238 1 5 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.369 0.591 17850 4239 1 5 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.028 2.033 17850 4240 1 5 . 1 1 141 141 PHE H H 141 9.030 9.030 8.162 0.868 17850 4241 1 5 . 1 1 142 142 ALA N N 142 119.852 119.852 121.418 -1.566 17850 4242 1 5 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.982 -0.179 17850 4243 1 5 . 1 1 142 142 ALA C C 142 180.733 180.733 179.720 1.013 17850 4244 1 5 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.412 0.798 17850 4245 1 5 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.132 -0.230 17850 4246 1 5 . 1 1 142 142 ALA H H 142 8.399 8.399 7.851 0.548 17850 4247 1 5 . 1 1 143 143 ALA N N 143 120.555 120.555 119.316 1.239 17850 4248 1 5 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.925 0.189 17850 4249 1 5 . 1 1 143 143 ALA C C 143 180.455 180.455 179.841 0.614 17850 4250 1 5 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.080 -0.067 17850 4251 1 5 . 1 1 143 143 ALA CB C 143 17.849 17.849 18.989 -1.140 17850 4252 1 5 . 1 1 143 143 ALA H H 143 7.627 7.627 7.374 0.253 17850 4253 1 5 . 1 1 144 144 LEU N N 144 121.054 121.054 113.046 8.008 17850 4254 1 5 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.150 -0.217 17850 4255 1 5 . 1 1 144 144 LEU C C 144 177.756 177.756 176.973 0.783 17850 4256 1 5 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.917 1.779 17850 4257 1 5 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.819 0.019 17850 4258 1 5 . 1 1 144 144 LEU H H 144 8.029 8.029 7.489 0.540 17850 4259 1 5 . 1 1 145 145 LEU N N 145 115.288 115.288 119.319 -4.031 17850 4260 1 5 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.430 -0.457 17850 4261 1 5 . 1 1 145 145 LEU C C 145 177.284 177.284 175.701 1.583 17850 4262 1 5 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.402 0.882 17850 4263 1 5 . 1 1 145 145 LEU CB C 145 41.610 41.610 41.999 -0.389 17850 4264 1 5 . 1 1 145 145 LEU H H 145 7.309 7.309 7.200 0.109 17850 4265 1 5 . 1 1 146 146 SER N N 146 114.503 114.503 115.332 -0.829 17850 4266 1 5 . 1 1 146 146 SER HA H 146 4.346 4.346 4.432 -0.086 17850 4267 1 5 . 1 1 146 146 SER C C 146 175.125 175.125 172.213 2.912 17850 4268 1 5 . 1 1 146 146 SER CA C 146 59.046 59.046 59.013 0.033 17850 4269 1 5 . 1 1 146 146 SER CB C 146 64.181 64.181 65.588 -1.407 17850 4270 1 5 . 1 1 146 146 SER H H 146 7.506 7.506 7.452 0.054 17850 4271 1 5 . 1 1 147 147 LYS N N 147 123.315 123.315 123.637 -0.322 17850 4272 1 5 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.544 -0.377 17850 4273 1 5 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.195 1.487 17850 4274 1 5 . 1 1 147 147 LYS H H 147 8.329 8.329 8.288 0.041 17850 4275 1 5 . 1 1 148 148 GLY N N 148 108.566 108.566 111.167 -2.601 17850 4276 1 5 . 1 1 148 148 GLY C C 148 174.394 174.394 175.166 -0.772 17850 4277 1 5 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.545 -0.018 17850 4278 1 5 . 1 1 148 148 GLY H H 148 8.353 8.353 8.404 -0.051 17850 4279 1 5 . 1 1 149 149 SER N N 149 115.356 115.356 119.660 -4.304 17850 4280 1 5 . 1 1 149 149 SER HA H 149 4.484 4.484 4.201 0.283 17850 4281 1 5 . 1 1 149 149 SER C C 149 175.038 175.038 173.781 1.257 17850 4282 1 5 . 1 1 149 149 SER CA C 149 58.418 58.418 58.595 -0.177 17850 4283 1 5 . 1 1 149 149 SER CB C 149 64.171 64.171 62.225 1.946 17850 4284 1 5 . 1 1 149 149 SER H H 149 7.993 7.993 9.114 -1.121 17850 4285 1 5 . 1 1 150 150 SER N N 150 118.028 118.028 114.265 3.763 17850 4286 1 5 . 1 1 150 150 SER HA H 150 4.490 4.490 4.780 -0.290 17850 4287 1 5 . 1 1 150 150 SER C C 150 175.034 175.034 173.857 1.177 17850 4288 1 5 . 1 1 150 150 SER CA C 150 59.029 59.029 57.021 2.008 17850 4289 1 5 . 1 1 150 150 SER CB C 150 63.407 63.407 65.348 -1.941 17850 4290 1 5 . 1 1 150 150 SER H H 150 8.530 8.530 7.616 0.914 17850 4291 1 6 . 1 1 1 1 GLY N N 1 109.911 109.911 110.183 -0.272 17850 4292 1 6 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.113 1.323 17850 4293 1 6 . 1 1 1 1 GLY H H 1 8.410 8.410 7.853 0.557 17850 4294 1 6 . 1 1 2 2 SER N N 2 115.579 115.579 118.582 -3.003 17850 4295 1 6 . 1 1 2 2 SER HA H 2 4.474 4.474 4.285 0.189 17850 4296 1 6 . 1 1 2 2 SER C C 2 174.661 174.661 174.561 0.100 17850 4297 1 6 . 1 1 2 2 SER CA C 2 58.374 58.374 58.181 0.193 17850 4298 1 6 . 1 1 2 2 SER CB C 2 63.986 63.986 62.319 1.667 17850 4299 1 6 . 1 1 2 2 SER H H 2 8.207 8.207 8.654 -0.447 17850 4300 1 6 . 1 1 3 3 SER N N 3 117.154 117.154 121.511 -4.357 17850 4301 1 6 . 1 1 3 3 SER HA H 3 4.439 4.439 4.462 -0.023 17850 4302 1 6 . 1 1 3 3 SER C C 3 174.122 174.122 172.940 1.182 17850 4303 1 6 . 1 1 3 3 SER CA C 3 58.695 58.695 58.048 0.647 17850 4304 1 6 . 1 1 3 3 SER CB C 3 63.865 63.865 62.780 1.085 17850 4305 1 6 . 1 1 3 3 SER H H 3 8.337 8.337 8.320 0.017 17850 4306 1 6 . 1 1 4 4 ASN N N 4 120.145 120.145 117.744 2.401 17850 4307 1 6 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.394 -0.668 17850 4308 1 6 . 1 1 4 4 ASN C C 4 174.741 174.741 175.554 -0.813 17850 4309 1 6 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.534 1.792 17850 4310 1 6 . 1 1 4 4 ASN CB C 4 38.802 38.802 41.039 -2.237 17850 4311 1 6 . 1 1 4 4 ASN H H 4 8.432 8.432 7.807 0.625 17850 4312 1 6 . 1 1 5 5 LEU N N 5 121.341 121.341 119.585 1.756 17850 4313 1 6 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.445 0.234 17850 4314 1 6 . 1 1 5 5 LEU C C 5 177.641 177.641 177.891 -0.250 17850 4315 1 6 . 1 1 5 5 LEU CA C 5 54.465 54.465 53.357 1.108 17850 4316 1 6 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.600 -0.887 17850 4317 1 6 . 1 1 5 5 LEU H H 5 7.966 7.966 8.920 -0.954 17850 4318 1 6 . 1 1 6 6 THR N N 6 113.168 113.168 116.491 -3.323 17850 4319 1 6 . 1 1 6 6 THR HA H 6 4.470 4.470 3.998 0.472 17850 4320 1 6 . 1 1 6 6 THR C C 6 175.390 175.390 176.436 -1.046 17850 4321 1 6 . 1 1 6 6 THR CA C 6 60.543 60.543 65.133 -4.590 17850 4322 1 6 . 1 1 6 6 THR CB C 6 71.190 71.190 68.313 2.877 17850 4323 1 6 . 1 1 6 6 THR H H 6 8.716 8.716 8.855 -0.139 17850 4324 1 6 . 1 1 7 7 GLU N N 7 120.480 120.480 119.229 1.251 17850 4325 1 6 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.159 -0.174 17850 4326 1 6 . 1 1 7 7 GLU C C 7 179.475 179.475 178.213 1.262 17850 4327 1 6 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.445 1.628 17850 4328 1 6 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.580 -0.287 17850 4329 1 6 . 1 1 7 7 GLU H H 7 8.997 8.997 7.756 1.241 17850 4330 1 6 . 1 1 8 8 GLU N N 8 119.766 119.766 117.082 2.684 17850 4331 1 6 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.362 -0.275 17850 4332 1 6 . 1 1 8 8 GLU C C 8 178.641 178.641 179.120 -0.479 17850 4333 1 6 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.668 1.167 17850 4334 1 6 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.531 -1.133 17850 4335 1 6 . 1 1 8 8 GLU H H 8 8.603 8.603 8.148 0.455 17850 4336 1 6 . 1 1 9 9 GLN N N 9 119.234 119.234 117.455 1.779 17850 4337 1 6 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.403 -0.474 17850 4338 1 6 . 1 1 9 9 GLN C C 9 178.969 178.969 178.087 0.882 17850 4339 1 6 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.537 2.181 17850 4340 1 6 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.722 2.860 17850 4341 1 6 . 1 1 9 9 GLN H H 9 7.730 7.730 8.296 -0.566 17850 4342 1 6 . 1 1 10 10 ILE N N 10 119.661 119.661 118.546 1.115 17850 4343 1 6 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.162 -0.399 17850 4344 1 6 . 1 1 10 10 ILE C C 10 178.040 178.040 177.084 0.956 17850 4345 1 6 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.118 3.103 17850 4346 1 6 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.556 0.396 17850 4347 1 6 . 1 1 10 10 ILE H H 10 8.398 8.398 7.721 0.677 17850 4348 1 6 . 1 1 11 11 ALA N N 11 121.678 121.678 122.443 -0.765 17850 4349 1 6 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.049 0.084 17850 4350 1 6 . 1 1 11 11 ALA C C 11 181.140 181.140 180.199 0.941 17850 4351 1 6 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.428 1.026 17850 4352 1 6 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.904 -0.992 17850 4353 1 6 . 1 1 11 11 ALA H H 11 8.037 8.037 7.756 0.281 17850 4354 1 6 . 1 1 12 12 GLU N N 12 118.175 118.175 118.139 0.036 17850 4355 1 6 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.346 -0.228 17850 4356 1 6 . 1 1 12 12 GLU C C 12 180.185 180.185 178.660 1.525 17850 4357 1 6 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.358 -0.163 17850 4358 1 6 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.937 0.442 17850 4359 1 6 . 1 1 12 12 GLU H H 12 7.869 7.869 7.723 0.146 17850 4360 1 6 . 1 1 13 13 PHE N N 13 119.011 119.011 118.907 0.104 17850 4361 1 6 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.104 0.786 17850 4362 1 6 . 1 1 13 13 PHE C C 13 178.486 178.486 178.373 0.113 17850 4363 1 6 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.360 -0.911 17850 4364 1 6 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.242 0.657 17850 4365 1 6 . 1 1 13 13 PHE H H 13 8.429 8.429 8.075 0.354 17850 4366 1 6 . 1 1 14 14 LYS N N 14 123.459 123.459 118.088 5.371 17850 4367 1 6 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.260 -0.228 17850 4368 1 6 . 1 1 14 14 LYS C C 14 179.131 179.131 178.865 0.266 17850 4369 1 6 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.414 2.076 17850 4370 1 6 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.435 -0.522 17850 4371 1 6 . 1 1 14 14 LYS H H 14 8.925 8.925 8.312 0.613 17850 4372 1 6 . 1 1 15 15 GLU N N 15 119.581 119.581 119.812 -0.231 17850 4373 1 6 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.387 -0.219 17850 4374 1 6 . 1 1 15 15 GLU C C 15 179.163 179.163 177.329 1.834 17850 4375 1 6 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.736 0.649 17850 4376 1 6 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.573 -0.186 17850 4377 1 6 . 1 1 15 15 GLU H H 15 8.064 8.064 7.793 0.271 17850 4378 1 6 . 1 1 16 16 ALA N N 16 120.993 120.993 121.056 -0.063 17850 4379 1 6 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.362 0.880 17850 4380 1 6 . 1 1 16 16 ALA C C 16 177.628 177.628 177.932 -0.304 17850 4381 1 6 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.502 2.683 17850 4382 1 6 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.933 -2.009 17850 4383 1 6 . 1 1 16 16 ALA H H 16 7.801 7.801 7.873 -0.072 17850 4384 1 6 . 1 1 17 17 PHE N N 17 118.745 118.745 119.211 -0.466 17850 4385 1 6 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.380 -1.026 17850 4386 1 6 . 1 1 17 17 PHE C C 17 177.500 177.500 176.749 0.751 17850 4387 1 6 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.822 1.878 17850 4388 1 6 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.075 1.903 17850 4389 1 6 . 1 1 17 17 PHE H H 17 8.469 8.469 7.642 0.827 17850 4390 1 6 . 1 1 18 18 ALA N N 18 119.942 119.942 118.117 1.825 17850 4391 1 6 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.693 0.317 17850 4392 1 6 . 1 1 18 18 ALA C C 18 178.535 178.535 178.225 0.310 17850 4393 1 6 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.231 0.185 17850 4394 1 6 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.361 0.126 17850 4395 1 6 . 1 1 18 18 ALA H H 18 8.187 8.187 7.277 0.910 17850 4396 1 6 . 1 1 19 19 LEU N N 19 116.851 116.851 114.890 1.961 17850 4397 1 6 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.326 -0.366 17850 4398 1 6 . 1 1 19 19 LEU C C 19 176.795 176.795 177.298 -0.503 17850 4399 1 6 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.475 2.960 17850 4400 1 6 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.173 -1.491 17850 4401 1 6 . 1 1 19 19 LEU H H 19 7.254 7.254 7.350 -0.096 17850 4402 1 6 . 1 1 20 20 PHE N N 20 111.977 111.977 121.146 -9.169 17850 4403 1 6 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.120 0.139 17850 4404 1 6 . 1 1 20 20 PHE C C 20 177.033 177.033 176.586 0.447 17850 4405 1 6 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.069 -0.413 17850 4406 1 6 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.640 4.524 17850 4407 1 6 . 1 1 20 20 PHE H H 20 7.041 7.041 7.847 -0.806 17850 4408 1 6 . 1 1 21 21 ASP N N 21 116.981 116.981 124.574 -7.593 17850 4409 1 6 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.400 0.185 17850 4410 1 6 . 1 1 21 21 ASP C C 21 177.297 177.297 177.319 -0.022 17850 4411 1 6 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.014 -3.343 17850 4412 1 6 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.385 -1.383 17850 4413 1 6 . 1 1 21 21 ASP H H 21 7.567 7.567 8.144 -0.577 17850 4414 1 6 . 1 1 22 22 LYS N N 22 124.748 124.748 116.147 8.601 17850 4415 1 6 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.166 -0.174 17850 4416 1 6 . 1 1 22 22 LYS C C 22 177.866 177.866 175.591 2.275 17850 4417 1 6 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.305 1.928 17850 4418 1 6 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.183 0.444 17850 4419 1 6 . 1 1 22 22 LYS H H 22 7.820 7.820 8.254 -0.434 17850 4420 1 6 . 1 1 23 23 ASP N N 23 114.211 114.211 116.747 -2.536 17850 4421 1 6 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.413 0.190 17850 4422 1 6 . 1 1 23 23 ASP C C 23 176.266 176.266 175.789 0.477 17850 4423 1 6 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.884 -2.237 17850 4424 1 6 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.589 -0.306 17850 4425 1 6 . 1 1 23 23 ASP H H 23 8.025 8.025 8.206 -0.181 17850 4426 1 6 . 1 1 24 24 ASN N N 24 115.587 115.587 117.177 -1.590 17850 4427 1 6 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.743 -0.354 17850 4428 1 6 . 1 1 24 24 ASN C C 24 174.828 174.828 176.514 -1.686 17850 4429 1 6 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.938 1.569 17850 4430 1 6 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.915 -0.884 17850 4431 1 6 . 1 1 24 24 ASN H H 24 7.962 7.962 8.134 -0.172 17850 4432 1 6 . 1 1 25 25 ASN N N 25 117.385 117.385 117.502 -0.117 17850 4433 1 6 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.631 0.217 17850 4434 1 6 . 1 1 25 25 ASN C C 25 177.553 177.553 174.319 3.234 17850 4435 1 6 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.999 -0.684 17850 4436 1 6 . 1 1 25 25 ASN H H 25 8.489 8.489 8.143 0.346 17850 4437 1 6 . 1 1 26 26 GLY N N 26 113.934 113.934 107.511 6.423 17850 4438 1 6 . 1 1 26 26 GLY C C 26 173.371 173.371 173.510 -0.139 17850 4439 1 6 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.300 0.238 17850 4440 1 6 . 1 1 26 26 GLY H H 26 10.580 10.580 8.614 1.966 17850 4441 1 6 . 1 1 27 27 SER N N 27 113.842 113.842 122.279 -8.437 17850 4442 1 6 . 1 1 27 27 SER HA H 27 5.358 5.358 4.677 0.681 17850 4443 1 6 . 1 1 27 27 SER C C 27 172.645 172.645 175.221 -2.576 17850 4444 1 6 . 1 1 27 27 SER CA C 27 57.474 57.474 57.731 -0.257 17850 4445 1 6 . 1 1 27 27 SER CB C 27 66.576 66.576 63.057 3.518 17850 4446 1 6 . 1 1 27 27 SER H H 27 7.793 7.793 9.001 -1.208 17850 4447 1 6 . 1 1 28 28 ILE N N 28 127.597 127.597 128.360 -0.763 17850 4448 1 6 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.220 0.605 17850 4449 1 6 . 1 1 28 28 ILE C C 28 175.890 175.890 176.942 -1.052 17850 4450 1 6 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.581 -0.405 17850 4451 1 6 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.835 -0.741 17850 4452 1 6 . 1 1 28 28 ILE H H 28 9.787 9.787 9.088 0.699 17850 4453 1 6 . 1 1 29 29 SER N N 29 124.860 124.860 116.089 8.771 17850 4454 1 6 . 1 1 29 29 SER HA H 29 4.813 4.813 4.146 0.667 17850 4455 1 6 . 1 1 29 29 SER C C 29 175.477 175.477 177.005 -1.528 17850 4456 1 6 . 1 1 29 29 SER CA C 29 56.583 56.583 60.961 -4.378 17850 4457 1 6 . 1 1 29 29 SER CB C 29 66.269 66.269 63.204 3.065 17850 4458 1 6 . 1 1 29 29 SER H H 29 9.320 9.320 8.359 0.961 17850 4459 1 6 . 1 1 30 30 SER N N 30 117.383 117.383 116.171 1.212 17850 4460 1 6 . 1 1 30 30 SER HA H 30 4.141 4.141 4.314 -0.173 17850 4461 1 6 . 1 1 30 30 SER C C 30 176.531 176.531 175.783 0.748 17850 4462 1 6 . 1 1 30 30 SER CA C 30 62.690 62.690 61.028 1.662 17850 4463 1 6 . 1 1 30 30 SER CB C 30 62.264 62.264 63.295 -1.031 17850 4464 1 6 . 1 1 30 30 SER H H 30 9.554 9.554 7.860 1.694 17850 4465 1 6 . 1 1 31 31 SER N N 31 116.232 116.232 115.054 1.178 17850 4466 1 6 . 1 1 31 31 SER HA H 31 4.309 4.309 4.386 -0.077 17850 4467 1 6 . 1 1 31 31 SER C C 31 178.017 178.017 175.543 2.474 17850 4468 1 6 . 1 1 31 31 SER CA C 31 61.332 61.332 60.077 1.255 17850 4469 1 6 . 1 1 31 31 SER CB C 31 62.512 62.512 63.720 -1.208 17850 4470 1 6 . 1 1 31 31 SER H H 31 8.141 8.141 7.522 0.619 17850 4471 1 6 . 1 1 32 32 GLU N N 32 125.663 125.663 118.998 6.665 17850 4472 1 6 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.247 -0.194 17850 4473 1 6 . 1 1 32 32 GLU C C 32 179.222 179.222 178.546 0.676 17850 4474 1 6 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.262 0.437 17850 4475 1 6 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.802 -0.549 17850 4476 1 6 . 1 1 32 32 GLU H H 32 7.947 7.947 8.338 -0.391 17850 4477 1 6 . 1 1 33 33 LEU N N 33 120.624 120.624 119.621 1.003 17850 4478 1 6 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.159 0.009 17850 4479 1 6 . 1 1 33 33 LEU C C 33 178.493 178.493 178.510 -0.017 17850 4480 1 6 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.723 1.184 17850 4481 1 6 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.030 1.287 17850 4482 1 6 . 1 1 33 33 LEU H H 33 8.424 8.424 8.549 -0.125 17850 4483 1 6 . 1 1 34 34 ALA N N 34 119.635 119.635 121.416 -1.781 17850 4484 1 6 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.082 -0.258 17850 4485 1 6 . 1 1 34 34 ALA C C 34 179.360 179.360 178.996 0.364 17850 4486 1 6 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.762 -0.166 17850 4487 1 6 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.766 -0.089 17850 4488 1 6 . 1 1 34 34 ALA H H 34 8.410 8.410 8.131 0.279 17850 4489 1 6 . 1 1 35 35 THR N N 35 114.602 114.602 116.885 -2.283 17850 4490 1 6 . 1 1 35 35 THR HA H 35 3.886 3.886 3.969 -0.083 17850 4491 1 6 . 1 1 35 35 THR C C 35 177.278 177.278 175.690 1.588 17850 4492 1 6 . 1 1 35 35 THR CA C 35 67.317 67.317 65.465 1.852 17850 4493 1 6 . 1 1 35 35 THR CB C 35 68.774 68.774 69.156 -0.382 17850 4494 1 6 . 1 1 35 35 THR H H 35 8.263 8.263 7.843 0.420 17850 4495 1 6 . 1 1 36 36 VAL N N 36 122.295 122.295 118.302 3.993 17850 4496 1 6 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.593 0.012 17850 4497 1 6 . 1 1 36 36 VAL C C 36 178.653 178.653 178.425 0.228 17850 4498 1 6 . 1 1 36 36 VAL CA C 36 66.738 66.738 65.921 0.817 17850 4499 1 6 . 1 1 36 36 VAL CB C 36 31.303 31.303 30.555 0.748 17850 4500 1 6 . 1 1 36 36 VAL H H 36 7.790 7.790 7.551 0.239 17850 4501 1 6 . 1 1 37 37 MET N N 37 117.677 117.677 116.836 0.841 17850 4502 1 6 . 1 1 37 37 MET HA H 37 3.642 3.642 4.451 -0.809 17850 4503 1 6 . 1 1 37 37 MET C C 37 178.172 178.172 179.235 -1.063 17850 4504 1 6 . 1 1 37 37 MET CA C 37 60.506 60.506 57.969 2.537 17850 4505 1 6 . 1 1 37 37 MET CB C 37 32.347 32.347 31.765 0.582 17850 4506 1 6 . 1 1 37 37 MET H H 37 8.081 8.081 7.882 0.199 17850 4507 1 6 . 1 1 38 38 ARG N N 38 118.309 118.309 120.628 -2.319 17850 4508 1 6 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.040 0.648 17850 4509 1 6 . 1 1 38 38 ARG C C 38 181.486 181.486 176.998 4.488 17850 4510 1 6 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.979 0.122 17850 4511 1 6 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.867 0.145 17850 4512 1 6 . 1 1 38 38 ARG H H 38 8.547 8.547 7.692 0.855 17850 4513 1 6 . 1 1 39 39 SER N N 39 119.250 119.250 109.533 9.717 17850 4514 1 6 . 1 1 39 39 SER HA H 39 4.301 4.301 4.415 -0.114 17850 4515 1 6 . 1 1 39 39 SER C C 39 174.899 174.899 174.760 0.139 17850 4516 1 6 . 1 1 39 39 SER CA C 39 61.925 61.925 58.577 3.348 17850 4517 1 6 . 1 1 39 39 SER CB C 39 62.773 62.773 63.916 -1.143 17850 4518 1 6 . 1 1 39 39 SER H H 39 8.226 8.226 7.544 0.682 17850 4519 1 6 . 1 1 40 40 LEU N N 40 119.516 119.516 116.741 2.775 17850 4520 1 6 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.010 0.260 17850 4521 1 6 . 1 1 40 40 LEU C C 40 176.681 176.681 176.285 0.396 17850 4522 1 6 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.208 0.375 17850 4523 1 6 . 1 1 40 40 LEU H H 40 7.343 7.343 7.830 -0.487 17850 4524 1 6 . 1 1 41 41 GLY N N 41 105.983 105.983 108.717 -2.734 17850 4525 1 6 . 1 1 41 41 GLY C C 41 174.471 174.471 174.939 -0.468 17850 4526 1 6 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.788 0.451 17850 4527 1 6 . 1 1 41 41 GLY H H 41 7.858 7.858 7.971 -0.113 17850 4528 1 6 . 1 1 42 42 LEU N N 42 120.442 120.442 117.888 2.554 17850 4529 1 6 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.479 -0.008 17850 4530 1 6 . 1 1 42 42 LEU C C 42 175.965 175.965 174.363 1.602 17850 4531 1 6 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.736 1.509 17850 4532 1 6 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.504 0.027 17850 4533 1 6 . 1 1 42 42 LEU H H 42 7.707 7.707 8.236 -0.529 17850 4534 1 6 . 1 1 43 43 SER HA H 43 4.798 4.798 4.215 0.583 17850 4535 1 6 . 1 1 43 43 SER CA C 43 54.912 54.912 57.340 -2.429 17850 4536 1 6 . 1 1 43 43 SER CB C 43 63.197 63.197 62.897 0.300 17850 4537 1 6 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.485 0.307 17850 4538 1 6 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.362 -0.481 17850 4539 1 6 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.772 -0.572 17850 4540 1 6 . 1 1 45 45 SER N N 45 119.898 119.898 121.753 -1.855 17850 4541 1 6 . 1 1 45 45 SER HA H 45 4.611 4.611 4.069 0.542 17850 4542 1 6 . 1 1 45 45 SER C C 45 174.913 174.913 176.206 -1.293 17850 4543 1 6 . 1 1 45 45 SER CA C 45 56.689 56.689 61.605 -4.916 17850 4544 1 6 . 1 1 45 45 SER CB C 45 65.502 65.502 63.316 2.186 17850 4545 1 6 . 1 1 45 45 SER H H 45 9.387 9.387 9.071 0.316 17850 4546 1 6 . 1 1 46 46 GLU N N 46 121.468 121.468 118.238 3.230 17850 4547 1 6 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.190 -0.251 17850 4548 1 6 . 1 1 46 46 GLU C C 46 179.002 179.002 178.748 0.254 17850 4549 1 6 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.271 0.864 17850 4550 1 6 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.816 0.531 17850 4551 1 6 . 1 1 46 46 GLU H H 46 8.913 8.913 8.573 0.340 17850 4552 1 6 . 1 1 47 47 ALA N N 47 121.115 121.115 121.955 -0.840 17850 4553 1 6 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.088 0.064 17850 4554 1 6 . 1 1 47 47 ALA C C 47 179.962 179.962 180.057 -0.095 17850 4555 1 6 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.569 0.549 17850 4556 1 6 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.054 -0.699 17850 4557 1 6 . 1 1 47 47 ALA H H 47 8.324 8.324 7.510 0.814 17850 4558 1 6 . 1 1 48 48 GLU N N 48 118.713 118.713 119.725 -1.012 17850 4559 1 6 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.849 0.255 17850 4560 1 6 . 1 1 48 48 GLU C C 48 179.558 179.558 178.255 1.303 17850 4561 1 6 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.139 -1.921 17850 4562 1 6 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.975 0.929 17850 4563 1 6 . 1 1 48 48 GLU H H 48 7.756 7.756 9.021 -1.265 17850 4564 1 6 . 1 1 49 49 VAL N N 49 119.108 119.108 119.843 -0.735 17850 4565 1 6 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.964 -0.500 17850 4566 1 6 . 1 1 49 49 VAL C C 49 177.505 177.505 178.042 -0.537 17850 4567 1 6 . 1 1 49 49 VAL CA C 49 67.471 67.471 64.998 2.473 17850 4568 1 6 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.395 0.046 17850 4569 1 6 . 1 1 49 49 VAL H H 49 8.129 8.129 7.485 0.644 17850 4570 1 6 . 1 1 50 50 ASN N N 50 117.942 117.942 119.160 -1.218 17850 4571 1 6 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.464 -0.076 17850 4572 1 6 . 1 1 50 50 ASN C C 50 177.275 177.275 177.266 0.009 17850 4573 1 6 . 1 1 50 50 ASN CA C 50 56.781 56.781 56.107 0.674 17850 4574 1 6 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.520 -0.123 17850 4575 1 6 . 1 1 50 50 ASN H H 50 8.071 8.071 7.708 0.363 17850 4576 1 6 . 1 1 51 51 ASP N N 51 120.669 120.669 118.816 1.853 17850 4577 1 6 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.508 -0.017 17850 4578 1 6 . 1 1 51 51 ASP C C 51 179.203 179.203 178.239 0.964 17850 4579 1 6 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.880 0.715 17850 4580 1 6 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.365 -1.051 17850 4581 1 6 . 1 1 51 51 ASP H H 51 8.364 8.364 8.289 0.075 17850 4582 1 6 . 1 1 52 52 LEU N N 52 122.409 122.409 118.912 3.497 17850 4583 1 6 . 1 1 52 52 LEU HA H 52 4.070 4.070 3.950 0.120 17850 4584 1 6 . 1 1 52 52 LEU C C 52 179.017 179.017 177.921 1.096 17850 4585 1 6 . 1 1 52 52 LEU CA C 52 58.457 58.457 58.139 0.318 17850 4586 1 6 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.552 0.529 17850 4587 1 6 . 1 1 52 52 LEU H H 52 8.018 8.018 8.565 -0.547 17850 4588 1 6 . 1 1 53 53 MET N N 53 117.391 117.391 117.902 -0.511 17850 4589 1 6 . 1 1 53 53 MET HA H 53 4.112 4.112 4.498 -0.386 17850 4590 1 6 . 1 1 53 53 MET CA C 53 57.472 57.472 57.164 0.308 17850 4591 1 6 . 1 1 53 53 MET CB C 53 30.021 30.021 33.219 -3.198 17850 4592 1 6 . 1 1 53 53 MET H H 53 8.562 8.562 8.514 0.048 17850 4593 1 6 . 1 1 54 54 ASN N N 54 115.554 115.554 116.110 -0.556 17850 4594 1 6 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.617 -0.059 17850 4595 1 6 . 1 1 54 54 ASN C C 54 176.801 176.801 175.548 1.253 17850 4596 1 6 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.299 0.998 17850 4597 1 6 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.753 -0.596 17850 4598 1 6 . 1 1 54 54 ASN H H 54 8.204 8.204 8.201 0.003 17850 4599 1 6 . 1 1 55 55 GLU N N 55 117.659 117.659 114.541 3.118 17850 4600 1 6 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.441 -0.239 17850 4601 1 6 . 1 1 55 55 GLU C C 55 177.093 177.093 176.844 0.249 17850 4602 1 6 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.733 2.094 17850 4603 1 6 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.244 -0.223 17850 4604 1 6 . 1 1 55 55 GLU H H 55 7.617 7.617 7.300 0.317 17850 4605 1 6 . 1 1 56 56 ILE N N 56 117.618 117.618 123.158 -5.540 17850 4606 1 6 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.166 -0.282 17850 4607 1 6 . 1 1 56 56 ILE C C 56 176.029 176.029 176.787 -0.758 17850 4608 1 6 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.073 -0.259 17850 4609 1 6 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.353 1.575 17850 4610 1 6 . 1 1 56 56 ILE H H 56 7.472 7.472 7.750 -0.278 17850 4611 1 6 . 1 1 57 57 ASP N N 57 118.636 118.636 125.311 -6.675 17850 4612 1 6 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.438 -0.026 17850 4613 1 6 . 1 1 57 57 ASP C C 57 175.691 175.691 176.884 -1.193 17850 4614 1 6 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.792 -1.259 17850 4615 1 6 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.367 -0.122 17850 4616 1 6 . 1 1 57 57 ASP H H 57 8.304 8.304 9.044 -0.740 17850 4617 1 6 . 1 1 58 58 VAL N N 58 126.376 126.376 117.555 8.821 17850 4618 1 6 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.117 -0.123 17850 4619 1 6 . 1 1 58 58 VAL C C 58 177.258 177.258 176.573 0.685 17850 4620 1 6 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.574 2.760 17850 4621 1 6 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.650 1.657 17850 4622 1 6 . 1 1 58 58 VAL H H 58 7.926 7.926 7.709 0.217 17850 4623 1 6 . 1 1 59 59 ASP N N 59 117.093 117.093 119.276 -2.183 17850 4624 1 6 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.282 0.275 17850 4625 1 6 . 1 1 59 59 ASP C C 59 177.759 177.759 176.983 0.776 17850 4626 1 6 . 1 1 59 59 ASP CA C 59 53.876 53.876 55.089 -1.213 17850 4627 1 6 . 1 1 59 59 ASP H H 59 8.363 8.363 8.286 0.077 17850 4628 1 6 . 1 1 60 60 GLY N N 60 108.290 108.290 108.394 -0.104 17850 4629 1 6 . 1 1 60 60 GLY C C 60 174.700 174.700 175.136 -0.436 17850 4630 1 6 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.906 3.215 17850 4631 1 6 . 1 1 60 60 GLY H H 60 7.636 7.636 8.858 -1.222 17850 4632 1 6 . 1 1 61 61 ASN N N 61 118.884 118.884 115.770 3.114 17850 4633 1 6 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.269 0.260 17850 4634 1 6 . 1 1 61 61 ASN C C 61 175.856 175.856 172.691 3.165 17850 4635 1 6 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.705 -2.345 17850 4636 1 6 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.499 0.678 17850 4637 1 6 . 1 1 61 61 ASN H H 61 8.078 8.078 9.082 -1.004 17850 4638 1 6 . 1 1 62 62 HIS N N 62 117.381 117.381 112.759 4.622 17850 4639 1 6 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.066 -1.189 17850 4640 1 6 . 1 1 62 62 HIS C C 62 172.310 172.310 173.147 -0.837 17850 4641 1 6 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.287 2.086 17850 4642 1 6 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.348 -8.614 17850 4643 1 6 . 1 1 62 62 HIS H H 62 9.958 9.958 8.644 1.314 17850 4644 1 6 . 1 1 63 63 GLN N N 63 112.906 112.906 119.349 -6.443 17850 4645 1 6 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.034 -0.202 17850 4646 1 6 . 1 1 63 63 GLN C C 63 174.861 174.861 175.995 -1.134 17850 4647 1 6 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.156 -0.281 17850 4648 1 6 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.366 1.784 17850 4649 1 6 . 1 1 63 63 GLN H H 63 7.535 7.535 7.972 -0.437 17850 4650 1 6 . 1 1 64 64 ILE N N 64 124.083 124.083 126.949 -2.866 17850 4651 1 6 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.777 0.295 17850 4652 1 6 . 1 1 64 64 ILE C C 64 176.670 176.670 176.234 0.436 17850 4653 1 6 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.204 -0.533 17850 4654 1 6 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.398 -1.231 17850 4655 1 6 . 1 1 64 64 ILE H H 64 9.274 9.274 8.205 1.069 17850 4656 1 6 . 1 1 65 65 GLU N N 65 129.276 129.276 120.893 8.383 17850 4657 1 6 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.518 2.522 17850 4658 1 6 . 1 1 65 65 GLU C C 65 178.156 178.156 176.530 1.626 17850 4659 1 6 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.894 -0.046 17850 4660 1 6 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.336 1.844 17850 4661 1 6 . 1 1 65 65 GLU H H 65 8.848 8.848 8.869 -0.021 17850 4662 1 6 . 1 1 66 66 PHE N N 66 124.260 124.260 118.563 5.697 17850 4663 1 6 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.850 -0.160 17850 4664 1 6 . 1 1 66 66 PHE C C 66 177.294 177.294 176.982 0.312 17850 4665 1 6 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.296 1.724 17850 4666 1 6 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.787 -0.833 17850 4667 1 6 . 1 1 66 66 PHE H H 66 9.353 9.353 7.976 1.377 17850 4668 1 6 . 1 1 67 67 SER N N 67 112.827 112.827 118.524 -5.697 17850 4669 1 6 . 1 1 67 67 SER HA H 67 3.726 3.726 4.128 -0.402 17850 4670 1 6 . 1 1 67 67 SER C C 67 177.352 177.352 176.623 0.729 17850 4671 1 6 . 1 1 67 67 SER CA C 67 61.581 61.581 61.123 0.458 17850 4672 1 6 . 1 1 67 67 SER CB C 67 61.379 61.379 62.834 -1.455 17850 4673 1 6 . 1 1 67 67 SER H H 67 9.035 9.035 8.134 0.901 17850 4674 1 6 . 1 1 68 68 GLU N N 68 123.071 123.071 120.117 2.954 17850 4675 1 6 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.969 0.166 17850 4676 1 6 . 1 1 68 68 GLU C C 68 178.895 178.895 177.911 0.984 17850 4677 1 6 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.034 -2.056 17850 4678 1 6 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.218 -0.941 17850 4679 1 6 . 1 1 68 68 GLU H H 68 6.829 6.829 8.765 -1.936 17850 4680 1 6 . 1 1 69 69 PHE N N 69 123.805 123.805 117.194 6.611 17850 4681 1 6 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.966 -0.067 17850 4682 1 6 . 1 1 69 69 PHE C C 69 176.325 176.325 176.321 0.004 17850 4683 1 6 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.238 1.188 17850 4684 1 6 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.847 2.581 17850 4685 1 6 . 1 1 69 69 PHE H H 69 8.245 8.245 7.526 0.719 17850 4686 1 6 . 1 1 70 70 LEU N N 70 119.210 119.210 118.245 0.965 17850 4687 1 6 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.027 -0.791 17850 4688 1 6 . 1 1 70 70 LEU C C 70 179.131 179.131 177.455 1.676 17850 4689 1 6 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.576 0.901 17850 4690 1 6 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.422 -0.094 17850 4691 1 6 . 1 1 70 70 LEU H H 70 8.788 8.788 7.559 1.229 17850 4692 1 6 . 1 1 71 71 ALA N N 71 121.612 121.612 120.343 1.269 17850 4693 1 6 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.033 -0.124 17850 4694 1 6 . 1 1 71 71 ALA C C 71 179.804 179.804 179.355 0.449 17850 4695 1 6 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.795 0.321 17850 4696 1 6 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.128 -1.366 17850 4697 1 6 . 1 1 71 71 ALA H H 71 7.365 7.365 6.932 0.433 17850 4698 1 6 . 1 1 72 72 LEU N N 72 118.944 118.944 116.658 2.286 17850 4699 1 6 . 1 1 72 72 LEU HA H 72 3.964 3.964 4.041 -0.077 17850 4700 1 6 . 1 1 72 72 LEU C C 72 178.415 178.415 177.309 1.106 17850 4701 1 6 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.503 1.314 17850 4702 1 6 . 1 1 72 72 LEU CB C 72 41.468 41.468 42.049 -0.581 17850 4703 1 6 . 1 1 72 72 LEU H H 72 7.142 7.142 7.449 -0.307 17850 4704 1 6 . 1 1 73 73 MET N N 73 114.500 114.500 112.899 1.601 17850 4705 1 6 . 1 1 73 73 MET HA H 73 3.978 3.978 4.620 -0.642 17850 4706 1 6 . 1 1 73 73 MET C C 73 178.283 178.283 175.202 3.081 17850 4707 1 6 . 1 1 73 73 MET CA C 73 55.701 55.701 54.911 0.790 17850 4708 1 6 . 1 1 73 73 MET CB C 73 30.742 30.742 33.126 -2.384 17850 4709 1 6 . 1 1 73 73 MET H H 73 7.726 7.726 7.331 0.395 17850 4710 1 6 . 1 1 74 74 SER N N 74 112.626 112.626 116.136 -3.510 17850 4711 1 6 . 1 1 74 74 SER HA H 74 4.287 4.287 4.628 -0.341 17850 4712 1 6 . 1 1 74 74 SER C C 74 174.717 174.717 173.407 1.310 17850 4713 1 6 . 1 1 74 74 SER CA C 74 59.582 59.582 58.396 1.186 17850 4714 1 6 . 1 1 74 74 SER CB C 74 63.746 63.746 65.288 -1.542 17850 4715 1 6 . 1 1 74 74 SER H H 74 7.857 7.857 8.039 -0.182 17850 4716 1 6 . 1 1 75 75 ARG N N 75 122.130 122.130 121.833 0.297 17850 4717 1 6 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.212 -0.065 17850 4718 1 6 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.950 0.825 17850 4719 1 6 . 1 1 75 75 ARG CB C 75 30.666 30.666 29.283 1.383 17850 4720 1 6 . 1 1 75 75 ARG H H 75 7.208 7.208 8.008 -0.800 17850 4721 1 6 . 1 1 76 76 GLN N N 76 121.749 121.749 121.628 0.121 17850 4722 1 6 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.554 -0.270 17850 4723 1 6 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.427 -0.234 17850 4724 1 6 . 1 1 76 76 GLN CB C 76 29.057 29.057 29.976 -0.919 17850 4725 1 6 . 1 1 76 76 GLN H H 76 8.327 8.327 8.261 0.066 17850 4726 1 6 . 1 1 77 77 LEU N N 77 124.093 124.093 117.170 6.923 17850 4727 1 6 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.027 0.412 17850 4728 1 6 . 1 1 77 77 LEU C C 77 177.670 177.670 175.847 1.823 17850 4729 1 6 . 1 1 77 77 LEU CA C 77 55.283 55.283 56.197 -0.914 17850 4730 1 6 . 1 1 77 77 LEU CB C 77 42.780 42.780 40.595 2.185 17850 4731 1 6 . 1 1 77 77 LEU H H 77 8.264 8.264 8.576 -0.312 17850 4732 1 6 . 1 1 78 78 LYS N N 78 121.053 121.053 113.214 7.839 17850 4733 1 6 . 1 1 78 78 LYS HA H 78 4.407 4.407 3.912 0.495 17850 4734 1 6 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.711 -1.526 17850 4735 1 6 . 1 1 78 78 LYS CB C 78 33.277 33.277 31.742 1.535 17850 4736 1 6 . 1 1 78 78 LYS H H 78 8.433 8.433 8.316 0.117 17850 4737 1 6 . 1 1 79 79 SER N N 79 116.423 116.423 115.122 1.301 17850 4738 1 6 . 1 1 79 79 SER HA H 79 4.321 4.321 4.592 -0.271 17850 4739 1 6 . 1 1 79 79 SER C C 79 175.145 175.145 174.547 0.598 17850 4740 1 6 . 1 1 79 79 SER CA C 79 59.795 59.795 58.672 1.123 17850 4741 1 6 . 1 1 79 79 SER CB C 79 63.226 63.226 64.499 -1.273 17850 4742 1 6 . 1 1 79 79 SER H H 79 8.448 8.448 7.858 0.590 17850 4743 1 6 . 1 1 80 80 ASN N N 80 119.581 119.581 120.343 -0.762 17850 4744 1 6 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.599 0.100 17850 4745 1 6 . 1 1 80 80 ASN C C 80 175.726 175.726 177.601 -1.875 17850 4746 1 6 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.477 -2.063 17850 4747 1 6 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.534 0.054 17850 4748 1 6 . 1 1 80 80 ASN H H 80 8.513 8.513 7.819 0.694 17850 4749 1 6 . 1 1 81 81 ASP N N 81 120.378 120.378 119.316 1.062 17850 4750 1 6 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.321 0.309 17850 4751 1 6 . 1 1 81 81 ASP C C 81 177.281 177.281 177.172 0.109 17850 4752 1 6 . 1 1 81 81 ASP CA C 81 55.593 55.593 56.786 -1.193 17850 4753 1 6 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.389 1.218 17850 4754 1 6 . 1 1 81 81 ASP H H 81 7.957 7.957 8.448 -0.491 17850 4755 1 6 . 1 1 82 82 SER N N 82 117.046 117.046 114.584 2.462 17850 4756 1 6 . 1 1 82 82 SER HA H 82 4.194 4.194 4.430 -0.236 17850 4757 1 6 . 1 1 82 82 SER C C 82 176.745 176.745 176.148 0.597 17850 4758 1 6 . 1 1 82 82 SER CA C 82 61.376 61.376 61.060 0.316 17850 4759 1 6 . 1 1 82 82 SER CB C 82 62.896 62.896 63.468 -0.572 17850 4760 1 6 . 1 1 82 82 SER H H 82 8.469 8.469 7.986 0.483 17850 4761 1 6 . 1 1 83 83 GLU N N 83 122.405 122.405 119.269 3.136 17850 4762 1 6 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.076 0.024 17850 4763 1 6 . 1 1 83 83 GLU C C 83 178.740 178.740 178.963 -0.223 17850 4764 1 6 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.952 -0.487 17850 4765 1 6 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.752 -0.348 17850 4766 1 6 . 1 1 83 83 GLU H H 83 8.357 8.357 8.481 -0.124 17850 4767 1 6 . 1 1 84 84 GLN N N 84 118.604 118.604 119.096 -0.492 17850 4768 1 6 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.004 0.105 17850 4769 1 6 . 1 1 84 84 GLN C C 84 178.533 178.533 178.327 0.206 17850 4770 1 6 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.953 -0.486 17850 4771 1 6 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.880 0.541 17850 4772 1 6 . 1 1 84 84 GLN H H 84 7.988 7.988 8.519 -0.531 17850 4773 1 6 . 1 1 85 85 GLU N N 85 119.418 119.418 119.035 0.383 17850 4774 1 6 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.206 -0.264 17850 4775 1 6 . 1 1 85 85 GLU C C 85 178.250 178.250 178.650 -0.400 17850 4776 1 6 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.547 0.577 17850 4777 1 6 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.740 -0.168 17850 4778 1 6 . 1 1 85 85 GLU H H 85 8.228 8.228 7.308 0.920 17850 4779 1 6 . 1 1 86 86 LEU N N 86 120.010 120.010 117.808 2.202 17850 4780 1 6 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.138 0.021 17850 4781 1 6 . 1 1 86 86 LEU C C 86 178.534 178.534 179.214 -0.680 17850 4782 1 6 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.492 -0.285 17850 4783 1 6 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.125 0.501 17850 4784 1 6 . 1 1 86 86 LEU H H 86 7.797 7.797 7.703 0.094 17850 4785 1 6 . 1 1 87 87 LEU N N 87 119.111 119.111 121.052 -1.941 17850 4786 1 6 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.112 -0.008 17850 4787 1 6 . 1 1 87 87 LEU C C 87 179.333 179.333 179.283 0.050 17850 4788 1 6 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.119 0.124 17850 4789 1 6 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.732 0.034 17850 4790 1 6 . 1 1 87 87 LEU H H 87 7.825 7.825 8.683 -0.858 17850 4791 1 6 . 1 1 88 88 GLU N N 88 117.514 117.514 119.161 -1.647 17850 4792 1 6 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.465 -0.364 17850 4793 1 6 . 1 1 88 88 GLU C C 88 179.461 179.461 179.095 0.366 17850 4794 1 6 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.111 -0.095 17850 4795 1 6 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.199 -0.529 17850 4796 1 6 . 1 1 88 88 GLU H H 88 8.265 8.265 8.814 -0.549 17850 4797 1 6 . 1 1 89 89 ALA N N 89 120.734 120.734 124.018 -3.284 17850 4798 1 6 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.567 0.600 17850 4799 1 6 . 1 1 89 89 ALA C C 89 178.362 178.362 178.406 -0.044 17850 4800 1 6 . 1 1 89 89 ALA CA C 89 55.077 55.077 53.719 1.358 17850 4801 1 6 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.459 -1.476 17850 4802 1 6 . 1 1 89 89 ALA H H 89 8.192 8.192 8.551 -0.359 17850 4803 1 6 . 1 1 90 90 PHE N N 90 119.339 119.339 119.590 -0.251 17850 4804 1 6 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.936 -0.737 17850 4805 1 6 . 1 1 90 90 PHE C C 90 177.497 177.497 177.622 -0.125 17850 4806 1 6 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.203 0.983 17850 4807 1 6 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.562 1.258 17850 4808 1 6 . 1 1 90 90 PHE H H 90 8.685 8.685 8.075 0.610 17850 4809 1 6 . 1 1 91 91 LYS N N 91 116.189 116.189 119.331 -3.142 17850 4810 1 6 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.989 -0.041 17850 4811 1 6 . 1 1 91 91 LYS C C 91 178.236 178.236 177.701 0.535 17850 4812 1 6 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.112 0.402 17850 4813 1 6 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.351 0.520 17850 4814 1 6 . 1 1 91 91 LYS H H 91 8.112 8.112 8.318 -0.206 17850 4815 1 6 . 1 1 92 92 VAL N N 92 117.696 117.696 115.876 1.820 17850 4816 1 6 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.890 -0.318 17850 4817 1 6 . 1 1 92 92 VAL C C 92 176.545 176.545 176.666 -0.121 17850 4818 1 6 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.845 0.727 17850 4819 1 6 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.281 -0.855 17850 4820 1 6 . 1 1 92 92 VAL H H 92 7.383 7.383 7.415 -0.032 17850 4821 1 6 . 1 1 93 93 PHE N N 93 114.826 114.826 117.315 -2.489 17850 4822 1 6 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.340 -0.113 17850 4823 1 6 . 1 1 93 93 PHE C C 93 176.417 176.417 175.904 0.513 17850 4824 1 6 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.858 0.742 17850 4825 1 6 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.794 2.402 17850 4826 1 6 . 1 1 93 93 PHE H H 93 7.116 7.116 7.648 -0.532 17850 4827 1 6 . 1 1 94 94 ASP N N 94 116.753 116.753 126.124 -9.371 17850 4828 1 6 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.503 0.028 17850 4829 1 6 . 1 1 94 94 ASP C C 94 177.305 177.305 177.124 0.181 17850 4830 1 6 . 1 1 94 94 ASP CA C 94 52.471 52.471 54.921 -2.450 17850 4831 1 6 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.705 -1.864 17850 4832 1 6 . 1 1 94 94 ASP H H 94 7.849 7.849 8.056 -0.207 17850 4833 1 6 . 1 1 95 95 LYS N N 95 125.185 125.185 119.938 5.247 17850 4834 1 6 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.143 -0.140 17850 4835 1 6 . 1 1 95 95 LYS C C 95 178.261 178.261 177.383 0.878 17850 4836 1 6 . 1 1 95 95 LYS CA C 95 58.077 58.077 57.328 0.749 17850 4837 1 6 . 1 1 95 95 LYS CB C 95 32.190 32.190 34.114 -1.924 17850 4838 1 6 . 1 1 95 95 LYS H H 95 7.755 7.755 8.601 -0.846 17850 4839 1 6 . 1 1 96 96 ASN N N 96 112.542 112.542 119.773 -7.231 17850 4840 1 6 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.393 0.392 17850 4841 1 6 . 1 1 96 96 ASN C C 96 176.469 176.469 174.601 1.868 17850 4842 1 6 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.996 -1.134 17850 4843 1 6 . 1 1 96 96 ASN H H 96 8.069 8.069 8.248 -0.179 17850 4844 1 6 . 1 1 97 97 GLY N N 97 109.956 109.956 109.364 0.592 17850 4845 1 6 . 1 1 97 97 GLY C C 97 175.032 175.032 175.910 -0.878 17850 4846 1 6 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.498 3.210 17850 4847 1 6 . 1 1 97 97 GLY H H 97 7.686 7.686 8.425 -0.739 17850 4848 1 6 . 1 1 98 98 ASP N N 98 119.383 119.383 120.568 -1.185 17850 4849 1 6 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.342 0.211 17850 4850 1 6 . 1 1 98 98 ASP C C 98 177.274 177.274 174.513 2.761 17850 4851 1 6 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.387 -1.053 17850 4852 1 6 . 1 1 98 98 ASP H H 98 8.249 8.249 8.006 0.243 17850 4853 1 6 . 1 1 99 99 GLY N N 99 112.398 112.398 106.377 6.021 17850 4854 1 6 . 1 1 99 99 GLY C C 99 173.128 173.128 173.993 -0.865 17850 4855 1 6 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.843 1.886 17850 4856 1 6 . 1 1 99 99 GLY H H 99 10.390 10.390 8.283 2.107 17850 4857 1 6 . 1 1 100 100 LEU N N 100 120.803 120.803 126.167 -5.364 17850 4858 1 6 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.752 0.513 17850 4859 1 6 . 1 1 100 100 LEU C C 100 176.427 176.427 177.889 -1.462 17850 4860 1 6 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.071 -2.295 17850 4861 1 6 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.276 4.925 17850 4862 1 6 . 1 1 100 100 LEU H H 100 7.987 7.987 9.063 -1.076 17850 4863 1 6 . 1 1 101 101 ILE N N 101 125.286 125.286 129.160 -3.874 17850 4864 1 6 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.537 0.185 17850 4865 1 6 . 1 1 101 101 ILE C C 101 175.432 175.432 177.112 -1.680 17850 4866 1 6 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.975 -0.726 17850 4867 1 6 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.013 0.051 17850 4868 1 6 . 1 1 101 101 ILE H H 101 9.698 9.698 9.150 0.548 17850 4869 1 6 . 1 1 102 102 SER N N 102 123.133 123.133 116.570 6.563 17850 4870 1 6 . 1 1 102 102 SER HA H 102 4.969 4.969 4.091 0.878 17850 4871 1 6 . 1 1 102 102 SER C C 102 175.298 175.298 176.394 -1.096 17850 4872 1 6 . 1 1 102 102 SER CA C 102 55.994 55.994 61.857 -5.863 17850 4873 1 6 . 1 1 102 102 SER CB C 102 66.456 66.456 62.122 4.334 17850 4874 1 6 . 1 1 102 102 SER H H 102 9.095 9.095 8.791 0.304 17850 4875 1 6 . 1 1 103 103 ALA N N 103 122.886 122.886 121.348 1.538 17850 4876 1 6 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.828 0.061 17850 4877 1 6 . 1 1 103 103 ALA C C 103 179.237 179.237 180.078 -0.841 17850 4878 1 6 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.117 0.965 17850 4879 1 6 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.828 0.229 17850 4880 1 6 . 1 1 103 103 ALA H H 103 8.691 8.691 8.547 0.144 17850 4881 1 6 . 1 1 104 104 ALA N N 104 118.317 118.317 119.742 -1.425 17850 4882 1 6 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.547 0.527 17850 4883 1 6 . 1 1 104 104 ALA C C 104 181.451 181.451 179.284 2.167 17850 4884 1 6 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.454 0.831 17850 4885 1 6 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.675 -0.241 17850 4886 1 6 . 1 1 104 104 ALA H H 104 8.392 8.392 8.165 0.227 17850 4887 1 6 . 1 1 105 105 GLU N N 105 120.398 120.398 117.839 2.559 17850 4888 1 6 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.661 -0.601 17850 4889 1 6 . 1 1 105 105 GLU C C 105 179.223 179.223 177.482 1.741 17850 4890 1 6 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.527 -0.064 17850 4891 1 6 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.160 -1.009 17850 4892 1 6 . 1 1 105 105 GLU H H 105 7.879 7.879 8.264 -0.385 17850 4893 1 6 . 1 1 106 106 LEU N N 106 120.023 120.023 120.429 -0.406 17850 4894 1 6 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.888 0.275 17850 4895 1 6 . 1 1 106 106 LEU C C 106 178.503 178.503 178.838 -0.335 17850 4896 1 6 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.567 0.122 17850 4897 1 6 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.035 1.252 17850 4898 1 6 . 1 1 106 106 LEU H H 106 8.479 8.479 8.724 -0.245 17850 4899 1 6 . 1 1 107 107 LYS N N 107 117.064 117.064 119.888 -2.824 17850 4900 1 6 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.902 -0.084 17850 4901 1 6 . 1 1 107 107 LYS C C 107 179.039 179.039 178.640 0.399 17850 4902 1 6 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.171 1.137 17850 4903 1 6 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.143 0.747 17850 4904 1 6 . 1 1 107 107 LYS H H 107 8.758 8.758 8.591 0.167 17850 4905 1 6 . 1 1 108 108 HIS N N 108 119.125 119.125 118.594 0.531 17850 4906 1 6 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.660 0.656 17850 4907 1 6 . 1 1 108 108 HIS C C 108 178.394 178.394 177.115 1.279 17850 4908 1 6 . 1 1 108 108 HIS CA C 108 60.187 60.187 58.876 1.311 17850 4909 1 6 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.917 1.575 17850 4910 1 6 . 1 1 108 108 HIS H H 108 8.287 8.287 7.809 0.478 17850 4911 1 6 . 1 1 109 109 VAL N N 109 119.525 119.525 119.585 -0.060 17850 4912 1 6 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.769 -0.284 17850 4913 1 6 . 1 1 109 109 VAL C C 109 178.246 178.246 177.698 0.548 17850 4914 1 6 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.152 1.558 17850 4915 1 6 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.807 0.765 17850 4916 1 6 . 1 1 109 109 VAL H H 109 7.915 7.915 8.451 -0.536 17850 4917 1 6 . 1 1 110 110 LEU N N 110 117.403 117.403 118.712 -1.309 17850 4918 1 6 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.133 -0.154 17850 4919 1 6 . 1 1 110 110 LEU C C 110 178.968 178.968 177.709 1.259 17850 4920 1 6 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.857 0.361 17850 4921 1 6 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.953 -1.425 17850 4922 1 6 . 1 1 110 110 LEU H H 110 8.269 8.269 8.238 0.031 17850 4923 1 6 . 1 1 111 111 THR N N 111 114.122 114.122 115.046 -0.924 17850 4924 1 6 . 1 1 111 111 THR HA H 111 4.184 4.184 4.095 0.089 17850 4925 1 6 . 1 1 111 111 THR C C 111 178.534 178.534 175.145 3.389 17850 4926 1 6 . 1 1 111 111 THR CA C 111 66.252 66.252 63.773 2.479 17850 4927 1 6 . 1 1 111 111 THR CB C 111 68.851 68.851 68.655 0.196 17850 4928 1 6 . 1 1 111 111 THR H H 111 8.441 8.441 7.529 0.912 17850 4929 1 6 . 1 1 112 112 SER N N 112 119.981 119.981 106.118 13.863 17850 4930 1 6 . 1 1 112 112 SER HA H 112 4.215 4.215 4.764 -0.549 17850 4931 1 6 . 1 1 112 112 SER C C 112 175.523 175.523 174.772 0.751 17850 4932 1 6 . 1 1 112 112 SER CA C 112 62.197 62.197 58.169 4.028 17850 4933 1 6 . 1 1 112 112 SER CB C 112 62.936 62.936 65.480 -2.544 17850 4934 1 6 . 1 1 112 112 SER H H 112 7.910 7.910 7.106 0.804 17850 4935 1 6 . 1 1 113 113 ILE N N 113 112.726 112.726 119.314 -6.588 17850 4936 1 6 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.926 0.558 17850 4937 1 6 . 1 1 113 113 ILE C C 113 175.636 175.636 175.098 0.538 17850 4938 1 6 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.327 -0.572 17850 4939 1 6 . 1 1 113 113 ILE H H 113 7.473 7.473 7.510 -0.037 17850 4940 1 6 . 1 1 114 114 GLY N N 114 108.354 108.354 112.612 -4.258 17850 4941 1 6 . 1 1 114 114 GLY C C 114 174.583 174.583 174.329 0.254 17850 4942 1 6 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.554 0.296 17850 4943 1 6 . 1 1 114 114 GLY H H 114 7.652 7.652 8.139 -0.487 17850 4944 1 6 . 1 1 115 115 GLU N N 115 120.283 120.283 123.788 -3.505 17850 4945 1 6 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.590 -0.285 17850 4946 1 6 . 1 1 115 115 GLU C C 115 175.444 175.444 175.443 0.001 17850 4947 1 6 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.161 -0.029 17850 4948 1 6 . 1 1 115 115 GLU CB C 115 30.250 30.250 29.506 0.744 17850 4949 1 6 . 1 1 115 115 GLU H H 115 8.045 8.045 8.178 -0.133 17850 4950 1 6 . 1 1 116 116 LYS N N 116 124.370 124.370 125.259 -0.889 17850 4951 1 6 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.821 -0.399 17850 4952 1 6 . 1 1 116 116 LYS C C 116 175.287 175.287 177.279 -1.992 17850 4953 1 6 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.242 0.393 17850 4954 1 6 . 1 1 116 116 LYS CB C 116 32.142 32.142 34.976 -2.834 17850 4955 1 6 . 1 1 116 116 LYS H H 116 8.571 8.571 8.200 0.371 17850 4956 1 6 . 1 1 117 117 LEU N N 117 125.492 125.492 120.780 4.712 17850 4957 1 6 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.318 0.466 17850 4958 1 6 . 1 1 117 117 LEU C C 117 177.161 177.161 177.483 -0.322 17850 4959 1 6 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.852 0.381 17850 4960 1 6 . 1 1 117 117 LEU CB C 117 44.998 44.998 44.005 0.993 17850 4961 1 6 . 1 1 117 117 LEU H H 117 8.042 8.042 8.484 -0.442 17850 4962 1 6 . 1 1 118 118 THR N N 118 113.255 113.255 116.926 -3.671 17850 4963 1 6 . 1 1 118 118 THR HA H 118 4.497 4.497 4.011 0.486 17850 4964 1 6 . 1 1 118 118 THR C C 118 175.335 175.335 176.538 -1.203 17850 4965 1 6 . 1 1 118 118 THR CA C 118 60.434 60.434 65.991 -5.557 17850 4966 1 6 . 1 1 118 118 THR CB C 118 71.193 71.193 68.573 2.620 17850 4967 1 6 . 1 1 118 118 THR H H 118 8.995 8.995 8.704 0.291 17850 4968 1 6 . 1 1 119 119 ASP N N 119 120.837 120.837 116.607 4.230 17850 4969 1 6 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.556 -0.324 17850 4970 1 6 . 1 1 119 119 ASP C C 119 178.422 178.422 177.924 0.498 17850 4971 1 6 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.093 2.004 17850 4972 1 6 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.396 -0.421 17850 4973 1 6 . 1 1 119 119 ASP H H 119 8.743 8.743 8.364 0.379 17850 4974 1 6 . 1 1 120 120 ALA N N 120 121.309 121.309 121.865 -0.556 17850 4975 1 6 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.066 0.100 17850 4976 1 6 . 1 1 120 120 ALA C C 120 179.796 179.796 179.934 -0.138 17850 4977 1 6 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.691 0.337 17850 4978 1 6 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.265 -0.945 17850 4979 1 6 . 1 1 120 120 ALA H H 120 8.304 8.304 7.370 0.934 17850 4980 1 6 . 1 1 121 121 GLU N N 121 118.068 118.068 120.895 -2.827 17850 4981 1 6 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.931 0.126 17850 4982 1 6 . 1 1 121 121 GLU C C 121 180.035 180.035 177.649 2.386 17850 4983 1 6 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.702 -1.464 17850 4984 1 6 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.912 0.517 17850 4985 1 6 . 1 1 121 121 GLU H H 121 7.705 7.705 8.749 -1.044 17850 4986 1 6 . 1 1 122 122 VAL N N 122 120.636 120.636 117.249 3.387 17850 4987 1 6 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.827 -0.290 17850 4988 1 6 . 1 1 122 122 VAL C C 122 177.120 177.120 177.378 -0.258 17850 4989 1 6 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.602 1.440 17850 4990 1 6 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.774 -0.382 17850 4991 1 6 . 1 1 122 122 VAL H H 122 7.935 7.935 7.993 -0.058 17850 4992 1 6 . 1 1 123 123 ASP N N 123 120.336 120.336 118.713 1.623 17850 4993 1 6 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.555 -0.252 17850 4994 1 6 . 1 1 123 123 ASP C C 123 179.023 179.023 177.944 1.079 17850 4995 1 6 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.008 1.935 17850 4996 1 6 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.339 -0.667 17850 4997 1 6 . 1 1 123 123 ASP H H 123 8.204 8.204 7.654 0.550 17850 4998 1 6 . 1 1 124 124 ASP N N 124 118.890 118.890 120.590 -1.700 17850 4999 1 6 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.340 -0.000 17850 5000 1 6 . 1 1 124 124 ASP C C 124 178.527 178.527 178.677 -0.150 17850 5001 1 6 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.405 0.118 17850 5002 1 6 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.902 -0.082 17850 5003 1 6 . 1 1 124 124 ASP H H 124 8.272 8.272 7.791 0.481 17850 5004 1 6 . 1 1 125 125 MET N N 125 119.365 119.365 118.179 1.186 17850 5005 1 6 . 1 1 125 125 MET HA H 125 4.091 4.091 4.074 0.017 17850 5006 1 6 . 1 1 125 125 MET C C 125 178.021 178.021 177.863 0.158 17850 5007 1 6 . 1 1 125 125 MET CA C 125 59.205 59.205 58.341 0.864 17850 5008 1 6 . 1 1 125 125 MET CB C 125 33.281 33.281 31.729 1.552 17850 5009 1 6 . 1 1 125 125 MET H H 125 7.750 7.750 8.907 -1.157 17850 5010 1 6 . 1 1 126 126 LEU N N 126 117.193 117.193 117.865 -0.672 17850 5011 1 6 . 1 1 126 126 LEU HA H 126 3.924 3.924 4.034 -0.110 17850 5012 1 6 . 1 1 126 126 LEU C C 126 180.267 180.267 179.585 0.682 17850 5013 1 6 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.545 0.257 17850 5014 1 6 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.303 0.311 17850 5015 1 6 . 1 1 126 126 LEU H H 126 8.152 8.152 7.712 0.440 17850 5016 1 6 . 1 1 127 127 ARG N N 127 120.792 120.792 118.500 2.292 17850 5017 1 6 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.100 -0.059 17850 5018 1 6 . 1 1 127 127 ARG C C 127 178.027 178.027 177.816 0.211 17850 5019 1 6 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.554 0.727 17850 5020 1 6 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.492 -0.493 17850 5021 1 6 . 1 1 127 127 ARG H H 127 8.335 8.335 7.631 0.704 17850 5022 1 6 . 1 1 128 128 GLU N N 128 117.142 117.142 111.522 5.620 17850 5023 1 6 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.646 -0.540 17850 5024 1 6 . 1 1 128 128 GLU C C 128 178.618 178.618 175.756 2.862 17850 5025 1 6 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.436 3.769 17850 5026 1 6 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.641 -0.247 17850 5027 1 6 . 1 1 128 128 GLU H H 128 7.667 7.667 8.217 -0.550 17850 5028 1 6 . 1 1 129 129 VAL N N 129 108.345 108.345 118.214 -9.869 17850 5029 1 6 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.172 0.315 17850 5030 1 6 . 1 1 129 129 VAL C C 129 175.591 175.591 176.505 -0.914 17850 5031 1 6 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.177 -0.514 17850 5032 1 6 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.878 0.131 17850 5033 1 6 . 1 1 129 129 VAL H H 129 7.470 7.470 7.824 -0.354 17850 5034 1 6 . 1 1 130 130 SER N N 130 115.012 115.012 118.005 -2.993 17850 5035 1 6 . 1 1 130 130 SER HA H 130 4.670 4.670 4.131 0.539 17850 5036 1 6 . 1 1 130 130 SER C C 130 174.414 174.414 174.342 0.072 17850 5037 1 6 . 1 1 130 130 SER CA C 130 58.067 58.067 59.504 -1.437 17850 5038 1 6 . 1 1 130 130 SER CB C 130 65.814 65.814 61.812 4.002 17850 5039 1 6 . 1 1 130 130 SER H H 130 7.858 7.858 7.899 -0.041 17850 5040 1 6 . 1 1 131 131 ASP N N 131 120.972 120.972 115.560 5.412 17850 5041 1 6 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.228 0.338 17850 5042 1 6 . 1 1 131 131 ASP C C 131 176.676 176.676 175.520 1.156 17850 5043 1 6 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.828 -0.045 17850 5044 1 6 . 1 1 131 131 ASP H H 131 8.478 8.478 8.337 0.141 17850 5045 1 6 . 1 1 132 132 GLY N N 132 105.512 105.512 108.620 -3.108 17850 5046 1 6 . 1 1 132 132 GLY C C 132 174.924 174.924 175.767 -0.843 17850 5047 1 6 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.016 -0.346 17850 5048 1 6 . 1 1 132 132 GLY H H 132 8.352 8.352 7.779 0.573 17850 5049 1 6 . 1 1 133 133 SER N N 133 116.718 116.718 113.462 3.256 17850 5050 1 6 . 1 1 133 133 SER HA H 133 4.435 4.435 4.408 0.027 17850 5051 1 6 . 1 1 133 133 SER C C 133 175.404 175.404 172.550 2.854 17850 5052 1 6 . 1 1 133 133 SER CA C 133 59.340 59.340 58.203 1.137 17850 5053 1 6 . 1 1 133 133 SER H H 133 8.104 8.104 8.522 -0.418 17850 5054 1 6 . 1 1 134 134 GLY N N 134 109.601 109.601 108.153 1.448 17850 5055 1 6 . 1 1 134 134 GLY C C 134 172.547 172.547 173.029 -0.482 17850 5056 1 6 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.071 2.752 17850 5057 1 6 . 1 1 134 134 GLY H H 134 8.555 8.555 7.438 1.117 17850 5058 1 6 . 1 1 135 135 GLU N N 135 117.166 117.166 116.569 0.597 17850 5059 1 6 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.911 0.116 17850 5060 1 6 . 1 1 135 135 GLU C C 135 175.280 175.280 174.973 0.307 17850 5061 1 6 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.735 -0.000 17850 5062 1 6 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.959 0.915 17850 5063 1 6 . 1 1 135 135 GLU H H 135 7.641 7.641 8.250 -0.609 17850 5064 1 6 . 1 1 136 136 ILE N N 136 114.256 114.256 126.294 -12.038 17850 5065 1 6 . 1 1 136 136 ILE HA H 136 5.076 5.076 5.014 0.062 17850 5066 1 6 . 1 1 136 136 ILE C C 136 175.228 175.228 177.064 -1.836 17850 5067 1 6 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.464 -0.066 17850 5068 1 6 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.303 2.349 17850 5069 1 6 . 1 1 136 136 ILE H H 136 8.565 8.565 8.424 0.141 17850 5070 1 6 . 1 1 137 137 ASN N N 137 121.842 121.842 118.428 3.414 17850 5071 1 6 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.471 1.794 17850 5072 1 6 . 1 1 137 137 ASN C C 137 176.835 176.835 176.349 0.486 17850 5073 1 6 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.670 -3.643 17850 5074 1 6 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.740 1.973 17850 5075 1 6 . 1 1 137 137 ASN H H 137 8.767 8.767 8.523 0.244 17850 5076 1 6 . 1 1 138 138 ILE N N 138 118.075 118.075 118.453 -0.378 17850 5077 1 6 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.847 -0.095 17850 5078 1 6 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.328 0.444 17850 5079 1 6 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.765 0.788 17850 5080 1 6 . 1 1 138 138 ILE H H 138 8.418 8.418 8.400 0.018 17850 5081 1 6 . 1 1 139 139 GLN N N 139 122.926 122.926 119.721 3.205 17850 5082 1 6 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.041 0.085 17850 5083 1 6 . 1 1 139 139 GLN C C 139 179.886 179.886 178.869 1.017 17850 5084 1 6 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.802 0.784 17850 5085 1 6 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.452 -0.667 17850 5086 1 6 . 1 1 139 139 GLN H H 139 7.632 7.632 8.001 -0.369 17850 5087 1 6 . 1 1 140 140 GLN N N 140 121.813 121.813 120.564 1.249 17850 5088 1 6 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.805 0.356 17850 5089 1 6 . 1 1 140 140 GLN C C 140 178.284 178.284 176.963 1.321 17850 5090 1 6 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.539 -0.323 17850 5091 1 6 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.376 0.062 17850 5092 1 6 . 1 1 140 140 GLN H H 140 8.416 8.416 8.875 -0.459 17850 5093 1 6 . 1 1 141 141 PHE N N 141 121.732 121.732 117.835 3.897 17850 5094 1 6 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.659 0.493 17850 5095 1 6 . 1 1 141 141 PHE C C 141 176.273 176.273 176.689 -0.416 17850 5096 1 6 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.355 0.605 17850 5097 1 6 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.050 2.011 17850 5098 1 6 . 1 1 141 141 PHE H H 141 9.030 9.030 7.789 1.241 17850 5099 1 6 . 1 1 142 142 ALA N N 142 119.852 119.852 121.144 -1.292 17850 5100 1 6 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.936 -0.133 17850 5101 1 6 . 1 1 142 142 ALA C C 142 180.733 180.733 180.157 0.576 17850 5102 1 6 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.611 0.599 17850 5103 1 6 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.090 -0.188 17850 5104 1 6 . 1 1 142 142 ALA H H 142 8.399 8.399 8.045 0.354 17850 5105 1 6 . 1 1 143 143 ALA N N 143 120.555 120.555 120.776 -0.221 17850 5106 1 6 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.861 0.253 17850 5107 1 6 . 1 1 143 143 ALA C C 143 180.455 180.455 179.613 0.842 17850 5108 1 6 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.223 -0.210 17850 5109 1 6 . 1 1 143 143 ALA CB C 143 17.849 17.849 18.962 -1.113 17850 5110 1 6 . 1 1 143 143 ALA H H 143 7.627 7.627 7.353 0.274 17850 5111 1 6 . 1 1 144 144 LEU N N 144 121.054 121.054 113.202 7.852 17850 5112 1 6 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.025 -0.092 17850 5113 1 6 . 1 1 144 144 LEU C C 144 177.756 177.756 176.884 0.872 17850 5114 1 6 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.712 1.984 17850 5115 1 6 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.402 0.436 17850 5116 1 6 . 1 1 144 144 LEU H H 144 8.029 8.029 7.247 0.782 17850 5117 1 6 . 1 1 145 145 LEU N N 145 115.288 115.288 117.398 -2.110 17850 5118 1 6 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.374 -0.401 17850 5119 1 6 . 1 1 145 145 LEU C C 145 177.284 177.284 175.465 1.819 17850 5120 1 6 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.004 1.280 17850 5121 1 6 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.040 -0.430 17850 5122 1 6 . 1 1 145 145 LEU H H 145 7.309 7.309 7.551 -0.242 17850 5123 1 6 . 1 1 146 146 SER N N 146 114.503 114.503 118.552 -4.049 17850 5124 1 6 . 1 1 146 146 SER HA H 146 4.346 4.346 4.679 -0.333 17850 5125 1 6 . 1 1 146 146 SER C C 146 175.125 175.125 173.341 1.784 17850 5126 1 6 . 1 1 146 146 SER CA C 146 59.046 59.046 56.767 2.279 17850 5127 1 6 . 1 1 146 146 SER CB C 146 64.181 64.181 62.664 1.517 17850 5128 1 6 . 1 1 146 146 SER H H 146 7.506 7.506 7.469 0.037 17850 5129 1 6 . 1 1 147 147 LYS N N 147 123.315 123.315 122.300 1.015 17850 5130 1 6 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.572 -0.405 17850 5131 1 6 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.293 1.389 17850 5132 1 6 . 1 1 147 147 LYS H H 147 8.329 8.329 8.128 0.201 17850 5133 1 6 . 1 1 148 148 GLY N N 148 108.566 108.566 108.918 -0.352 17850 5134 1 6 . 1 1 148 148 GLY C C 148 174.394 174.394 174.670 -0.276 17850 5135 1 6 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.364 0.164 17850 5136 1 6 . 1 1 148 148 GLY H H 148 8.353 8.353 7.993 0.360 17850 5137 1 6 . 1 1 149 149 SER N N 149 115.356 115.356 118.289 -2.933 17850 5138 1 6 . 1 1 149 149 SER HA H 149 4.484 4.484 4.826 -0.342 17850 5139 1 6 . 1 1 149 149 SER C C 149 175.038 175.038 174.041 0.997 17850 5140 1 6 . 1 1 149 149 SER CA C 149 58.418 58.418 57.773 0.645 17850 5141 1 6 . 1 1 149 149 SER CB C 149 64.171 64.171 64.004 0.166 17850 5142 1 6 . 1 1 149 149 SER H H 149 7.993 7.993 8.293 -0.300 17850 5143 1 6 . 1 1 150 150 SER N N 150 118.028 118.028 115.557 2.471 17850 5144 1 6 . 1 1 150 150 SER HA H 150 4.490 4.490 4.540 -0.050 17850 5145 1 6 . 1 1 150 150 SER C C 150 175.034 175.034 174.353 0.681 17850 5146 1 6 . 1 1 150 150 SER CA C 150 59.029 59.029 57.405 1.624 17850 5147 1 6 . 1 1 150 150 SER CB C 150 63.407 63.407 64.901 -1.494 17850 5148 1 6 . 1 1 150 150 SER H H 150 8.530 8.530 8.120 0.410 17850 5149 1 7 . 1 1 1 1 GLY N N 1 109.911 109.911 111.615 -1.704 17850 5150 1 7 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.303 1.133 17850 5151 1 7 . 1 1 1 1 GLY H H 1 8.410 8.410 8.160 0.250 17850 5152 1 7 . 1 1 2 2 SER N N 2 115.579 115.579 119.596 -4.017 17850 5153 1 7 . 1 1 2 2 SER HA H 2 4.474 4.474 4.645 -0.171 17850 5154 1 7 . 1 1 2 2 SER C C 2 174.661 174.661 173.696 0.965 17850 5155 1 7 . 1 1 2 2 SER CA C 2 58.374 58.374 57.817 0.557 17850 5156 1 7 . 1 1 2 2 SER CB C 2 63.986 63.986 65.325 -1.339 17850 5157 1 7 . 1 1 2 2 SER H H 2 8.207 8.207 8.398 -0.191 17850 5158 1 7 . 1 1 3 3 SER N N 3 117.154 117.154 117.882 -0.728 17850 5159 1 7 . 1 1 3 3 SER HA H 3 4.439 4.439 4.766 -0.327 17850 5160 1 7 . 1 1 3 3 SER C C 3 174.122 174.122 172.777 1.345 17850 5161 1 7 . 1 1 3 3 SER CA C 3 58.695 58.695 58.660 0.035 17850 5162 1 7 . 1 1 3 3 SER CB C 3 63.865 63.865 63.762 0.103 17850 5163 1 7 . 1 1 3 3 SER H H 3 8.337 8.337 8.562 -0.225 17850 5164 1 7 . 1 1 4 4 ASN N N 4 120.145 120.145 117.962 2.183 17850 5165 1 7 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.512 -0.786 17850 5166 1 7 . 1 1 4 4 ASN C C 4 174.741 174.741 175.565 -0.824 17850 5167 1 7 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.707 1.619 17850 5168 1 7 . 1 1 4 4 ASN CB C 4 38.802 38.802 41.361 -2.559 17850 5169 1 7 . 1 1 4 4 ASN H H 4 8.432 8.432 7.846 0.586 17850 5170 1 7 . 1 1 5 5 LEU N N 5 121.341 121.341 119.694 1.647 17850 5171 1 7 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.511 0.168 17850 5172 1 7 . 1 1 5 5 LEU C C 5 177.641 177.641 177.845 -0.204 17850 5173 1 7 . 1 1 5 5 LEU CA C 5 54.465 54.465 53.392 1.073 17850 5174 1 7 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.587 -0.874 17850 5175 1 7 . 1 1 5 5 LEU H H 5 7.966 7.966 9.140 -1.174 17850 5176 1 7 . 1 1 6 6 THR N N 6 113.168 113.168 116.171 -3.003 17850 5177 1 7 . 1 1 6 6 THR HA H 6 4.470 4.470 4.006 0.464 17850 5178 1 7 . 1 1 6 6 THR C C 6 175.390 175.390 176.688 -1.298 17850 5179 1 7 . 1 1 6 6 THR CA C 6 60.543 60.543 65.318 -4.775 17850 5180 1 7 . 1 1 6 6 THR CB C 6 71.190 71.190 68.266 2.924 17850 5181 1 7 . 1 1 6 6 THR H H 6 8.716 8.716 8.882 -0.166 17850 5182 1 7 . 1 1 7 7 GLU N N 7 120.480 120.480 118.891 1.589 17850 5183 1 7 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.103 -0.118 17850 5184 1 7 . 1 1 7 7 GLU C C 7 179.475 179.475 177.755 1.720 17850 5185 1 7 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.491 1.582 17850 5186 1 7 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.501 -0.208 17850 5187 1 7 . 1 1 7 7 GLU H H 7 8.997 8.997 7.858 1.139 17850 5188 1 7 . 1 1 8 8 GLU N N 8 119.766 119.766 116.731 3.035 17850 5189 1 7 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.523 -0.436 17850 5190 1 7 . 1 1 8 8 GLU C C 8 178.641 178.641 179.423 -0.782 17850 5191 1 7 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.435 1.400 17850 5192 1 7 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.365 -0.967 17850 5193 1 7 . 1 1 8 8 GLU H H 8 8.603 8.603 8.103 0.500 17850 5194 1 7 . 1 1 9 9 GLN N N 9 119.234 119.234 119.885 -0.651 17850 5195 1 7 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.324 -0.395 17850 5196 1 7 . 1 1 9 9 GLN C C 9 178.969 178.969 178.027 0.942 17850 5197 1 7 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.545 2.173 17850 5198 1 7 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.589 2.993 17850 5199 1 7 . 1 1 9 9 GLN H H 9 7.730 7.730 8.476 -0.746 17850 5200 1 7 . 1 1 10 10 ILE N N 10 119.661 119.661 118.557 1.104 17850 5201 1 7 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.020 -0.257 17850 5202 1 7 . 1 1 10 10 ILE C C 10 178.040 178.040 177.744 0.296 17850 5203 1 7 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.883 2.338 17850 5204 1 7 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.216 0.736 17850 5205 1 7 . 1 1 10 10 ILE H H 10 8.398 8.398 8.015 0.383 17850 5206 1 7 . 1 1 11 11 ALA N N 11 121.678 121.678 122.846 -1.168 17850 5207 1 7 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.004 0.129 17850 5208 1 7 . 1 1 11 11 ALA C C 11 181.140 181.140 180.110 1.030 17850 5209 1 7 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.351 1.103 17850 5210 1 7 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.728 -0.816 17850 5211 1 7 . 1 1 11 11 ALA H H 11 8.037 8.037 7.840 0.197 17850 5212 1 7 . 1 1 12 12 GLU N N 12 118.175 118.175 118.723 -0.548 17850 5213 1 7 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.308 -0.190 17850 5214 1 7 . 1 1 12 12 GLU C C 12 180.185 180.185 178.783 1.402 17850 5215 1 7 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.316 -0.121 17850 5216 1 7 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.855 0.524 17850 5217 1 7 . 1 1 12 12 GLU H H 12 7.869 7.869 7.557 0.312 17850 5218 1 7 . 1 1 13 13 PHE N N 13 119.011 119.011 119.504 -0.493 17850 5219 1 7 . 1 1 13 13 PHE HA H 13 4.890 4.890 3.822 1.068 17850 5220 1 7 . 1 1 13 13 PHE C C 13 178.486 178.486 178.333 0.153 17850 5221 1 7 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.509 -1.060 17850 5222 1 7 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.294 0.605 17850 5223 1 7 . 1 1 13 13 PHE H H 13 8.429 8.429 7.764 0.665 17850 5224 1 7 . 1 1 14 14 LYS N N 14 123.459 123.459 118.437 5.022 17850 5225 1 7 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.106 -0.074 17850 5226 1 7 . 1 1 14 14 LYS C C 14 179.131 179.131 179.103 0.028 17850 5227 1 7 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.989 1.501 17850 5228 1 7 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.237 -0.324 17850 5229 1 7 . 1 1 14 14 LYS H H 14 8.925 8.925 8.011 0.914 17850 5230 1 7 . 1 1 15 15 GLU N N 15 119.581 119.581 119.580 0.001 17850 5231 1 7 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.203 -0.035 17850 5232 1 7 . 1 1 15 15 GLU C C 15 179.163 179.163 177.960 1.203 17850 5233 1 7 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.116 0.269 17850 5234 1 7 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.211 0.176 17850 5235 1 7 . 1 1 15 15 GLU H H 15 8.064 8.064 8.011 0.053 17850 5236 1 7 . 1 1 16 16 ALA N N 16 120.993 120.993 120.749 0.244 17850 5237 1 7 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.462 0.780 17850 5238 1 7 . 1 1 16 16 ALA C C 16 177.628 177.628 178.178 -0.550 17850 5239 1 7 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.971 2.213 17850 5240 1 7 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.384 -1.460 17850 5241 1 7 . 1 1 16 16 ALA H H 16 7.801 7.801 7.957 -0.156 17850 5242 1 7 . 1 1 17 17 PHE N N 17 118.745 118.745 119.449 -0.704 17850 5243 1 7 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.254 -0.900 17850 5244 1 7 . 1 1 17 17 PHE C C 17 177.500 177.500 176.819 0.681 17850 5245 1 7 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.886 1.814 17850 5246 1 7 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.029 1.949 17850 5247 1 7 . 1 1 17 17 PHE H H 17 8.469 8.469 8.273 0.196 17850 5248 1 7 . 1 1 18 18 ALA N N 18 119.942 119.942 118.265 1.677 17850 5249 1 7 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.777 0.233 17850 5250 1 7 . 1 1 18 18 ALA C C 18 178.535 178.535 178.315 0.220 17850 5251 1 7 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.119 0.297 17850 5252 1 7 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.416 0.071 17850 5253 1 7 . 1 1 18 18 ALA H H 18 8.187 8.187 7.103 1.084 17850 5254 1 7 . 1 1 19 19 LEU N N 19 116.851 116.851 115.083 1.768 17850 5255 1 7 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.262 -0.302 17850 5256 1 7 . 1 1 19 19 LEU C C 19 176.795 176.795 177.252 -0.457 17850 5257 1 7 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.887 2.548 17850 5258 1 7 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.157 -1.475 17850 5259 1 7 . 1 1 19 19 LEU H H 19 7.254 7.254 7.165 0.089 17850 5260 1 7 . 1 1 20 20 PHE N N 20 111.977 111.977 120.678 -8.701 17850 5261 1 7 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.204 0.055 17850 5262 1 7 . 1 1 20 20 PHE C C 20 177.033 177.033 176.691 0.342 17850 5263 1 7 . 1 1 20 20 PHE CA C 20 58.656 58.656 58.810 -0.154 17850 5264 1 7 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.521 4.643 17850 5265 1 7 . 1 1 20 20 PHE H H 20 7.041 7.041 8.009 -0.968 17850 5266 1 7 . 1 1 21 21 ASP N N 21 116.981 116.981 124.090 -7.109 17850 5267 1 7 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.310 0.275 17850 5268 1 7 . 1 1 21 21 ASP C C 21 177.297 177.297 177.390 -0.093 17850 5269 1 7 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.557 -3.886 17850 5270 1 7 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.568 -1.566 17850 5271 1 7 . 1 1 21 21 ASP H H 21 7.567 7.567 8.487 -0.920 17850 5272 1 7 . 1 1 22 22 LYS N N 22 124.748 124.748 115.608 9.140 17850 5273 1 7 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.191 -0.199 17850 5274 1 7 . 1 1 22 22 LYS C C 22 177.866 177.866 176.172 1.694 17850 5275 1 7 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.594 1.639 17850 5276 1 7 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.666 -0.039 17850 5277 1 7 . 1 1 22 22 LYS H H 22 7.820 7.820 8.138 -0.318 17850 5278 1 7 . 1 1 23 23 ASP N N 23 114.211 114.211 117.167 -2.956 17850 5279 1 7 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.514 0.089 17850 5280 1 7 . 1 1 23 23 ASP C C 23 176.266 176.266 175.315 0.951 17850 5281 1 7 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.797 -2.150 17850 5282 1 7 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.212 0.071 17850 5283 1 7 . 1 1 23 23 ASP H H 23 8.025 8.025 8.530 -0.505 17850 5284 1 7 . 1 1 24 24 ASN N N 24 115.587 115.587 117.733 -2.146 17850 5285 1 7 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.757 -0.368 17850 5286 1 7 . 1 1 24 24 ASN C C 24 174.828 174.828 176.332 -1.504 17850 5287 1 7 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.704 1.803 17850 5288 1 7 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.638 -0.607 17850 5289 1 7 . 1 1 24 24 ASN H H 24 7.962 7.962 8.448 -0.486 17850 5290 1 7 . 1 1 25 25 ASN N N 25 117.385 117.385 117.785 -0.400 17850 5291 1 7 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.574 0.274 17850 5292 1 7 . 1 1 25 25 ASN C C 25 177.553 177.553 174.328 3.225 17850 5293 1 7 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.090 -0.775 17850 5294 1 7 . 1 1 25 25 ASN H H 25 8.489 8.489 7.992 0.497 17850 5295 1 7 . 1 1 26 26 GLY N N 26 113.934 113.934 107.022 6.912 17850 5296 1 7 . 1 1 26 26 GLY C C 26 173.371 173.371 173.495 -0.124 17850 5297 1 7 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.141 0.397 17850 5298 1 7 . 1 1 26 26 GLY H H 26 10.580 10.580 8.330 2.250 17850 5299 1 7 . 1 1 27 27 SER N N 27 113.842 113.842 121.799 -7.957 17850 5300 1 7 . 1 1 27 27 SER HA H 27 5.358 5.358 4.708 0.650 17850 5301 1 7 . 1 1 27 27 SER C C 27 172.645 172.645 175.031 -2.386 17850 5302 1 7 . 1 1 27 27 SER CA C 27 57.474 57.474 57.509 -0.035 17850 5303 1 7 . 1 1 27 27 SER CB C 27 66.576 66.576 63.381 3.195 17850 5304 1 7 . 1 1 27 27 SER H H 27 7.793 7.793 9.108 -1.315 17850 5305 1 7 . 1 1 28 28 ILE N N 28 127.597 127.597 128.090 -0.493 17850 5306 1 7 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.309 0.516 17850 5307 1 7 . 1 1 28 28 ILE C C 28 175.890 175.890 177.537 -1.647 17850 5308 1 7 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.234 -0.058 17850 5309 1 7 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.824 -0.730 17850 5310 1 7 . 1 1 28 28 ILE H H 28 9.787 9.787 8.595 1.192 17850 5311 1 7 . 1 1 29 29 SER N N 29 124.860 124.860 118.513 6.347 17850 5312 1 7 . 1 1 29 29 SER HA H 29 4.813 4.813 4.101 0.712 17850 5313 1 7 . 1 1 29 29 SER C C 29 175.477 175.477 176.531 -1.054 17850 5314 1 7 . 1 1 29 29 SER CA C 29 56.583 56.583 61.057 -4.474 17850 5315 1 7 . 1 1 29 29 SER CB C 29 66.269 66.269 62.446 3.823 17850 5316 1 7 . 1 1 29 29 SER H H 29 9.320 9.320 8.350 0.970 17850 5317 1 7 . 1 1 30 30 SER N N 30 117.383 117.383 116.633 0.750 17850 5318 1 7 . 1 1 30 30 SER HA H 30 4.141 4.141 4.357 -0.216 17850 5319 1 7 . 1 1 30 30 SER C C 30 176.531 176.531 175.185 1.346 17850 5320 1 7 . 1 1 30 30 SER CA C 30 62.690 62.690 60.492 2.198 17850 5321 1 7 . 1 1 30 30 SER CB C 30 62.264 62.264 63.138 -0.874 17850 5322 1 7 . 1 1 30 30 SER H H 30 9.554 9.554 8.291 1.263 17850 5323 1 7 . 1 1 31 31 SER N N 31 116.232 116.232 116.911 -0.679 17850 5324 1 7 . 1 1 31 31 SER HA H 31 4.309 4.309 4.274 0.035 17850 5325 1 7 . 1 1 31 31 SER C C 31 178.017 178.017 176.642 1.375 17850 5326 1 7 . 1 1 31 31 SER CA C 31 61.332 61.332 60.089 1.243 17850 5327 1 7 . 1 1 31 31 SER CB C 31 62.512 62.512 63.663 -1.151 17850 5328 1 7 . 1 1 31 31 SER H H 31 8.141 8.141 7.984 0.157 17850 5329 1 7 . 1 1 32 32 GLU N N 32 125.663 125.663 119.524 6.139 17850 5330 1 7 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.106 -0.053 17850 5331 1 7 . 1 1 32 32 GLU C C 32 179.222 179.222 177.680 1.542 17850 5332 1 7 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.720 -0.021 17850 5333 1 7 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.705 -0.453 17850 5334 1 7 . 1 1 32 32 GLU H H 32 7.947 7.947 8.698 -0.751 17850 5335 1 7 . 1 1 33 33 LEU N N 33 120.624 120.624 117.216 3.408 17850 5336 1 7 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.050 0.118 17850 5337 1 7 . 1 1 33 33 LEU C C 33 178.493 178.493 178.815 -0.322 17850 5338 1 7 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.318 1.589 17850 5339 1 7 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.065 1.252 17850 5340 1 7 . 1 1 33 33 LEU H H 33 8.424 8.424 7.654 0.770 17850 5341 1 7 . 1 1 34 34 ALA N N 34 119.635 119.635 120.651 -1.016 17850 5342 1 7 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.056 -0.232 17850 5343 1 7 . 1 1 34 34 ALA C C 34 179.360 179.360 178.951 0.409 17850 5344 1 7 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.130 -0.534 17850 5345 1 7 . 1 1 34 34 ALA CB C 34 18.677 18.677 19.029 -0.352 17850 5346 1 7 . 1 1 34 34 ALA H H 34 8.410 8.410 8.018 0.392 17850 5347 1 7 . 1 1 35 35 THR N N 35 114.602 114.602 116.734 -2.132 17850 5348 1 7 . 1 1 35 35 THR HA H 35 3.886 3.886 3.990 -0.104 17850 5349 1 7 . 1 1 35 35 THR C C 35 177.278 177.278 175.806 1.472 17850 5350 1 7 . 1 1 35 35 THR CA C 35 67.317 67.317 65.594 1.723 17850 5351 1 7 . 1 1 35 35 THR CB C 35 68.774 68.774 69.276 -0.502 17850 5352 1 7 . 1 1 35 35 THR H H 35 8.263 8.263 7.826 0.437 17850 5353 1 7 . 1 1 36 36 VAL N N 36 122.295 122.295 118.611 3.684 17850 5354 1 7 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.505 0.100 17850 5355 1 7 . 1 1 36 36 VAL C C 36 178.653 178.653 178.146 0.507 17850 5356 1 7 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.925 -0.187 17850 5357 1 7 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.058 0.245 17850 5358 1 7 . 1 1 36 36 VAL H H 36 7.790 7.790 7.806 -0.016 17850 5359 1 7 . 1 1 37 37 MET N N 37 117.677 117.677 116.959 0.718 17850 5360 1 7 . 1 1 37 37 MET HA H 37 3.642 3.642 4.392 -0.750 17850 5361 1 7 . 1 1 37 37 MET C C 37 178.172 178.172 179.400 -1.228 17850 5362 1 7 . 1 1 37 37 MET CA C 37 60.506 60.506 58.163 2.343 17850 5363 1 7 . 1 1 37 37 MET CB C 37 32.347 32.347 31.632 0.715 17850 5364 1 7 . 1 1 37 37 MET H H 37 8.081 8.081 7.922 0.159 17850 5365 1 7 . 1 1 38 38 ARG N N 38 118.309 118.309 120.777 -2.468 17850 5366 1 7 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.043 0.645 17850 5367 1 7 . 1 1 38 38 ARG C C 38 181.486 181.486 177.270 4.216 17850 5368 1 7 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.737 0.364 17850 5369 1 7 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.825 0.187 17850 5370 1 7 . 1 1 38 38 ARG H H 38 8.547 8.547 7.576 0.971 17850 5371 1 7 . 1 1 39 39 SER N N 39 119.250 119.250 110.053 9.197 17850 5372 1 7 . 1 1 39 39 SER HA H 39 4.301 4.301 4.225 0.076 17850 5373 1 7 . 1 1 39 39 SER C C 39 174.899 174.899 174.722 0.177 17850 5374 1 7 . 1 1 39 39 SER CA C 39 61.925 61.925 59.007 2.918 17850 5375 1 7 . 1 1 39 39 SER CB C 39 62.773 62.773 63.606 -0.833 17850 5376 1 7 . 1 1 39 39 SER H H 39 8.226 8.226 7.903 0.323 17850 5377 1 7 . 1 1 40 40 LEU N N 40 119.516 119.516 117.158 2.358 17850 5378 1 7 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.042 0.228 17850 5379 1 7 . 1 1 40 40 LEU C C 40 176.681 176.681 176.535 0.146 17850 5380 1 7 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.345 0.238 17850 5381 1 7 . 1 1 40 40 LEU H H 40 7.343 7.343 7.565 -0.222 17850 5382 1 7 . 1 1 41 41 GLY N N 41 105.983 105.983 107.352 -1.369 17850 5383 1 7 . 1 1 41 41 GLY C C 41 174.471 174.471 175.078 -0.607 17850 5384 1 7 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.897 0.342 17850 5385 1 7 . 1 1 41 41 GLY H H 41 7.858 7.858 8.098 -0.240 17850 5386 1 7 . 1 1 42 42 LEU N N 42 120.442 120.442 119.543 0.899 17850 5387 1 7 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.537 -0.066 17850 5388 1 7 . 1 1 42 42 LEU C C 42 175.965 175.965 174.372 1.593 17850 5389 1 7 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.819 1.426 17850 5390 1 7 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.196 0.335 17850 5391 1 7 . 1 1 42 42 LEU H H 42 7.707 7.707 8.407 -0.700 17850 5392 1 7 . 1 1 43 43 SER HA H 43 4.798 4.798 4.577 0.221 17850 5393 1 7 . 1 1 43 43 SER CA C 43 54.912 54.912 57.359 -2.447 17850 5394 1 7 . 1 1 43 43 SER CB C 43 63.197 63.197 63.253 -0.056 17850 5395 1 7 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.507 0.285 17850 5396 1 7 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.370 -0.489 17850 5397 1 7 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.585 -1.385 17850 5398 1 7 . 1 1 45 45 SER N N 45 119.898 119.898 122.306 -2.408 17850 5399 1 7 . 1 1 45 45 SER HA H 45 4.611 4.611 3.983 0.628 17850 5400 1 7 . 1 1 45 45 SER C C 45 174.913 174.913 176.286 -1.373 17850 5401 1 7 . 1 1 45 45 SER CA C 45 56.689 56.689 61.712 -5.023 17850 5402 1 7 . 1 1 45 45 SER CB C 45 65.502 65.502 63.427 2.075 17850 5403 1 7 . 1 1 45 45 SER H H 45 9.387 9.387 9.068 0.319 17850 5404 1 7 . 1 1 46 46 GLU N N 46 121.468 121.468 118.258 3.210 17850 5405 1 7 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.180 -0.241 17850 5406 1 7 . 1 1 46 46 GLU C C 46 179.002 179.002 178.827 0.175 17850 5407 1 7 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.294 0.841 17850 5408 1 7 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.796 0.551 17850 5409 1 7 . 1 1 46 46 GLU H H 46 8.913 8.913 8.560 0.353 17850 5410 1 7 . 1 1 47 47 ALA N N 47 121.115 121.115 121.765 -0.650 17850 5411 1 7 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.147 0.005 17850 5412 1 7 . 1 1 47 47 ALA C C 47 179.962 179.962 180.223 -0.261 17850 5413 1 7 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.566 0.552 17850 5414 1 7 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.103 -0.748 17850 5415 1 7 . 1 1 47 47 ALA H H 47 8.324 8.324 7.705 0.619 17850 5416 1 7 . 1 1 48 48 GLU N N 48 118.713 118.713 119.665 -0.952 17850 5417 1 7 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.873 0.231 17850 5418 1 7 . 1 1 48 48 GLU C C 48 179.558 179.558 178.326 1.232 17850 5419 1 7 . 1 1 48 48 GLU CA C 48 59.218 59.218 60.772 -1.554 17850 5420 1 7 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.613 1.291 17850 5421 1 7 . 1 1 48 48 GLU H H 48 7.756 7.756 8.909 -1.153 17850 5422 1 7 . 1 1 49 49 VAL N N 49 119.108 119.108 120.100 -0.992 17850 5423 1 7 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.885 -0.421 17850 5424 1 7 . 1 1 49 49 VAL C C 49 177.505 177.505 178.114 -0.609 17850 5425 1 7 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.482 1.989 17850 5426 1 7 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.140 0.301 17850 5427 1 7 . 1 1 49 49 VAL H H 49 8.129 8.129 7.793 0.336 17850 5428 1 7 . 1 1 50 50 ASN N N 50 117.942 117.942 118.676 -0.734 17850 5429 1 7 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.515 -0.127 17850 5430 1 7 . 1 1 50 50 ASN C C 50 177.275 177.275 177.111 0.164 17850 5431 1 7 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.384 1.397 17850 5432 1 7 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.436 -0.039 17850 5433 1 7 . 1 1 50 50 ASN H H 50 8.071 8.071 7.676 0.395 17850 5434 1 7 . 1 1 51 51 ASP N N 51 120.669 120.669 118.487 2.182 17850 5435 1 7 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.551 -0.060 17850 5436 1 7 . 1 1 51 51 ASP C C 51 179.203 179.203 178.182 1.021 17850 5437 1 7 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.354 1.241 17850 5438 1 7 . 1 1 51 51 ASP CB C 51 40.314 40.314 40.862 -0.548 17850 5439 1 7 . 1 1 51 51 ASP H H 51 8.364 8.364 8.296 0.068 17850 5440 1 7 . 1 1 52 52 LEU N N 52 122.409 122.409 117.456 4.953 17850 5441 1 7 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.077 -0.006 17850 5442 1 7 . 1 1 52 52 LEU C C 52 179.017 179.017 177.884 1.133 17850 5443 1 7 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.854 0.603 17850 5444 1 7 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.627 0.454 17850 5445 1 7 . 1 1 52 52 LEU H H 52 8.018 8.018 8.526 -0.508 17850 5446 1 7 . 1 1 53 53 MET N N 53 117.391 117.391 117.797 -0.406 17850 5447 1 7 . 1 1 53 53 MET HA H 53 4.112 4.112 4.438 -0.326 17850 5448 1 7 . 1 1 53 53 MET CA C 53 57.472 57.472 57.275 0.197 17850 5449 1 7 . 1 1 53 53 MET CB C 53 30.021 30.021 32.938 -2.917 17850 5450 1 7 . 1 1 53 53 MET H H 53 8.562 8.562 8.450 0.112 17850 5451 1 7 . 1 1 54 54 ASN N N 54 115.554 115.554 115.811 -0.257 17850 5452 1 7 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.676 -0.118 17850 5453 1 7 . 1 1 54 54 ASN C C 54 176.801 176.801 175.216 1.585 17850 5454 1 7 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.638 1.659 17850 5455 1 7 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.348 -1.191 17850 5456 1 7 . 1 1 54 54 ASN H H 54 8.204 8.204 7.672 0.532 17850 5457 1 7 . 1 1 55 55 GLU N N 55 117.659 117.659 116.149 1.510 17850 5458 1 7 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.380 -0.178 17850 5459 1 7 . 1 1 55 55 GLU C C 55 177.093 177.093 176.799 0.294 17850 5460 1 7 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.443 2.384 17850 5461 1 7 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.190 -0.170 17850 5462 1 7 . 1 1 55 55 GLU H H 55 7.617 7.617 7.352 0.265 17850 5463 1 7 . 1 1 56 56 ILE N N 56 117.618 117.618 123.426 -5.808 17850 5464 1 7 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.217 -0.333 17850 5465 1 7 . 1 1 56 56 ILE C C 56 176.029 176.029 176.968 -0.939 17850 5466 1 7 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.939 -0.125 17850 5467 1 7 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.441 1.487 17850 5468 1 7 . 1 1 56 56 ILE H H 56 7.472 7.472 7.972 -0.500 17850 5469 1 7 . 1 1 57 57 ASP N N 57 118.636 118.636 125.530 -6.894 17850 5470 1 7 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.553 -0.141 17850 5471 1 7 . 1 1 57 57 ASP C C 57 175.691 175.691 176.250 -0.559 17850 5472 1 7 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.477 -0.944 17850 5473 1 7 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.269 -0.024 17850 5474 1 7 . 1 1 57 57 ASP H H 57 8.304 8.304 9.091 -0.787 17850 5475 1 7 . 1 1 58 58 VAL N N 58 126.376 126.376 117.836 8.540 17850 5476 1 7 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.132 -0.138 17850 5477 1 7 . 1 1 58 58 VAL C C 58 177.258 177.258 176.740 0.518 17850 5478 1 7 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.686 2.648 17850 5479 1 7 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.340 0.967 17850 5480 1 7 . 1 1 58 58 VAL H H 58 7.926 7.926 7.379 0.547 17850 5481 1 7 . 1 1 59 59 ASP N N 59 117.093 117.093 120.112 -3.019 17850 5482 1 7 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.259 0.298 17850 5483 1 7 . 1 1 59 59 ASP C C 59 177.759 177.759 176.817 0.942 17850 5484 1 7 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.852 -0.976 17850 5485 1 7 . 1 1 59 59 ASP H H 59 8.363 8.363 8.262 0.101 17850 5486 1 7 . 1 1 60 60 GLY N N 60 108.290 108.290 108.316 -0.026 17850 5487 1 7 . 1 1 60 60 GLY C C 60 174.700 174.700 174.827 -0.127 17850 5488 1 7 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.845 3.275 17850 5489 1 7 . 1 1 60 60 GLY H H 60 7.636 7.636 8.898 -1.262 17850 5490 1 7 . 1 1 61 61 ASN N N 61 118.884 118.884 116.186 2.698 17850 5491 1 7 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.315 0.214 17850 5492 1 7 . 1 1 61 61 ASN C C 61 175.856 175.856 173.022 2.834 17850 5493 1 7 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.897 -2.537 17850 5494 1 7 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.783 0.394 17850 5495 1 7 . 1 1 61 61 ASN H H 61 8.078 8.078 8.215 -0.137 17850 5496 1 7 . 1 1 62 62 HIS N N 62 117.381 117.381 112.626 4.755 17850 5497 1 7 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.032 -1.155 17850 5498 1 7 . 1 1 62 62 HIS C C 62 172.310 172.310 173.726 -1.416 17850 5499 1 7 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.532 1.841 17850 5500 1 7 . 1 1 62 62 HIS CB C 62 26.734 26.734 34.996 -8.262 17850 5501 1 7 . 1 1 62 62 HIS H H 62 9.958 9.958 8.257 1.701 17850 5502 1 7 . 1 1 63 63 GLN N N 63 112.906 112.906 121.330 -8.424 17850 5503 1 7 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.907 -0.075 17850 5504 1 7 . 1 1 63 63 GLN C C 63 174.861 174.861 176.258 -1.397 17850 5505 1 7 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.693 -0.818 17850 5506 1 7 . 1 1 63 63 GLN CB C 63 32.150 32.150 29.893 2.257 17850 5507 1 7 . 1 1 63 63 GLN H H 63 7.535 7.535 8.336 -0.801 17850 5508 1 7 . 1 1 64 64 ILE N N 64 124.083 124.083 127.162 -3.079 17850 5509 1 7 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.810 0.262 17850 5510 1 7 . 1 1 64 64 ILE C C 64 176.670 176.670 176.462 0.208 17850 5511 1 7 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.296 -0.625 17850 5512 1 7 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.148 -0.981 17850 5513 1 7 . 1 1 64 64 ILE H H 64 9.274 9.274 8.311 0.963 17850 5514 1 7 . 1 1 65 65 GLU N N 65 129.276 129.276 120.131 9.145 17850 5515 1 7 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.772 2.268 17850 5516 1 7 . 1 1 65 65 GLU C C 65 178.156 178.156 176.860 1.296 17850 5517 1 7 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.513 0.335 17850 5518 1 7 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.518 1.662 17850 5519 1 7 . 1 1 65 65 GLU H H 65 8.848 8.848 9.039 -0.191 17850 5520 1 7 . 1 1 66 66 PHE N N 66 124.260 124.260 118.999 5.261 17850 5521 1 7 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.953 -0.263 17850 5522 1 7 . 1 1 66 66 PHE C C 66 177.294 177.294 177.313 -0.019 17850 5523 1 7 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.650 1.370 17850 5524 1 7 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.853 -0.900 17850 5525 1 7 . 1 1 66 66 PHE H H 66 9.353 9.353 8.338 1.015 17850 5526 1 7 . 1 1 67 67 SER N N 67 112.827 112.827 118.922 -6.095 17850 5527 1 7 . 1 1 67 67 SER HA H 67 3.726 3.726 4.090 -0.364 17850 5528 1 7 . 1 1 67 67 SER C C 67 177.352 177.352 176.574 0.778 17850 5529 1 7 . 1 1 67 67 SER CA C 67 61.581 61.581 61.044 0.537 17850 5530 1 7 . 1 1 67 67 SER CB C 67 61.379 61.379 62.845 -1.466 17850 5531 1 7 . 1 1 67 67 SER H H 67 9.035 9.035 7.920 1.115 17850 5532 1 7 . 1 1 68 68 GLU N N 68 123.071 123.071 119.812 3.259 17850 5533 1 7 . 1 1 68 68 GLU HA H 68 4.135 4.135 4.008 0.127 17850 5534 1 7 . 1 1 68 68 GLU C C 68 178.895 178.895 177.820 1.075 17850 5535 1 7 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.026 -2.048 17850 5536 1 7 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.238 -0.961 17850 5537 1 7 . 1 1 68 68 GLU H H 68 6.829 6.829 8.230 -1.401 17850 5538 1 7 . 1 1 69 69 PHE N N 69 123.805 123.805 117.239 6.566 17850 5539 1 7 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.999 -0.100 17850 5540 1 7 . 1 1 69 69 PHE C C 69 176.325 176.325 176.831 -0.506 17850 5541 1 7 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.389 1.037 17850 5542 1 7 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.892 2.536 17850 5543 1 7 . 1 1 69 69 PHE H H 69 8.245 8.245 7.554 0.691 17850 5544 1 7 . 1 1 70 70 LEU N N 70 119.210 119.210 117.839 1.371 17850 5545 1 7 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.029 -0.793 17850 5546 1 7 . 1 1 70 70 LEU C C 70 179.131 179.131 177.529 1.602 17850 5547 1 7 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.579 0.898 17850 5548 1 7 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.390 -0.062 17850 5549 1 7 . 1 1 70 70 LEU H H 70 8.788 8.788 7.609 1.179 17850 5550 1 7 . 1 1 71 71 ALA N N 71 121.612 121.612 121.108 0.504 17850 5551 1 7 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.011 -0.102 17850 5552 1 7 . 1 1 71 71 ALA C C 71 179.804 179.804 178.829 0.975 17850 5553 1 7 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.810 0.306 17850 5554 1 7 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.672 -1.911 17850 5555 1 7 . 1 1 71 71 ALA H H 71 7.365 7.365 7.150 0.215 17850 5556 1 7 . 1 1 72 72 LEU N N 72 118.944 118.944 116.711 2.233 17850 5557 1 7 . 1 1 72 72 LEU HA H 72 3.964 3.964 4.050 -0.086 17850 5558 1 7 . 1 1 72 72 LEU C C 72 178.415 178.415 178.245 0.170 17850 5559 1 7 . 1 1 72 72 LEU CA C 72 57.817 57.817 55.824 1.993 17850 5560 1 7 . 1 1 72 72 LEU CB C 72 41.468 41.468 40.773 0.695 17850 5561 1 7 . 1 1 72 72 LEU H H 72 7.142 7.142 7.536 -0.394 17850 5562 1 7 . 1 1 73 73 MET N N 73 114.500 114.500 115.483 -0.983 17850 5563 1 7 . 1 1 73 73 MET HA H 73 3.978 3.978 4.696 -0.718 17850 5564 1 7 . 1 1 73 73 MET C C 73 178.283 178.283 175.459 2.824 17850 5565 1 7 . 1 1 73 73 MET CA C 73 55.701 55.701 55.205 0.496 17850 5566 1 7 . 1 1 73 73 MET CB C 73 30.742 30.742 32.544 -1.802 17850 5567 1 7 . 1 1 73 73 MET H H 73 7.726 7.726 7.420 0.306 17850 5568 1 7 . 1 1 74 74 SER N N 74 112.626 112.626 115.295 -2.669 17850 5569 1 7 . 1 1 74 74 SER HA H 74 4.287 4.287 4.589 -0.302 17850 5570 1 7 . 1 1 74 74 SER C C 74 174.717 174.717 174.484 0.233 17850 5571 1 7 . 1 1 74 74 SER CA C 74 59.582 59.582 59.221 0.361 17850 5572 1 7 . 1 1 74 74 SER CB C 74 63.746 63.746 64.207 -0.461 17850 5573 1 7 . 1 1 74 74 SER H H 74 7.857 7.857 8.201 -0.344 17850 5574 1 7 . 1 1 75 75 ARG N N 75 122.130 122.130 118.634 3.496 17850 5575 1 7 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.057 0.090 17850 5576 1 7 . 1 1 75 75 ARG CA C 75 57.775 57.775 58.576 -0.801 17850 5577 1 7 . 1 1 75 75 ARG CB C 75 30.666 30.666 30.437 0.229 17850 5578 1 7 . 1 1 75 75 ARG H H 75 7.208 7.208 8.319 -1.111 17850 5579 1 7 . 1 1 76 76 GLN N N 76 121.749 121.749 117.473 4.276 17850 5580 1 7 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.158 0.126 17850 5581 1 7 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.358 -0.165 17850 5582 1 7 . 1 1 76 76 GLN CB C 76 29.057 29.057 26.564 2.493 17850 5583 1 7 . 1 1 76 76 GLN H H 76 8.327 8.327 8.014 0.313 17850 5584 1 7 . 1 1 77 77 LEU N N 77 124.093 124.093 124.253 -0.160 17850 5585 1 7 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.304 0.135 17850 5586 1 7 . 1 1 77 77 LEU C C 77 177.670 177.670 177.365 0.305 17850 5587 1 7 . 1 1 77 77 LEU CA C 77 55.283 55.283 56.111 -0.828 17850 5588 1 7 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.728 0.052 17850 5589 1 7 . 1 1 77 77 LEU H H 77 8.264 8.264 8.426 -0.162 17850 5590 1 7 . 1 1 78 78 LYS N N 78 121.053 121.053 117.529 3.524 17850 5591 1 7 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.560 -0.153 17850 5592 1 7 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.756 -0.571 17850 5593 1 7 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.931 -0.654 17850 5594 1 7 . 1 1 78 78 LYS H H 78 8.433 8.433 8.529 -0.096 17850 5595 1 7 . 1 1 79 79 SER N N 79 116.423 116.423 117.065 -0.642 17850 5596 1 7 . 1 1 79 79 SER HA H 79 4.321 4.321 4.644 -0.323 17850 5597 1 7 . 1 1 79 79 SER C C 79 175.145 175.145 173.095 2.050 17850 5598 1 7 . 1 1 79 79 SER CA C 79 59.795 59.795 57.866 1.929 17850 5599 1 7 . 1 1 79 79 SER CB C 79 63.226 63.226 63.595 -0.369 17850 5600 1 7 . 1 1 79 79 SER H H 79 8.448 8.448 8.259 0.189 17850 5601 1 7 . 1 1 80 80 ASN N N 80 119.581 119.581 120.612 -1.031 17850 5602 1 7 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.631 0.068 17850 5603 1 7 . 1 1 80 80 ASN C C 80 175.726 175.726 176.835 -1.109 17850 5604 1 7 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.041 -1.628 17850 5605 1 7 . 1 1 80 80 ASN CB C 80 38.588 38.588 39.116 -0.528 17850 5606 1 7 . 1 1 80 80 ASN H H 80 8.513 8.513 8.303 0.210 17850 5607 1 7 . 1 1 81 81 ASP N N 81 120.378 120.378 119.398 0.980 17850 5608 1 7 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.497 0.133 17850 5609 1 7 . 1 1 81 81 ASP C C 81 177.281 177.281 178.387 -1.106 17850 5610 1 7 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.104 -1.511 17850 5611 1 7 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.217 1.389 17850 5612 1 7 . 1 1 81 81 ASP H H 81 7.957 7.957 8.697 -0.740 17850 5613 1 7 . 1 1 82 82 SER N N 82 117.046 117.046 116.061 0.985 17850 5614 1 7 . 1 1 82 82 SER HA H 82 4.194 4.194 4.119 0.075 17850 5615 1 7 . 1 1 82 82 SER C C 82 176.745 176.745 176.353 0.392 17850 5616 1 7 . 1 1 82 82 SER CA C 82 61.376 61.376 61.038 0.337 17850 5617 1 7 . 1 1 82 82 SER CB C 82 62.896 62.896 63.001 -0.105 17850 5618 1 7 . 1 1 82 82 SER H H 82 8.469 8.469 8.390 0.079 17850 5619 1 7 . 1 1 83 83 GLU N N 83 122.405 122.405 120.063 2.342 17850 5620 1 7 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.051 0.049 17850 5621 1 7 . 1 1 83 83 GLU C C 83 178.740 178.740 178.852 -0.112 17850 5622 1 7 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.382 0.083 17850 5623 1 7 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.236 0.168 17850 5624 1 7 . 1 1 83 83 GLU H H 83 8.357 8.357 7.713 0.644 17850 5625 1 7 . 1 1 84 84 GLN N N 84 118.604 118.604 118.881 -0.277 17850 5626 1 7 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.039 0.070 17850 5627 1 7 . 1 1 84 84 GLN C C 84 178.533 178.533 178.397 0.136 17850 5628 1 7 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.607 -0.140 17850 5629 1 7 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.023 0.397 17850 5630 1 7 . 1 1 84 84 GLN H H 84 7.988 7.988 8.372 -0.384 17850 5631 1 7 . 1 1 85 85 GLU N N 85 119.418 119.418 119.930 -0.512 17850 5632 1 7 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.115 -0.173 17850 5633 1 7 . 1 1 85 85 GLU C C 85 178.250 178.250 178.957 -0.707 17850 5634 1 7 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.836 0.288 17850 5635 1 7 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.773 -0.201 17850 5636 1 7 . 1 1 85 85 GLU H H 85 8.228 8.228 7.482 0.746 17850 5637 1 7 . 1 1 86 86 LEU N N 86 120.010 120.010 118.193 1.817 17850 5638 1 7 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.143 0.016 17850 5639 1 7 . 1 1 86 86 LEU C C 86 178.534 178.534 179.208 -0.674 17850 5640 1 7 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.495 -0.288 17850 5641 1 7 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.063 0.563 17850 5642 1 7 . 1 1 86 86 LEU H H 86 7.797 7.797 8.460 -0.663 17850 5643 1 7 . 1 1 87 87 LEU N N 87 119.111 119.111 120.727 -1.616 17850 5644 1 7 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.123 -0.019 17850 5645 1 7 . 1 1 87 87 LEU C C 87 179.333 179.333 179.475 -0.142 17850 5646 1 7 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.157 0.086 17850 5647 1 7 . 1 1 87 87 LEU CB C 87 41.766 41.766 42.031 -0.265 17850 5648 1 7 . 1 1 87 87 LEU H H 87 7.825 7.825 8.544 -0.719 17850 5649 1 7 . 1 1 88 88 GLU N N 88 117.514 117.514 119.446 -1.932 17850 5650 1 7 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.482 -0.381 17850 5651 1 7 . 1 1 88 88 GLU C C 88 179.461 179.461 178.750 0.711 17850 5652 1 7 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.914 0.102 17850 5653 1 7 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.293 -0.623 17850 5654 1 7 . 1 1 88 88 GLU H H 88 8.265 8.265 8.842 -0.577 17850 5655 1 7 . 1 1 89 89 ALA N N 89 120.734 120.734 123.992 -3.258 17850 5656 1 7 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.744 0.423 17850 5657 1 7 . 1 1 89 89 ALA C C 89 178.362 178.362 178.422 -0.060 17850 5658 1 7 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.238 0.839 17850 5659 1 7 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.288 -1.305 17850 5660 1 7 . 1 1 89 89 ALA H H 89 8.192 8.192 8.748 -0.556 17850 5661 1 7 . 1 1 90 90 PHE N N 90 119.339 119.339 118.435 0.904 17850 5662 1 7 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.966 -0.767 17850 5663 1 7 . 1 1 90 90 PHE C C 90 177.497 177.497 177.522 -0.025 17850 5664 1 7 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.764 1.421 17850 5665 1 7 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.527 1.293 17850 5666 1 7 . 1 1 90 90 PHE H H 90 8.685 8.685 7.575 1.110 17850 5667 1 7 . 1 1 91 91 LYS N N 91 116.189 116.189 120.275 -4.086 17850 5668 1 7 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.885 0.063 17850 5669 1 7 . 1 1 91 91 LYS C C 91 178.236 178.236 177.839 0.397 17850 5670 1 7 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.331 0.182 17850 5671 1 7 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.918 -0.047 17850 5672 1 7 . 1 1 91 91 LYS H H 91 8.112 8.112 7.874 0.238 17850 5673 1 7 . 1 1 92 92 VAL N N 92 117.696 117.696 116.220 1.476 17850 5674 1 7 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.862 -0.290 17850 5675 1 7 . 1 1 92 92 VAL C C 92 176.545 176.545 176.750 -0.205 17850 5676 1 7 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.037 0.535 17850 5677 1 7 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.055 -0.629 17850 5678 1 7 . 1 1 92 92 VAL H H 92 7.383 7.383 7.627 -0.244 17850 5679 1 7 . 1 1 93 93 PHE N N 93 114.826 114.826 117.572 -2.746 17850 5680 1 7 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.662 -0.435 17850 5681 1 7 . 1 1 93 93 PHE C C 93 176.417 176.417 175.851 0.566 17850 5682 1 7 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.831 0.769 17850 5683 1 7 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.928 2.268 17850 5684 1 7 . 1 1 93 93 PHE H H 93 7.116 7.116 7.406 -0.290 17850 5685 1 7 . 1 1 94 94 ASP N N 94 116.753 116.753 124.729 -7.976 17850 5686 1 7 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.492 0.039 17850 5687 1 7 . 1 1 94 94 ASP C C 94 177.305 177.305 177.104 0.201 17850 5688 1 7 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.188 -2.716 17850 5689 1 7 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.506 -1.665 17850 5690 1 7 . 1 1 94 94 ASP H H 94 7.849 7.849 8.246 -0.397 17850 5691 1 7 . 1 1 95 95 LYS N N 95 125.185 125.185 119.338 5.847 17850 5692 1 7 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.165 -0.162 17850 5693 1 7 . 1 1 95 95 LYS C C 95 178.261 178.261 176.973 1.288 17850 5694 1 7 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.795 1.282 17850 5695 1 7 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.412 -1.222 17850 5696 1 7 . 1 1 95 95 LYS H H 95 7.755 7.755 7.840 -0.085 17850 5697 1 7 . 1 1 96 96 ASN N N 96 112.542 112.542 119.730 -7.188 17850 5698 1 7 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.383 0.402 17850 5699 1 7 . 1 1 96 96 ASN C C 96 176.469 176.469 174.496 1.973 17850 5700 1 7 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.972 -1.110 17850 5701 1 7 . 1 1 96 96 ASN H H 96 8.069 8.069 8.028 0.041 17850 5702 1 7 . 1 1 97 97 GLY N N 97 109.956 109.956 110.700 -0.744 17850 5703 1 7 . 1 1 97 97 GLY C C 97 175.032 175.032 175.748 -0.716 17850 5704 1 7 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.310 3.398 17850 5705 1 7 . 1 1 97 97 GLY H H 97 7.686 7.686 8.994 -1.308 17850 5706 1 7 . 1 1 98 98 ASP N N 98 119.383 119.383 120.254 -0.871 17850 5707 1 7 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.292 0.261 17850 5708 1 7 . 1 1 98 98 ASP C C 98 177.274 177.274 174.622 2.652 17850 5709 1 7 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.971 -1.637 17850 5710 1 7 . 1 1 98 98 ASP H H 98 8.249 8.249 8.073 0.176 17850 5711 1 7 . 1 1 99 99 GLY N N 99 112.398 112.398 105.332 7.066 17850 5712 1 7 . 1 1 99 99 GLY C C 99 173.128 173.128 173.994 -0.866 17850 5713 1 7 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.800 1.929 17850 5714 1 7 . 1 1 99 99 GLY H H 99 10.390 10.390 8.045 2.345 17850 5715 1 7 . 1 1 100 100 LEU N N 100 120.803 120.803 125.863 -5.060 17850 5716 1 7 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.762 0.503 17850 5717 1 7 . 1 1 100 100 LEU C C 100 176.427 176.427 177.530 -1.103 17850 5718 1 7 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.006 -2.230 17850 5719 1 7 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.436 4.765 17850 5720 1 7 . 1 1 100 100 LEU H H 100 7.987 7.987 9.071 -1.084 17850 5721 1 7 . 1 1 101 101 ILE N N 101 125.286 125.286 127.990 -2.704 17850 5722 1 7 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.510 0.212 17850 5723 1 7 . 1 1 101 101 ILE C C 101 175.432 175.432 177.059 -1.627 17850 5724 1 7 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.547 -0.298 17850 5725 1 7 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.681 -0.617 17850 5726 1 7 . 1 1 101 101 ILE H H 101 9.698 9.698 8.139 1.559 17850 5727 1 7 . 1 1 102 102 SER N N 102 123.133 123.133 116.654 6.479 17850 5728 1 7 . 1 1 102 102 SER HA H 102 4.969 4.969 4.082 0.887 17850 5729 1 7 . 1 1 102 102 SER C C 102 175.298 175.298 176.573 -1.275 17850 5730 1 7 . 1 1 102 102 SER CA C 102 55.994 55.994 61.742 -5.748 17850 5731 1 7 . 1 1 102 102 SER CB C 102 66.456 66.456 61.937 4.519 17850 5732 1 7 . 1 1 102 102 SER H H 102 9.095 9.095 9.015 0.080 17850 5733 1 7 . 1 1 103 103 ALA N N 103 122.886 122.886 122.202 0.684 17850 5734 1 7 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.880 0.009 17850 5735 1 7 . 1 1 103 103 ALA C C 103 179.237 179.237 179.970 -0.733 17850 5736 1 7 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.174 0.908 17850 5737 1 7 . 1 1 103 103 ALA CB C 103 18.057 18.057 18.055 0.002 17850 5738 1 7 . 1 1 103 103 ALA H H 103 8.691 8.691 8.386 0.305 17850 5739 1 7 . 1 1 104 104 ALA N N 104 118.317 118.317 119.995 -1.678 17850 5740 1 7 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.638 0.436 17850 5741 1 7 . 1 1 104 104 ALA C C 104 181.451 181.451 179.476 1.975 17850 5742 1 7 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.657 0.628 17850 5743 1 7 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.719 -0.284 17850 5744 1 7 . 1 1 104 104 ALA H H 104 8.392 8.392 7.720 0.672 17850 5745 1 7 . 1 1 105 105 GLU N N 105 120.398 120.398 117.869 2.529 17850 5746 1 7 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.705 -0.645 17850 5747 1 7 . 1 1 105 105 GLU C C 105 179.223 179.223 177.601 1.622 17850 5748 1 7 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.531 -0.068 17850 5749 1 7 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.065 -0.914 17850 5750 1 7 . 1 1 105 105 GLU H H 105 7.879 7.879 8.323 -0.444 17850 5751 1 7 . 1 1 106 106 LEU N N 106 120.023 120.023 120.428 -0.405 17850 5752 1 7 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.910 0.253 17850 5753 1 7 . 1 1 106 106 LEU C C 106 178.503 178.503 178.900 -0.397 17850 5754 1 7 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.468 0.221 17850 5755 1 7 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.026 1.261 17850 5756 1 7 . 1 1 106 106 LEU H H 106 8.479 8.479 8.756 -0.277 17850 5757 1 7 . 1 1 107 107 LYS N N 107 117.064 117.064 119.748 -2.684 17850 5758 1 7 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.997 -0.179 17850 5759 1 7 . 1 1 107 107 LYS C C 107 179.039 179.039 178.126 0.913 17850 5760 1 7 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.029 1.279 17850 5761 1 7 . 1 1 107 107 LYS CB C 107 32.890 32.890 31.983 0.906 17850 5762 1 7 . 1 1 107 107 LYS H H 107 8.758 8.758 8.524 0.234 17850 5763 1 7 . 1 1 108 108 HIS N N 108 119.125 119.125 117.605 1.520 17850 5764 1 7 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.538 0.778 17850 5765 1 7 . 1 1 108 108 HIS C C 108 178.394 178.394 177.317 1.077 17850 5766 1 7 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.275 0.912 17850 5767 1 7 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.352 1.140 17850 5768 1 7 . 1 1 108 108 HIS H H 108 8.287 8.287 7.614 0.673 17850 5769 1 7 . 1 1 109 109 VAL N N 109 119.525 119.525 119.618 -0.093 17850 5770 1 7 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.764 -0.279 17850 5771 1 7 . 1 1 109 109 VAL C C 109 178.246 178.246 178.114 0.132 17850 5772 1 7 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.246 1.464 17850 5773 1 7 . 1 1 109 109 VAL CB C 109 31.572 31.572 31.188 0.385 17850 5774 1 7 . 1 1 109 109 VAL H H 109 7.915 7.915 8.501 -0.586 17850 5775 1 7 . 1 1 110 110 LEU N N 110 117.403 117.403 119.054 -1.651 17850 5776 1 7 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.591 -0.612 17850 5777 1 7 . 1 1 110 110 LEU C C 110 178.968 178.968 177.553 1.415 17850 5778 1 7 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.429 0.789 17850 5779 1 7 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.848 -1.320 17850 5780 1 7 . 1 1 110 110 LEU H H 110 8.269 8.269 8.335 -0.066 17850 5781 1 7 . 1 1 111 111 THR N N 111 114.122 114.122 115.664 -1.542 17850 5782 1 7 . 1 1 111 111 THR HA H 111 4.184 4.184 4.126 0.058 17850 5783 1 7 . 1 1 111 111 THR C C 111 178.534 178.534 175.232 3.302 17850 5784 1 7 . 1 1 111 111 THR CA C 111 66.252 66.252 63.728 2.524 17850 5785 1 7 . 1 1 111 111 THR CB C 111 68.851 68.851 68.584 0.267 17850 5786 1 7 . 1 1 111 111 THR H H 111 8.441 8.441 7.976 0.465 17850 5787 1 7 . 1 1 112 112 SER N N 112 119.981 119.981 107.709 12.272 17850 5788 1 7 . 1 1 112 112 SER HA H 112 4.215 4.215 4.558 -0.343 17850 5789 1 7 . 1 1 112 112 SER C C 112 175.523 175.523 174.996 0.527 17850 5790 1 7 . 1 1 112 112 SER CA C 112 62.197 62.197 58.890 3.307 17850 5791 1 7 . 1 1 112 112 SER CB C 112 62.936 62.936 64.281 -1.345 17850 5792 1 7 . 1 1 112 112 SER H H 112 7.910 7.910 7.147 0.763 17850 5793 1 7 . 1 1 113 113 ILE N N 113 112.726 112.726 119.121 -6.395 17850 5794 1 7 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.825 0.659 17850 5795 1 7 . 1 1 113 113 ILE C C 113 175.636 175.636 175.354 0.282 17850 5796 1 7 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.118 -0.363 17850 5797 1 7 . 1 1 113 113 ILE H H 113 7.473 7.473 7.367 0.106 17850 5798 1 7 . 1 1 114 114 GLY N N 114 108.354 108.354 111.218 -2.864 17850 5799 1 7 . 1 1 114 114 GLY C C 114 174.583 174.583 173.600 0.983 17850 5800 1 7 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.324 0.526 17850 5801 1 7 . 1 1 114 114 GLY H H 114 7.652 7.652 8.269 -0.617 17850 5802 1 7 . 1 1 115 115 GLU N N 115 120.283 120.283 118.375 1.908 17850 5803 1 7 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.906 -0.601 17850 5804 1 7 . 1 1 115 115 GLU C C 115 175.444 175.444 175.561 -0.117 17850 5805 1 7 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.215 -0.083 17850 5806 1 7 . 1 1 115 115 GLU CB C 115 30.250 30.250 32.196 -1.946 17850 5807 1 7 . 1 1 115 115 GLU H H 115 8.045 8.045 8.258 -0.213 17850 5808 1 7 . 1 1 116 116 LYS N N 116 124.370 124.370 125.376 -1.006 17850 5809 1 7 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.613 -0.191 17850 5810 1 7 . 1 1 116 116 LYS C C 116 175.287 175.287 176.190 -0.903 17850 5811 1 7 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.681 -0.046 17850 5812 1 7 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.024 -2.882 17850 5813 1 7 . 1 1 116 116 LYS H H 116 8.571 8.571 8.633 -0.062 17850 5814 1 7 . 1 1 117 117 LEU N N 117 125.492 125.492 120.945 4.547 17850 5815 1 7 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.317 0.467 17850 5816 1 7 . 1 1 117 117 LEU C C 117 177.161 177.161 177.373 -0.212 17850 5817 1 7 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.411 0.822 17850 5818 1 7 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.492 1.506 17850 5819 1 7 . 1 1 117 117 LEU H H 117 8.042 8.042 8.230 -0.189 17850 5820 1 7 . 1 1 118 118 THR N N 118 113.255 113.255 116.681 -3.426 17850 5821 1 7 . 1 1 118 118 THR HA H 118 4.497 4.497 4.015 0.482 17850 5822 1 7 . 1 1 118 118 THR C C 118 175.335 175.335 176.832 -1.497 17850 5823 1 7 . 1 1 118 118 THR CA C 118 60.434 60.434 66.865 -6.431 17850 5824 1 7 . 1 1 118 118 THR CB C 118 71.193 71.193 68.530 2.663 17850 5825 1 7 . 1 1 118 118 THR H H 118 8.995 8.995 8.671 0.324 17850 5826 1 7 . 1 1 119 119 ASP N N 119 120.837 120.837 118.373 2.464 17850 5827 1 7 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.523 -0.291 17850 5828 1 7 . 1 1 119 119 ASP C C 119 178.422 178.422 177.350 1.072 17850 5829 1 7 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.425 1.672 17850 5830 1 7 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.174 -0.199 17850 5831 1 7 . 1 1 119 119 ASP H H 119 8.743 8.743 8.538 0.205 17850 5832 1 7 . 1 1 120 120 ALA N N 120 121.309 121.309 121.373 -0.064 17850 5833 1 7 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.224 -0.058 17850 5834 1 7 . 1 1 120 120 ALA C C 120 179.796 179.796 179.964 -0.168 17850 5835 1 7 . 1 1 120 120 ALA CA C 120 55.028 55.028 53.556 1.472 17850 5836 1 7 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.303 -0.983 17850 5837 1 7 . 1 1 120 120 ALA H H 120 8.304 8.304 7.578 0.726 17850 5838 1 7 . 1 1 121 121 GLU N N 121 118.068 118.068 121.509 -3.441 17850 5839 1 7 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.919 0.138 17850 5840 1 7 . 1 1 121 121 GLU C C 121 180.035 180.035 177.555 2.480 17850 5841 1 7 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.648 -1.410 17850 5842 1 7 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.804 0.625 17850 5843 1 7 . 1 1 121 121 GLU H H 121 7.705 7.705 8.810 -1.105 17850 5844 1 7 . 1 1 122 122 VAL N N 122 120.636 120.636 117.227 3.409 17850 5845 1 7 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.798 -0.261 17850 5846 1 7 . 1 1 122 122 VAL C C 122 177.120 177.120 178.057 -0.937 17850 5847 1 7 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.993 1.049 17850 5848 1 7 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.727 -0.335 17850 5849 1 7 . 1 1 122 122 VAL H H 122 7.935 7.935 8.282 -0.347 17850 5850 1 7 . 1 1 123 123 ASP N N 123 120.336 120.336 118.483 1.853 17850 5851 1 7 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.550 -0.247 17850 5852 1 7 . 1 1 123 123 ASP C C 123 179.023 179.023 178.068 0.955 17850 5853 1 7 . 1 1 123 123 ASP CA C 123 57.943 57.943 55.958 1.985 17850 5854 1 7 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.380 -0.709 17850 5855 1 7 . 1 1 123 123 ASP H H 123 8.204 8.204 7.840 0.364 17850 5856 1 7 . 1 1 124 124 ASP N N 124 118.890 118.890 120.815 -1.925 17850 5857 1 7 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.371 -0.031 17850 5858 1 7 . 1 1 124 124 ASP C C 124 178.527 178.527 177.601 0.926 17850 5859 1 7 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.231 0.292 17850 5860 1 7 . 1 1 124 124 ASP CB C 124 40.820 40.820 41.051 -0.231 17850 5861 1 7 . 1 1 124 124 ASP H H 124 8.272 8.272 7.908 0.364 17850 5862 1 7 . 1 1 125 125 MET N N 125 119.365 119.365 116.918 2.447 17850 5863 1 7 . 1 1 125 125 MET HA H 125 4.091 4.091 4.092 -0.001 17850 5864 1 7 . 1 1 125 125 MET C C 125 178.021 178.021 178.352 -0.331 17850 5865 1 7 . 1 1 125 125 MET CA C 125 59.205 59.205 58.035 1.169 17850 5866 1 7 . 1 1 125 125 MET CB C 125 33.281 33.281 32.047 1.234 17850 5867 1 7 . 1 1 125 125 MET H H 125 7.750 7.750 8.637 -0.887 17850 5868 1 7 . 1 1 126 126 LEU N N 126 117.193 117.193 118.352 -1.159 17850 5869 1 7 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.987 -0.063 17850 5870 1 7 . 1 1 126 126 LEU C C 126 180.267 180.267 179.545 0.722 17850 5871 1 7 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.755 0.047 17850 5872 1 7 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.391 0.223 17850 5873 1 7 . 1 1 126 126 LEU H H 126 8.152 8.152 7.561 0.591 17850 5874 1 7 . 1 1 127 127 ARG N N 127 120.792 120.792 117.723 3.069 17850 5875 1 7 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.120 -0.079 17850 5876 1 7 . 1 1 127 127 ARG C C 127 178.027 178.027 177.605 0.422 17850 5877 1 7 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.535 0.746 17850 5878 1 7 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.456 -0.457 17850 5879 1 7 . 1 1 127 127 ARG H H 127 8.335 8.335 7.468 0.867 17850 5880 1 7 . 1 1 128 128 GLU N N 128 117.142 117.142 110.886 6.256 17850 5881 1 7 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.645 -0.539 17850 5882 1 7 . 1 1 128 128 GLU C C 128 178.618 178.618 175.537 3.081 17850 5883 1 7 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.584 3.621 17850 5884 1 7 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.436 -0.042 17850 5885 1 7 . 1 1 128 128 GLU H H 128 7.667 7.667 8.413 -0.746 17850 5886 1 7 . 1 1 129 129 VAL N N 129 108.345 108.345 118.434 -10.089 17850 5887 1 7 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.276 0.211 17850 5888 1 7 . 1 1 129 129 VAL C C 129 175.591 175.591 176.442 -0.851 17850 5889 1 7 . 1 1 129 129 VAL CA C 129 61.663 61.663 61.728 -0.066 17850 5890 1 7 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.263 -0.254 17850 5891 1 7 . 1 1 129 129 VAL H H 129 7.470 7.470 7.936 -0.466 17850 5892 1 7 . 1 1 130 130 SER N N 130 115.012 115.012 118.329 -3.317 17850 5893 1 7 . 1 1 130 130 SER HA H 130 4.670 4.670 4.093 0.577 17850 5894 1 7 . 1 1 130 130 SER C C 130 174.414 174.414 174.404 0.010 17850 5895 1 7 . 1 1 130 130 SER CA C 130 58.067 58.067 59.554 -1.487 17850 5896 1 7 . 1 1 130 130 SER CB C 130 65.814 65.814 61.899 3.915 17850 5897 1 7 . 1 1 130 130 SER H H 130 7.858 7.858 7.676 0.182 17850 5898 1 7 . 1 1 131 131 ASP N N 131 120.972 120.972 116.956 4.016 17850 5899 1 7 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.269 0.297 17850 5900 1 7 . 1 1 131 131 ASP C C 131 176.676 176.676 175.229 1.447 17850 5901 1 7 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.954 -0.171 17850 5902 1 7 . 1 1 131 131 ASP H H 131 8.478 8.478 8.292 0.186 17850 5903 1 7 . 1 1 132 132 GLY N N 132 105.512 105.512 108.477 -2.965 17850 5904 1 7 . 1 1 132 132 GLY C C 132 174.924 174.924 175.457 -0.533 17850 5905 1 7 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.817 -1.147 17850 5906 1 7 . 1 1 132 132 GLY H H 132 8.352 8.352 8.223 0.129 17850 5907 1 7 . 1 1 133 133 SER N N 133 116.718 116.718 115.029 1.689 17850 5908 1 7 . 1 1 133 133 SER HA H 133 4.435 4.435 4.376 0.059 17850 5909 1 7 . 1 1 133 133 SER C C 133 175.404 175.404 172.436 2.968 17850 5910 1 7 . 1 1 133 133 SER CA C 133 59.340 59.340 58.191 1.149 17850 5911 1 7 . 1 1 133 133 SER H H 133 8.104 8.104 8.665 -0.561 17850 5912 1 7 . 1 1 134 134 GLY N N 134 109.601 109.601 106.618 2.983 17850 5913 1 7 . 1 1 134 134 GLY C C 134 172.547 172.547 172.488 0.059 17850 5914 1 7 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.342 2.481 17850 5915 1 7 . 1 1 134 134 GLY H H 134 8.555 8.555 7.749 0.806 17850 5916 1 7 . 1 1 135 135 GLU N N 135 117.166 117.166 115.449 1.717 17850 5917 1 7 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.878 0.149 17850 5918 1 7 . 1 1 135 135 GLU C C 135 175.280 175.280 174.449 0.831 17850 5919 1 7 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.870 -0.135 17850 5920 1 7 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.609 0.265 17850 5921 1 7 . 1 1 135 135 GLU H H 135 7.641 7.641 8.191 -0.550 17850 5922 1 7 . 1 1 136 136 ILE N N 136 114.256 114.256 125.379 -11.123 17850 5923 1 7 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.835 0.241 17850 5924 1 7 . 1 1 136 136 ILE C C 136 175.228 175.228 177.088 -1.860 17850 5925 1 7 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.414 -0.016 17850 5926 1 7 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.539 2.113 17850 5927 1 7 . 1 1 136 136 ILE H H 136 8.565 8.565 8.291 0.274 17850 5928 1 7 . 1 1 137 137 ASN N N 137 121.842 121.842 118.324 3.518 17850 5929 1 7 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.724 1.541 17850 5930 1 7 . 1 1 137 137 ASN C C 137 176.835 176.835 176.262 0.573 17850 5931 1 7 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.694 -3.667 17850 5932 1 7 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.675 2.038 17850 5933 1 7 . 1 1 137 137 ASN H H 137 8.767 8.767 8.441 0.326 17850 5934 1 7 . 1 1 138 138 ILE N N 138 118.075 118.075 118.249 -0.174 17850 5935 1 7 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.873 -0.121 17850 5936 1 7 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.236 0.536 17850 5937 1 7 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.799 0.754 17850 5938 1 7 . 1 1 138 138 ILE H H 138 8.418 8.418 8.391 0.027 17850 5939 1 7 . 1 1 139 139 GLN N N 139 122.926 122.926 119.609 3.317 17850 5940 1 7 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.058 0.068 17850 5941 1 7 . 1 1 139 139 GLN C C 139 179.886 179.886 178.810 1.076 17850 5942 1 7 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.688 0.898 17850 5943 1 7 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.496 -0.711 17850 5944 1 7 . 1 1 139 139 GLN H H 139 7.632 7.632 7.938 -0.306 17850 5945 1 7 . 1 1 140 140 GLN N N 140 121.813 121.813 120.854 0.959 17850 5946 1 7 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.806 0.355 17850 5947 1 7 . 1 1 140 140 GLN C C 140 178.284 178.284 177.433 0.851 17850 5948 1 7 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.601 -0.385 17850 5949 1 7 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.276 0.161 17850 5950 1 7 . 1 1 140 140 GLN H H 140 8.416 8.416 8.856 -0.440 17850 5951 1 7 . 1 1 141 141 PHE N N 141 121.732 121.732 118.195 3.537 17850 5952 1 7 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.631 0.521 17850 5953 1 7 . 1 1 141 141 PHE C C 141 176.273 176.273 176.567 -0.294 17850 5954 1 7 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.374 0.586 17850 5955 1 7 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.968 2.093 17850 5956 1 7 . 1 1 141 141 PHE H H 141 9.030 9.030 7.859 1.171 17850 5957 1 7 . 1 1 142 142 ALA N N 142 119.852 119.852 120.974 -1.122 17850 5958 1 7 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.974 -0.171 17850 5959 1 7 . 1 1 142 142 ALA C C 142 180.733 180.733 179.984 0.749 17850 5960 1 7 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.427 0.783 17850 5961 1 7 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.180 -0.278 17850 5962 1 7 . 1 1 142 142 ALA H H 142 8.399 8.399 7.940 0.459 17850 5963 1 7 . 1 1 143 143 ALA N N 143 120.555 120.555 120.217 0.338 17850 5964 1 7 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.812 0.302 17850 5965 1 7 . 1 1 143 143 ALA C C 143 180.455 180.455 179.564 0.891 17850 5966 1 7 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.718 0.295 17850 5967 1 7 . 1 1 143 143 ALA CB C 143 17.849 17.849 18.715 -0.866 17850 5968 1 7 . 1 1 143 143 ALA H H 143 7.627 7.627 7.547 0.080 17850 5969 1 7 . 1 1 144 144 LEU N N 144 121.054 121.054 112.673 8.381 17850 5970 1 7 . 1 1 144 144 LEU HA H 144 3.933 3.933 3.968 -0.035 17850 5971 1 7 . 1 1 144 144 LEU C C 144 177.756 177.756 176.928 0.828 17850 5972 1 7 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.204 1.492 17850 5973 1 7 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.345 0.493 17850 5974 1 7 . 1 1 144 144 LEU H H 144 8.029 8.029 7.248 0.781 17850 5975 1 7 . 1 1 145 145 LEU N N 145 115.288 115.288 118.098 -2.810 17850 5976 1 7 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.395 -0.422 17850 5977 1 7 . 1 1 145 145 LEU C C 145 177.284 177.284 175.486 1.798 17850 5978 1 7 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.403 0.881 17850 5979 1 7 . 1 1 145 145 LEU CB C 145 41.610 41.610 41.630 -0.020 17850 5980 1 7 . 1 1 145 145 LEU H H 145 7.309 7.309 7.255 0.054 17850 5981 1 7 . 1 1 146 146 SER N N 146 114.503 114.503 118.480 -3.977 17850 5982 1 7 . 1 1 146 146 SER HA H 146 4.346 4.346 4.679 -0.333 17850 5983 1 7 . 1 1 146 146 SER C C 146 175.125 175.125 173.011 2.114 17850 5984 1 7 . 1 1 146 146 SER CA C 146 59.046 59.046 57.340 1.706 17850 5985 1 7 . 1 1 146 146 SER CB C 146 64.181 64.181 64.053 0.128 17850 5986 1 7 . 1 1 146 146 SER H H 146 7.506 7.506 7.534 -0.028 17850 5987 1 7 . 1 1 147 147 LYS N N 147 123.315 123.315 121.571 1.744 17850 5988 1 7 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.577 -0.410 17850 5989 1 7 . 1 1 147 147 LYS CA C 147 57.682 57.682 55.671 2.011 17850 5990 1 7 . 1 1 147 147 LYS H H 147 8.329 8.329 8.277 0.052 17850 5991 1 7 . 1 1 148 148 GLY N N 148 108.566 108.566 107.931 0.635 17850 5992 1 7 . 1 1 148 148 GLY C C 148 174.394 174.394 175.180 -0.786 17850 5993 1 7 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.581 -0.053 17850 5994 1 7 . 1 1 148 148 GLY H H 148 8.353 8.353 7.961 0.392 17850 5995 1 7 . 1 1 149 149 SER N N 149 115.356 115.356 115.517 -0.161 17850 5996 1 7 . 1 1 149 149 SER HA H 149 4.484 4.484 4.666 -0.182 17850 5997 1 7 . 1 1 149 149 SER C C 149 175.038 175.038 173.827 1.211 17850 5998 1 7 . 1 1 149 149 SER CA C 149 58.418 58.418 57.799 0.619 17850 5999 1 7 . 1 1 149 149 SER CB C 149 64.171 64.171 63.468 0.703 17850 6000 1 7 . 1 1 149 149 SER H H 149 7.993 7.993 7.998 -0.005 17850 6001 1 7 . 1 1 150 150 SER N N 150 118.028 118.028 113.401 4.627 17850 6002 1 7 . 1 1 150 150 SER HA H 150 4.490 4.490 4.724 -0.234 17850 6003 1 7 . 1 1 150 150 SER C C 150 175.034 175.034 173.530 1.504 17850 6004 1 7 . 1 1 150 150 SER CA C 150 59.029 59.029 56.632 2.397 17850 6005 1 7 . 1 1 150 150 SER CB C 150 63.407 63.407 65.160 -1.753 17850 6006 1 7 . 1 1 150 150 SER H H 150 8.530 8.530 7.512 1.018 17850 6007 1 8 . 1 1 1 1 GLY N N 1 109.911 109.911 111.152 -1.241 17850 6008 1 8 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.808 0.628 17850 6009 1 8 . 1 1 1 1 GLY H H 1 8.410 8.410 8.271 0.139 17850 6010 1 8 . 1 1 2 2 SER N N 2 115.579 115.579 117.195 -1.616 17850 6011 1 8 . 1 1 2 2 SER HA H 2 4.474 4.474 4.660 -0.186 17850 6012 1 8 . 1 1 2 2 SER C C 2 174.661 174.661 173.884 0.777 17850 6013 1 8 . 1 1 2 2 SER CA C 2 58.374 58.374 57.654 0.720 17850 6014 1 8 . 1 1 2 2 SER CB C 2 63.986 63.986 64.757 -0.770 17850 6015 1 8 . 1 1 2 2 SER H H 2 8.207 8.207 8.302 -0.095 17850 6016 1 8 . 1 1 3 3 SER N N 3 117.154 117.154 115.245 1.909 17850 6017 1 8 . 1 1 3 3 SER HA H 3 4.439 4.439 4.626 -0.187 17850 6018 1 8 . 1 1 3 3 SER C C 3 174.122 174.122 173.367 0.755 17850 6019 1 8 . 1 1 3 3 SER CA C 3 58.695 58.695 58.381 0.314 17850 6020 1 8 . 1 1 3 3 SER CB C 3 63.865 63.865 63.992 -0.127 17850 6021 1 8 . 1 1 3 3 SER H H 3 8.337 8.337 8.596 -0.259 17850 6022 1 8 . 1 1 4 4 ASN N N 4 120.145 120.145 118.393 1.752 17850 6023 1 8 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.131 -0.405 17850 6024 1 8 . 1 1 4 4 ASN C C 4 174.741 174.741 175.306 -0.565 17850 6025 1 8 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.933 1.393 17850 6026 1 8 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.653 -0.851 17850 6027 1 8 . 1 1 4 4 ASN H H 4 8.432 8.432 7.597 0.835 17850 6028 1 8 . 1 1 5 5 LEU N N 5 121.341 121.341 119.155 2.186 17850 6029 1 8 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.630 0.049 17850 6030 1 8 . 1 1 5 5 LEU C C 5 177.641 177.641 177.797 -0.156 17850 6031 1 8 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.666 1.799 17850 6032 1 8 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.599 -0.886 17850 6033 1 8 . 1 1 5 5 LEU H H 5 7.966 7.966 8.037 -0.071 17850 6034 1 8 . 1 1 6 6 THR N N 6 113.168 113.168 116.263 -3.095 17850 6035 1 8 . 1 1 6 6 THR HA H 6 4.470 4.470 3.958 0.512 17850 6036 1 8 . 1 1 6 6 THR C C 6 175.390 175.390 176.229 -0.839 17850 6037 1 8 . 1 1 6 6 THR CA C 6 60.543 60.543 65.295 -4.752 17850 6038 1 8 . 1 1 6 6 THR CB C 6 71.190 71.190 68.299 2.891 17850 6039 1 8 . 1 1 6 6 THR H H 6 8.716 8.716 8.889 -0.173 17850 6040 1 8 . 1 1 7 7 GLU N N 7 120.480 120.480 119.552 0.928 17850 6041 1 8 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.150 -0.165 17850 6042 1 8 . 1 1 7 7 GLU C C 7 179.475 179.475 179.583 -0.108 17850 6043 1 8 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.637 1.436 17850 6044 1 8 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.374 -0.081 17850 6045 1 8 . 1 1 7 7 GLU H H 7 8.997 8.997 7.840 1.157 17850 6046 1 8 . 1 1 8 8 GLU N N 8 119.766 119.766 119.351 0.415 17850 6047 1 8 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.113 -0.026 17850 6048 1 8 . 1 1 8 8 GLU C C 8 178.641 178.641 178.904 -0.263 17850 6049 1 8 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.858 0.977 17850 6050 1 8 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.445 -0.047 17850 6051 1 8 . 1 1 8 8 GLU H H 8 8.603 8.603 7.709 0.894 17850 6052 1 8 . 1 1 9 9 GLN N N 9 119.234 119.234 116.441 2.793 17850 6053 1 8 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.377 -0.448 17850 6054 1 8 . 1 1 9 9 GLN C C 9 178.969 178.969 177.988 0.981 17850 6055 1 8 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.215 2.503 17850 6056 1 8 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.535 3.047 17850 6057 1 8 . 1 1 9 9 GLN H H 9 7.730 7.730 8.304 -0.574 17850 6058 1 8 . 1 1 10 10 ILE N N 10 119.661 119.661 118.558 1.103 17850 6059 1 8 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.162 -0.399 17850 6060 1 8 . 1 1 10 10 ILE C C 10 178.040 178.040 177.463 0.577 17850 6061 1 8 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.261 2.960 17850 6062 1 8 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.575 0.377 17850 6063 1 8 . 1 1 10 10 ILE H H 10 8.398 8.398 8.214 0.184 17850 6064 1 8 . 1 1 11 11 ALA N N 11 121.678 121.678 122.903 -1.225 17850 6065 1 8 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.038 0.095 17850 6066 1 8 . 1 1 11 11 ALA C C 11 181.140 181.140 180.180 0.960 17850 6067 1 8 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.366 1.088 17850 6068 1 8 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.833 -0.921 17850 6069 1 8 . 1 1 11 11 ALA H H 11 8.037 8.037 7.544 0.493 17850 6070 1 8 . 1 1 12 12 GLU N N 12 118.175 118.175 118.214 -0.039 17850 6071 1 8 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.337 -0.219 17850 6072 1 8 . 1 1 12 12 GLU C C 12 180.185 180.185 178.746 1.439 17850 6073 1 8 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.167 0.028 17850 6074 1 8 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.720 0.659 17850 6075 1 8 . 1 1 12 12 GLU H H 12 7.869 7.869 7.460 0.409 17850 6076 1 8 . 1 1 13 13 PHE N N 13 119.011 119.011 119.192 -0.181 17850 6077 1 8 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.070 0.820 17850 6078 1 8 . 1 1 13 13 PHE C C 13 178.486 178.486 178.021 0.465 17850 6079 1 8 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.678 -1.228 17850 6080 1 8 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.511 0.388 17850 6081 1 8 . 1 1 13 13 PHE H H 13 8.429 8.429 8.042 0.387 17850 6082 1 8 . 1 1 14 14 LYS N N 14 123.459 123.459 118.764 4.695 17850 6083 1 8 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.144 -0.113 17850 6084 1 8 . 1 1 14 14 LYS C C 14 179.131 179.131 179.177 -0.046 17850 6085 1 8 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.947 1.543 17850 6086 1 8 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.247 -0.334 17850 6087 1 8 . 1 1 14 14 LYS H H 14 8.925 8.925 8.031 0.894 17850 6088 1 8 . 1 1 15 15 GLU N N 15 119.581 119.581 119.689 -0.108 17850 6089 1 8 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.285 -0.117 17850 6090 1 8 . 1 1 15 15 GLU C C 15 179.163 179.163 178.035 1.128 17850 6091 1 8 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.242 0.143 17850 6092 1 8 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.319 0.068 17850 6093 1 8 . 1 1 15 15 GLU H H 15 8.064 8.064 8.012 0.052 17850 6094 1 8 . 1 1 16 16 ALA N N 16 120.993 120.993 120.808 0.185 17850 6095 1 8 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.186 1.056 17850 6096 1 8 . 1 1 16 16 ALA C C 16 177.628 177.628 178.082 -0.454 17850 6097 1 8 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.531 2.654 17850 6098 1 8 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.487 -1.563 17850 6099 1 8 . 1 1 16 16 ALA H H 16 7.801 7.801 7.970 -0.169 17850 6100 1 8 . 1 1 17 17 PHE N N 17 118.745 118.745 119.506 -0.761 17850 6101 1 8 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.216 -0.862 17850 6102 1 8 . 1 1 17 17 PHE C C 17 177.500 177.500 176.785 0.715 17850 6103 1 8 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.906 1.794 17850 6104 1 8 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.112 1.866 17850 6105 1 8 . 1 1 17 17 PHE H H 17 8.469 8.469 8.270 0.199 17850 6106 1 8 . 1 1 18 18 ALA N N 18 119.942 119.942 118.176 1.766 17850 6107 1 8 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.783 0.227 17850 6108 1 8 . 1 1 18 18 ALA C C 18 178.535 178.535 178.303 0.232 17850 6109 1 8 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.217 0.199 17850 6110 1 8 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.435 0.052 17850 6111 1 8 . 1 1 18 18 ALA H H 18 8.187 8.187 7.200 0.987 17850 6112 1 8 . 1 1 19 19 LEU N N 19 116.851 116.851 114.858 1.993 17850 6113 1 8 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.260 -0.300 17850 6114 1 8 . 1 1 19 19 LEU C C 19 176.795 176.795 177.259 -0.464 17850 6115 1 8 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.853 2.582 17850 6116 1 8 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.007 -1.325 17850 6117 1 8 . 1 1 19 19 LEU H H 19 7.254 7.254 7.291 -0.037 17850 6118 1 8 . 1 1 20 20 PHE N N 20 111.977 111.977 120.634 -8.657 17850 6119 1 8 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.081 0.178 17850 6120 1 8 . 1 1 20 20 PHE C C 20 177.033 177.033 176.604 0.429 17850 6121 1 8 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.169 -0.513 17850 6122 1 8 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.838 4.326 17850 6123 1 8 . 1 1 20 20 PHE H H 20 7.041 7.041 7.770 -0.729 17850 6124 1 8 . 1 1 21 21 ASP N N 21 116.981 116.981 124.508 -7.527 17850 6125 1 8 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.387 0.198 17850 6126 1 8 . 1 1 21 21 ASP C C 21 177.297 177.297 177.262 0.035 17850 6127 1 8 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.020 -3.349 17850 6128 1 8 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.483 -1.481 17850 6129 1 8 . 1 1 21 21 ASP H H 21 7.567 7.567 8.135 -0.568 17850 6130 1 8 . 1 1 22 22 LYS N N 22 124.748 124.748 115.661 9.087 17850 6131 1 8 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.185 -0.193 17850 6132 1 8 . 1 1 22 22 LYS C C 22 177.866 177.866 175.557 2.309 17850 6133 1 8 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.296 1.937 17850 6134 1 8 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.344 0.283 17850 6135 1 8 . 1 1 22 22 LYS H H 22 7.820 7.820 8.271 -0.451 17850 6136 1 8 . 1 1 23 23 ASP N N 23 114.211 114.211 116.917 -2.706 17850 6137 1 8 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.430 0.173 17850 6138 1 8 . 1 1 23 23 ASP C C 23 176.266 176.266 175.474 0.792 17850 6139 1 8 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.918 -2.271 17850 6140 1 8 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.653 -0.370 17850 6141 1 8 . 1 1 23 23 ASP H H 23 8.025 8.025 8.277 -0.252 17850 6142 1 8 . 1 1 24 24 ASN N N 24 115.587 115.587 116.790 -1.203 17850 6143 1 8 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.746 -0.357 17850 6144 1 8 . 1 1 24 24 ASN C C 24 174.828 174.828 176.119 -1.291 17850 6145 1 8 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.414 2.092 17850 6146 1 8 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.819 -0.788 17850 6147 1 8 . 1 1 24 24 ASN H H 24 7.962 7.962 8.066 -0.104 17850 6148 1 8 . 1 1 25 25 ASN N N 25 117.385 117.385 118.927 -1.542 17850 6149 1 8 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.684 0.164 17850 6150 1 8 . 1 1 25 25 ASN C C 25 177.553 177.553 174.474 3.079 17850 6151 1 8 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.297 -0.982 17850 6152 1 8 . 1 1 25 25 ASN H H 25 8.489 8.489 8.053 0.436 17850 6153 1 8 . 1 1 26 26 GLY N N 26 113.934 113.934 106.438 7.496 17850 6154 1 8 . 1 1 26 26 GLY C C 26 173.371 173.371 173.589 -0.218 17850 6155 1 8 . 1 1 26 26 GLY CA C 26 45.538 45.538 44.997 0.541 17850 6156 1 8 . 1 1 26 26 GLY H H 26 10.580 10.580 8.272 2.308 17850 6157 1 8 . 1 1 27 27 SER N N 27 113.842 113.842 121.847 -8.005 17850 6158 1 8 . 1 1 27 27 SER HA H 27 5.358 5.358 4.884 0.474 17850 6159 1 8 . 1 1 27 27 SER C C 27 172.645 172.645 175.201 -2.556 17850 6160 1 8 . 1 1 27 27 SER CA C 27 57.474 57.474 57.344 0.130 17850 6161 1 8 . 1 1 27 27 SER CB C 27 66.576 66.576 63.362 3.214 17850 6162 1 8 . 1 1 27 27 SER H H 27 7.793 7.793 9.125 -1.332 17850 6163 1 8 . 1 1 28 28 ILE N N 28 127.597 127.597 127.985 -0.388 17850 6164 1 8 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.422 0.403 17850 6165 1 8 . 1 1 28 28 ILE C C 28 175.890 175.890 177.625 -1.735 17850 6166 1 8 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.320 -0.144 17850 6167 1 8 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.818 -0.723 17850 6168 1 8 . 1 1 28 28 ILE H H 28 9.787 9.787 9.186 0.601 17850 6169 1 8 . 1 1 29 29 SER N N 29 124.860 124.860 117.756 7.104 17850 6170 1 8 . 1 1 29 29 SER HA H 29 4.813 4.813 4.093 0.720 17850 6171 1 8 . 1 1 29 29 SER C C 29 175.477 175.477 176.525 -1.048 17850 6172 1 8 . 1 1 29 29 SER CA C 29 56.583 56.583 61.163 -4.580 17850 6173 1 8 . 1 1 29 29 SER CB C 29 66.269 66.269 62.368 3.901 17850 6174 1 8 . 1 1 29 29 SER H H 29 9.320 9.320 8.292 1.028 17850 6175 1 8 . 1 1 30 30 SER N N 30 117.383 117.383 116.599 0.784 17850 6176 1 8 . 1 1 30 30 SER HA H 30 4.141 4.141 4.515 -0.374 17850 6177 1 8 . 1 1 30 30 SER C C 30 176.531 176.531 175.524 1.007 17850 6178 1 8 . 1 1 30 30 SER CA C 30 62.690 62.690 60.298 2.392 17850 6179 1 8 . 1 1 30 30 SER CB C 30 62.264 62.264 63.510 -1.246 17850 6180 1 8 . 1 1 30 30 SER H H 30 9.554 9.554 8.145 1.409 17850 6181 1 8 . 1 1 31 31 SER N N 31 116.232 116.232 116.205 0.027 17850 6182 1 8 . 1 1 31 31 SER HA H 31 4.309 4.309 4.341 -0.032 17850 6183 1 8 . 1 1 31 31 SER C C 31 178.017 178.017 175.562 2.455 17850 6184 1 8 . 1 1 31 31 SER CA C 31 61.332 61.332 60.137 1.195 17850 6185 1 8 . 1 1 31 31 SER CB C 31 62.512 62.512 63.846 -1.334 17850 6186 1 8 . 1 1 31 31 SER H H 31 8.141 8.141 8.158 -0.017 17850 6187 1 8 . 1 1 32 32 GLU N N 32 125.663 125.663 118.697 6.966 17850 6188 1 8 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.399 -0.346 17850 6189 1 8 . 1 1 32 32 GLU C C 32 179.222 179.222 178.208 1.014 17850 6190 1 8 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.181 0.518 17850 6191 1 8 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.941 -0.688 17850 6192 1 8 . 1 1 32 32 GLU H H 32 7.947 7.947 8.642 -0.695 17850 6193 1 8 . 1 1 33 33 LEU N N 33 120.624 120.624 119.443 1.181 17850 6194 1 8 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.088 0.080 17850 6195 1 8 . 1 1 33 33 LEU C C 33 178.493 178.493 178.474 0.019 17850 6196 1 8 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.301 1.606 17850 6197 1 8 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.154 1.163 17850 6198 1 8 . 1 1 33 33 LEU H H 33 8.424 8.424 7.730 0.694 17850 6199 1 8 . 1 1 34 34 ALA N N 34 119.635 119.635 120.933 -1.298 17850 6200 1 8 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.024 -0.200 17850 6201 1 8 . 1 1 34 34 ALA C C 34 179.360 179.360 178.377 0.983 17850 6202 1 8 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.101 -0.505 17850 6203 1 8 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.953 -0.276 17850 6204 1 8 . 1 1 34 34 ALA H H 34 8.410 8.410 8.003 0.407 17850 6205 1 8 . 1 1 35 35 THR N N 35 114.602 114.602 116.165 -1.563 17850 6206 1 8 . 1 1 35 35 THR HA H 35 3.886 3.886 4.044 -0.158 17850 6207 1 8 . 1 1 35 35 THR C C 35 177.278 177.278 175.905 1.373 17850 6208 1 8 . 1 1 35 35 THR CA C 35 67.317 67.317 64.695 2.622 17850 6209 1 8 . 1 1 35 35 THR CB C 35 68.774 68.774 69.002 -0.229 17850 6210 1 8 . 1 1 35 35 THR H H 35 8.263 8.263 7.863 0.400 17850 6211 1 8 . 1 1 36 36 VAL N N 36 122.295 122.295 118.057 4.238 17850 6212 1 8 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.517 0.088 17850 6213 1 8 . 1 1 36 36 VAL C C 36 178.653 178.653 178.193 0.460 17850 6214 1 8 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.888 -0.150 17850 6215 1 8 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.137 0.167 17850 6216 1 8 . 1 1 36 36 VAL H H 36 7.790 7.790 7.697 0.093 17850 6217 1 8 . 1 1 37 37 MET N N 37 117.677 117.677 117.290 0.387 17850 6218 1 8 . 1 1 37 37 MET HA H 37 3.642 3.642 4.394 -0.752 17850 6219 1 8 . 1 1 37 37 MET C C 37 178.172 178.172 179.090 -0.918 17850 6220 1 8 . 1 1 37 37 MET CA C 37 60.506 60.506 58.184 2.322 17850 6221 1 8 . 1 1 37 37 MET CB C 37 32.347 32.347 31.755 0.592 17850 6222 1 8 . 1 1 37 37 MET H H 37 8.081 8.081 7.889 0.192 17850 6223 1 8 . 1 1 38 38 ARG N N 38 118.309 118.309 120.960 -2.651 17850 6224 1 8 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.050 0.638 17850 6225 1 8 . 1 1 38 38 ARG C C 38 181.486 181.486 177.090 4.396 17850 6226 1 8 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.935 0.166 17850 6227 1 8 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.248 0.764 17850 6228 1 8 . 1 1 38 38 ARG H H 38 8.547 8.547 7.467 1.080 17850 6229 1 8 . 1 1 39 39 SER N N 39 119.250 119.250 110.027 9.223 17850 6230 1 8 . 1 1 39 39 SER HA H 39 4.301 4.301 4.325 -0.024 17850 6231 1 8 . 1 1 39 39 SER C C 39 174.899 174.899 174.785 0.114 17850 6232 1 8 . 1 1 39 39 SER CA C 39 61.925 61.925 58.748 3.177 17850 6233 1 8 . 1 1 39 39 SER CB C 39 62.773 62.773 63.660 -0.887 17850 6234 1 8 . 1 1 39 39 SER H H 39 8.226 8.226 7.717 0.509 17850 6235 1 8 . 1 1 40 40 LEU N N 40 119.516 119.516 116.460 3.056 17850 6236 1 8 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.012 0.258 17850 6237 1 8 . 1 1 40 40 LEU C C 40 176.681 176.681 176.323 0.358 17850 6238 1 8 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.193 0.390 17850 6239 1 8 . 1 1 40 40 LEU H H 40 7.343 7.343 7.772 -0.429 17850 6240 1 8 . 1 1 41 41 GLY N N 41 105.983 105.983 107.434 -1.451 17850 6241 1 8 . 1 1 41 41 GLY C C 41 174.471 174.471 175.270 -0.799 17850 6242 1 8 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.706 0.533 17850 6243 1 8 . 1 1 41 41 GLY H H 41 7.858 7.858 7.899 -0.041 17850 6244 1 8 . 1 1 42 42 LEU N N 42 120.442 120.442 118.958 1.484 17850 6245 1 8 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.600 -0.129 17850 6246 1 8 . 1 1 42 42 LEU C C 42 175.965 175.965 174.557 1.408 17850 6247 1 8 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.196 1.049 17850 6248 1 8 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.888 -0.357 17850 6249 1 8 . 1 1 42 42 LEU H H 42 7.707 7.707 8.458 -0.751 17850 6250 1 8 . 1 1 43 43 SER HA H 43 4.798 4.798 4.667 0.131 17850 6251 1 8 . 1 1 43 43 SER CA C 43 54.912 54.912 57.741 -2.829 17850 6252 1 8 . 1 1 43 43 SER CB C 43 63.197 63.197 63.351 -0.154 17850 6253 1 8 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.527 0.265 17850 6254 1 8 . 1 1 44 44 PRO CA C 44 61.881 61.881 61.870 0.011 17850 6255 1 8 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.174 -0.974 17850 6256 1 8 . 1 1 45 45 SER N N 45 119.898 119.898 122.579 -2.681 17850 6257 1 8 . 1 1 45 45 SER HA H 45 4.611 4.611 3.969 0.642 17850 6258 1 8 . 1 1 45 45 SER C C 45 174.913 174.913 176.286 -1.373 17850 6259 1 8 . 1 1 45 45 SER CA C 45 56.689 56.689 61.746 -5.057 17850 6260 1 8 . 1 1 45 45 SER CB C 45 65.502 65.502 63.486 2.017 17850 6261 1 8 . 1 1 45 45 SER H H 45 9.387 9.387 9.068 0.319 17850 6262 1 8 . 1 1 46 46 GLU N N 46 121.468 121.468 118.491 2.977 17850 6263 1 8 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.196 -0.257 17850 6264 1 8 . 1 1 46 46 GLU C C 46 179.002 179.002 178.972 0.030 17850 6265 1 8 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.312 0.823 17850 6266 1 8 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.742 0.605 17850 6267 1 8 . 1 1 46 46 GLU H H 46 8.913 8.913 8.564 0.349 17850 6268 1 8 . 1 1 47 47 ALA N N 47 121.115 121.115 121.605 -0.490 17850 6269 1 8 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.175 -0.023 17850 6270 1 8 . 1 1 47 47 ALA C C 47 179.962 179.962 180.249 -0.287 17850 6271 1 8 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.677 0.441 17850 6272 1 8 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.114 -0.759 17850 6273 1 8 . 1 1 47 47 ALA H H 47 8.324 8.324 7.867 0.457 17850 6274 1 8 . 1 1 48 48 GLU N N 48 118.713 118.713 119.742 -1.029 17850 6275 1 8 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.844 0.260 17850 6276 1 8 . 1 1 48 48 GLU C C 48 179.558 179.558 178.416 1.142 17850 6277 1 8 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.039 -1.821 17850 6278 1 8 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.707 1.197 17850 6279 1 8 . 1 1 48 48 GLU H H 48 7.756 7.756 8.901 -1.145 17850 6280 1 8 . 1 1 49 49 VAL N N 49 119.108 119.108 119.865 -0.757 17850 6281 1 8 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.816 -0.352 17850 6282 1 8 . 1 1 49 49 VAL C C 49 177.505 177.505 178.145 -0.640 17850 6283 1 8 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.451 2.019 17850 6284 1 8 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.105 0.336 17850 6285 1 8 . 1 1 49 49 VAL H H 49 8.129 8.129 7.851 0.278 17850 6286 1 8 . 1 1 50 50 ASN N N 50 117.942 117.942 118.577 -0.635 17850 6287 1 8 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.519 -0.131 17850 6288 1 8 . 1 1 50 50 ASN C C 50 177.275 177.275 177.094 0.181 17850 6289 1 8 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.340 1.441 17850 6290 1 8 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.398 -0.001 17850 6291 1 8 . 1 1 50 50 ASN H H 50 8.071 8.071 7.682 0.389 17850 6292 1 8 . 1 1 51 51 ASP N N 51 120.669 120.669 118.375 2.294 17850 6293 1 8 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.588 -0.097 17850 6294 1 8 . 1 1 51 51 ASP C C 51 179.203 179.203 178.206 0.997 17850 6295 1 8 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.077 1.518 17850 6296 1 8 . 1 1 51 51 ASP CB C 51 40.314 40.314 40.903 -0.589 17850 6297 1 8 . 1 1 51 51 ASP H H 51 8.364 8.364 8.305 0.059 17850 6298 1 8 . 1 1 52 52 LEU N N 52 122.409 122.409 117.116 5.293 17850 6299 1 8 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.246 -0.176 17850 6300 1 8 . 1 1 52 52 LEU C C 52 179.017 179.017 177.758 1.259 17850 6301 1 8 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.536 0.921 17850 6302 1 8 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.834 0.248 17850 6303 1 8 . 1 1 52 52 LEU H H 52 8.018 8.018 8.491 -0.473 17850 6304 1 8 . 1 1 53 53 MET N N 53 117.391 117.391 117.714 -0.323 17850 6305 1 8 . 1 1 53 53 MET HA H 53 4.112 4.112 4.475 -0.363 17850 6306 1 8 . 1 1 53 53 MET CA C 53 57.472 57.472 57.176 0.296 17850 6307 1 8 . 1 1 53 53 MET CB C 53 30.021 30.021 33.204 -3.183 17850 6308 1 8 . 1 1 53 53 MET H H 53 8.562 8.562 8.436 0.126 17850 6309 1 8 . 1 1 54 54 ASN N N 54 115.554 115.554 116.413 -0.859 17850 6310 1 8 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.738 -0.180 17850 6311 1 8 . 1 1 54 54 ASN C C 54 176.801 176.801 175.637 1.164 17850 6312 1 8 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.118 2.179 17850 6313 1 8 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.023 -0.865 17850 6314 1 8 . 1 1 54 54 ASN H H 54 8.204 8.204 7.663 0.541 17850 6315 1 8 . 1 1 55 55 GLU N N 55 117.659 117.659 115.415 2.244 17850 6316 1 8 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.368 -0.166 17850 6317 1 8 . 1 1 55 55 GLU C C 55 177.093 177.093 176.748 0.345 17850 6318 1 8 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.569 2.258 17850 6319 1 8 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.721 -0.701 17850 6320 1 8 . 1 1 55 55 GLU H H 55 7.617 7.617 7.260 0.357 17850 6321 1 8 . 1 1 56 56 ILE N N 56 117.618 117.618 123.359 -5.741 17850 6322 1 8 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.096 -0.212 17850 6323 1 8 . 1 1 56 56 ILE C C 56 176.029 176.029 176.839 -0.810 17850 6324 1 8 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.711 0.103 17850 6325 1 8 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.413 1.515 17850 6326 1 8 . 1 1 56 56 ILE H H 56 7.472 7.472 7.875 -0.403 17850 6327 1 8 . 1 1 57 57 ASP N N 57 118.636 118.636 123.457 -4.821 17850 6328 1 8 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.469 -0.057 17850 6329 1 8 . 1 1 57 57 ASP C C 57 175.691 175.691 175.862 -0.171 17850 6330 1 8 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.415 -0.882 17850 6331 1 8 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.438 0.806 17850 6332 1 8 . 1 1 57 57 ASP H H 57 8.304 8.304 8.856 -0.552 17850 6333 1 8 . 1 1 58 58 VAL N N 58 126.376 126.376 117.150 9.226 17850 6334 1 8 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.170 -0.176 17850 6335 1 8 . 1 1 58 58 VAL C C 58 177.258 177.258 176.477 0.781 17850 6336 1 8 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.800 2.534 17850 6337 1 8 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.346 0.961 17850 6338 1 8 . 1 1 58 58 VAL H H 58 7.926 7.926 7.383 0.543 17850 6339 1 8 . 1 1 59 59 ASP N N 59 117.093 117.093 120.815 -3.722 17850 6340 1 8 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.314 0.243 17850 6341 1 8 . 1 1 59 59 ASP C C 59 177.759 177.759 176.467 1.292 17850 6342 1 8 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.652 -0.776 17850 6343 1 8 . 1 1 59 59 ASP H H 59 8.363 8.363 8.431 -0.068 17850 6344 1 8 . 1 1 60 60 GLY N N 60 108.290 108.290 108.735 -0.445 17850 6345 1 8 . 1 1 60 60 GLY C C 60 174.700 174.700 175.288 -0.588 17850 6346 1 8 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.848 3.272 17850 6347 1 8 . 1 1 60 60 GLY H H 60 7.636 7.636 8.537 -0.901 17850 6348 1 8 . 1 1 61 61 ASN N N 61 118.884 118.884 116.175 2.709 17850 6349 1 8 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.230 0.299 17850 6350 1 8 . 1 1 61 61 ASN C C 61 175.856 175.856 172.873 2.983 17850 6351 1 8 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.904 -2.544 17850 6352 1 8 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.489 0.688 17850 6353 1 8 . 1 1 61 61 ASN H H 61 8.078 8.078 8.518 -0.440 17850 6354 1 8 . 1 1 62 62 HIS N N 62 117.381 117.381 112.673 4.708 17850 6355 1 8 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.109 -1.232 17850 6356 1 8 . 1 1 62 62 HIS C C 62 172.310 172.310 173.776 -1.466 17850 6357 1 8 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.302 2.071 17850 6358 1 8 . 1 1 62 62 HIS CB C 62 26.734 26.734 34.978 -8.244 17850 6359 1 8 . 1 1 62 62 HIS H H 62 9.958 9.958 8.409 1.549 17850 6360 1 8 . 1 1 63 63 GLN N N 63 112.906 112.906 120.982 -8.076 17850 6361 1 8 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.015 -0.183 17850 6362 1 8 . 1 1 63 63 GLN C C 63 174.861 174.861 176.104 -1.243 17850 6363 1 8 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.574 -0.699 17850 6364 1 8 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.076 2.074 17850 6365 1 8 . 1 1 63 63 GLN H H 63 7.535 7.535 8.404 -0.869 17850 6366 1 8 . 1 1 64 64 ILE N N 64 124.083 124.083 127.133 -3.050 17850 6367 1 8 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.733 0.339 17850 6368 1 8 . 1 1 64 64 ILE C C 64 176.670 176.670 176.215 0.455 17850 6369 1 8 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.288 0.383 17850 6370 1 8 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.358 -2.191 17850 6371 1 8 . 1 1 64 64 ILE H H 64 9.274 9.274 9.187 0.087 17850 6372 1 8 . 1 1 65 65 GLU N N 65 129.276 129.276 121.327 7.949 17850 6373 1 8 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.460 2.580 17850 6374 1 8 . 1 1 65 65 GLU C C 65 178.156 178.156 176.702 1.454 17850 6375 1 8 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.138 0.710 17850 6376 1 8 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.543 1.637 17850 6377 1 8 . 1 1 65 65 GLU H H 65 8.848 8.848 9.070 -0.222 17850 6378 1 8 . 1 1 66 66 PHE N N 66 124.260 124.260 118.982 5.278 17850 6379 1 8 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.932 -0.242 17850 6380 1 8 . 1 1 66 66 PHE C C 66 177.294 177.294 177.128 0.166 17850 6381 1 8 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.219 1.801 17850 6382 1 8 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.343 -0.390 17850 6383 1 8 . 1 1 66 66 PHE H H 66 9.353 9.353 7.635 1.718 17850 6384 1 8 . 1 1 67 67 SER N N 67 112.827 112.827 118.161 -5.334 17850 6385 1 8 . 1 1 67 67 SER HA H 67 3.726 3.726 4.059 -0.333 17850 6386 1 8 . 1 1 67 67 SER C C 67 177.352 177.352 176.438 0.914 17850 6387 1 8 . 1 1 67 67 SER CA C 67 61.581 61.581 61.173 0.408 17850 6388 1 8 . 1 1 67 67 SER CB C 67 61.379 61.379 62.898 -1.519 17850 6389 1 8 . 1 1 67 67 SER H H 67 9.035 9.035 7.959 1.076 17850 6390 1 8 . 1 1 68 68 GLU N N 68 123.071 123.071 119.919 3.152 17850 6391 1 8 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.942 0.193 17850 6392 1 8 . 1 1 68 68 GLU C C 68 178.895 178.895 177.668 1.227 17850 6393 1 8 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.093 -2.115 17850 6394 1 8 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.131 -0.854 17850 6395 1 8 . 1 1 68 68 GLU H H 68 6.829 6.829 8.628 -1.799 17850 6396 1 8 . 1 1 69 69 PHE N N 69 123.805 123.805 117.313 6.492 17850 6397 1 8 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.908 -0.009 17850 6398 1 8 . 1 1 69 69 PHE C C 69 176.325 176.325 176.167 0.158 17850 6399 1 8 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.364 1.062 17850 6400 1 8 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.874 2.554 17850 6401 1 8 . 1 1 69 69 PHE H H 69 8.245 8.245 7.429 0.816 17850 6402 1 8 . 1 1 70 70 LEU N N 70 119.210 119.210 119.675 -0.465 17850 6403 1 8 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.926 -0.690 17850 6404 1 8 . 1 1 70 70 LEU C C 70 179.131 179.131 177.906 1.225 17850 6405 1 8 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.895 0.582 17850 6406 1 8 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.274 0.054 17850 6407 1 8 . 1 1 70 70 LEU H H 70 8.788 8.788 7.606 1.182 17850 6408 1 8 . 1 1 71 71 ALA N N 71 121.612 121.612 121.684 -0.072 17850 6409 1 8 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.946 -0.037 17850 6410 1 8 . 1 1 71 71 ALA C C 71 179.804 179.804 179.193 0.611 17850 6411 1 8 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.812 0.304 17850 6412 1 8 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.789 -1.027 17850 6413 1 8 . 1 1 71 71 ALA H H 71 7.365 7.365 7.410 -0.045 17850 6414 1 8 . 1 1 72 72 LEU N N 72 118.944 118.944 117.956 0.988 17850 6415 1 8 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.895 0.069 17850 6416 1 8 . 1 1 72 72 LEU C C 72 178.415 178.415 178.929 -0.514 17850 6417 1 8 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.884 -0.067 17850 6418 1 8 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.314 0.154 17850 6419 1 8 . 1 1 72 72 LEU H H 72 7.142 7.142 7.414 -0.272 17850 6420 1 8 . 1 1 73 73 MET N N 73 114.500 114.500 116.680 -2.180 17850 6421 1 8 . 1 1 73 73 MET HA H 73 3.978 3.978 4.365 -0.387 17850 6422 1 8 . 1 1 73 73 MET C C 73 178.283 178.283 176.347 1.936 17850 6423 1 8 . 1 1 73 73 MET CA C 73 55.701 55.701 55.266 0.435 17850 6424 1 8 . 1 1 73 73 MET CB C 73 30.742 30.742 32.329 -1.587 17850 6425 1 8 . 1 1 73 73 MET H H 73 7.726 7.726 7.404 0.322 17850 6426 1 8 . 1 1 74 74 SER N N 74 112.626 112.626 114.855 -2.229 17850 6427 1 8 . 1 1 74 74 SER HA H 74 4.287 4.287 4.609 -0.322 17850 6428 1 8 . 1 1 74 74 SER C C 74 174.717 174.717 173.537 1.180 17850 6429 1 8 . 1 1 74 74 SER CA C 74 59.582 59.582 58.005 1.577 17850 6430 1 8 . 1 1 74 74 SER CB C 74 63.746 63.746 63.784 -0.038 17850 6431 1 8 . 1 1 74 74 SER H H 74 7.857 7.857 8.220 -0.362 17850 6432 1 8 . 1 1 75 75 ARG N N 75 122.130 122.130 118.241 3.889 17850 6433 1 8 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.424 -0.277 17850 6434 1 8 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.844 0.931 17850 6435 1 8 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.043 -1.377 17850 6436 1 8 . 1 1 75 75 ARG H H 75 7.208 7.208 7.611 -0.403 17850 6437 1 8 . 1 1 76 76 GLN N N 76 121.749 121.749 119.335 2.414 17850 6438 1 8 . 1 1 76 76 GLN HA H 76 4.284 4.284 3.976 0.308 17850 6439 1 8 . 1 1 76 76 GLN CA C 76 56.193 56.193 59.034 -2.841 17850 6440 1 8 . 1 1 76 76 GLN CB C 76 29.057 29.057 28.083 0.974 17850 6441 1 8 . 1 1 76 76 GLN H H 76 8.327 8.327 7.827 0.500 17850 6442 1 8 . 1 1 77 77 LEU N N 77 124.093 124.093 116.608 7.485 17850 6443 1 8 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.036 0.403 17850 6444 1 8 . 1 1 77 77 LEU C C 77 177.670 177.670 176.381 1.289 17850 6445 1 8 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.717 -0.434 17850 6446 1 8 . 1 1 77 77 LEU CB C 77 42.780 42.780 40.648 2.132 17850 6447 1 8 . 1 1 77 77 LEU H H 77 8.264 8.264 8.369 -0.105 17850 6448 1 8 . 1 1 78 78 LYS N N 78 121.053 121.053 116.038 5.015 17850 6449 1 8 . 1 1 78 78 LYS HA H 78 4.407 4.407 3.935 0.472 17850 6450 1 8 . 1 1 78 78 LYS CA C 78 56.185 56.185 58.027 -1.842 17850 6451 1 8 . 1 1 78 78 LYS CB C 78 33.277 33.277 31.925 1.352 17850 6452 1 8 . 1 1 78 78 LYS H H 78 8.433 8.433 8.371 0.062 17850 6453 1 8 . 1 1 79 79 SER N N 79 116.423 116.423 112.953 3.470 17850 6454 1 8 . 1 1 79 79 SER HA H 79 4.321 4.321 4.607 -0.286 17850 6455 1 8 . 1 1 79 79 SER C C 79 175.145 175.145 174.602 0.543 17850 6456 1 8 . 1 1 79 79 SER CA C 79 59.795 59.795 58.764 1.032 17850 6457 1 8 . 1 1 79 79 SER CB C 79 63.226 63.226 64.585 -1.359 17850 6458 1 8 . 1 1 79 79 SER H H 79 8.448 8.448 8.286 0.162 17850 6459 1 8 . 1 1 80 80 ASN N N 80 119.581 119.581 119.576 0.005 17850 6460 1 8 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.813 -0.114 17850 6461 1 8 . 1 1 80 80 ASN C C 80 175.726 175.726 177.360 -1.634 17850 6462 1 8 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.387 -0.974 17850 6463 1 8 . 1 1 80 80 ASN CB C 80 38.588 38.588 39.225 -0.637 17850 6464 1 8 . 1 1 80 80 ASN H H 80 8.513 8.513 8.182 0.331 17850 6465 1 8 . 1 1 81 81 ASP N N 81 120.378 120.378 119.510 0.868 17850 6466 1 8 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.513 0.117 17850 6467 1 8 . 1 1 81 81 ASP C C 81 177.281 177.281 177.378 -0.097 17850 6468 1 8 . 1 1 81 81 ASP CA C 81 55.593 55.593 56.814 -1.221 17850 6469 1 8 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.255 1.351 17850 6470 1 8 . 1 1 81 81 ASP H H 81 7.957 7.957 8.349 -0.392 17850 6471 1 8 . 1 1 82 82 SER N N 82 117.046 117.046 114.800 2.246 17850 6472 1 8 . 1 1 82 82 SER HA H 82 4.194 4.194 4.461 -0.267 17850 6473 1 8 . 1 1 82 82 SER C C 82 176.745 176.745 175.836 0.909 17850 6474 1 8 . 1 1 82 82 SER CA C 82 61.376 61.376 61.386 -0.011 17850 6475 1 8 . 1 1 82 82 SER CB C 82 62.896 62.896 63.314 -0.418 17850 6476 1 8 . 1 1 82 82 SER H H 82 8.469 8.469 8.345 0.124 17850 6477 1 8 . 1 1 83 83 GLU N N 83 122.405 122.405 119.071 3.334 17850 6478 1 8 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.173 -0.073 17850 6479 1 8 . 1 1 83 83 GLU C C 83 178.740 178.740 178.799 -0.059 17850 6480 1 8 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.739 -0.274 17850 6481 1 8 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.907 -0.503 17850 6482 1 8 . 1 1 83 83 GLU H H 83 8.357 8.357 7.683 0.674 17850 6483 1 8 . 1 1 84 84 GLN N N 84 118.604 118.604 120.488 -1.884 17850 6484 1 8 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.099 0.010 17850 6485 1 8 . 1 1 84 84 GLN C C 84 178.533 178.533 178.722 -0.189 17850 6486 1 8 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.631 -0.164 17850 6487 1 8 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.388 1.033 17850 6488 1 8 . 1 1 84 84 GLN H H 84 7.988 7.988 8.230 -0.242 17850 6489 1 8 . 1 1 85 85 GLU N N 85 119.418 119.418 118.457 0.961 17850 6490 1 8 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.278 -0.336 17850 6491 1 8 . 1 1 85 85 GLU C C 85 178.250 178.250 178.959 -0.709 17850 6492 1 8 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.361 0.763 17850 6493 1 8 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.667 -0.095 17850 6494 1 8 . 1 1 85 85 GLU H H 85 8.228 8.228 7.617 0.611 17850 6495 1 8 . 1 1 86 86 LEU N N 86 120.010 120.010 117.631 2.379 17850 6496 1 8 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.151 0.008 17850 6497 1 8 . 1 1 86 86 LEU C C 86 178.534 178.534 178.916 -0.382 17850 6498 1 8 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.527 -0.320 17850 6499 1 8 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.907 0.719 17850 6500 1 8 . 1 1 86 86 LEU H H 86 7.797 7.797 7.575 0.222 17850 6501 1 8 . 1 1 87 87 LEU N N 87 119.111 119.111 120.092 -0.981 17850 6502 1 8 . 1 1 87 87 LEU HA H 87 4.104 4.104 3.963 0.141 17850 6503 1 8 . 1 1 87 87 LEU C C 87 179.333 179.333 179.431 -0.098 17850 6504 1 8 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.230 0.013 17850 6505 1 8 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.603 0.163 17850 6506 1 8 . 1 1 87 87 LEU H H 87 7.825 7.825 8.832 -1.007 17850 6507 1 8 . 1 1 88 88 GLU N N 88 117.514 117.514 118.734 -1.220 17850 6508 1 8 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.471 -0.370 17850 6509 1 8 . 1 1 88 88 GLU C C 88 179.461 179.461 178.326 1.135 17850 6510 1 8 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.853 0.163 17850 6511 1 8 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.552 -0.881 17850 6512 1 8 . 1 1 88 88 GLU H H 88 8.265 8.265 8.344 -0.079 17850 6513 1 8 . 1 1 89 89 ALA N N 89 120.734 120.734 124.601 -3.867 17850 6514 1 8 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.225 0.942 17850 6515 1 8 . 1 1 89 89 ALA C C 89 178.362 178.362 178.572 -0.210 17850 6516 1 8 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.120 0.957 17850 6517 1 8 . 1 1 89 89 ALA CB C 89 17.983 17.983 18.883 -0.900 17850 6518 1 8 . 1 1 89 89 ALA H H 89 8.192 8.192 8.365 -0.173 17850 6519 1 8 . 1 1 90 90 PHE N N 90 119.339 119.339 118.554 0.785 17850 6520 1 8 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.938 -0.739 17850 6521 1 8 . 1 1 90 90 PHE C C 90 177.497 177.497 177.653 -0.156 17850 6522 1 8 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.121 1.064 17850 6523 1 8 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.269 1.551 17850 6524 1 8 . 1 1 90 90 PHE H H 90 8.685 8.685 8.549 0.136 17850 6525 1 8 . 1 1 91 91 LYS N N 91 116.189 116.189 119.766 -3.577 17850 6526 1 8 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.889 0.059 17850 6527 1 8 . 1 1 91 91 LYS C C 91 178.236 178.236 178.099 0.137 17850 6528 1 8 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.441 0.073 17850 6529 1 8 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.711 0.160 17850 6530 1 8 . 1 1 91 91 LYS H H 91 8.112 8.112 7.440 0.672 17850 6531 1 8 . 1 1 92 92 VAL N N 92 117.696 117.696 116.852 0.844 17850 6532 1 8 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.893 -0.321 17850 6533 1 8 . 1 1 92 92 VAL C C 92 176.545 176.545 177.072 -0.527 17850 6534 1 8 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.098 0.474 17850 6535 1 8 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.186 -0.760 17850 6536 1 8 . 1 1 92 92 VAL H H 92 7.383 7.383 7.723 -0.340 17850 6537 1 8 . 1 1 93 93 PHE N N 93 114.826 114.826 117.835 -3.009 17850 6538 1 8 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.656 -0.429 17850 6539 1 8 . 1 1 93 93 PHE C C 93 176.417 176.417 176.194 0.223 17850 6540 1 8 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.837 0.763 17850 6541 1 8 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.819 2.377 17850 6542 1 8 . 1 1 93 93 PHE H H 93 7.116 7.116 8.001 -0.885 17850 6543 1 8 . 1 1 94 94 ASP N N 94 116.753 116.753 124.240 -7.487 17850 6544 1 8 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.528 0.003 17850 6545 1 8 . 1 1 94 94 ASP C C 94 177.305 177.305 177.116 0.189 17850 6546 1 8 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.248 -2.777 17850 6547 1 8 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.525 -1.684 17850 6548 1 8 . 1 1 94 94 ASP H H 94 7.849 7.849 8.140 -0.291 17850 6549 1 8 . 1 1 95 95 LYS N N 95 125.185 125.185 119.375 5.810 17850 6550 1 8 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.175 -0.172 17850 6551 1 8 . 1 1 95 95 LYS C C 95 178.261 178.261 176.990 1.271 17850 6552 1 8 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.751 1.326 17850 6553 1 8 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.438 -1.248 17850 6554 1 8 . 1 1 95 95 LYS H H 95 7.755 7.755 7.802 -0.047 17850 6555 1 8 . 1 1 96 96 ASN N N 96 112.542 112.542 119.867 -7.325 17850 6556 1 8 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.362 0.423 17850 6557 1 8 . 1 1 96 96 ASN C C 96 176.469 176.469 174.455 2.014 17850 6558 1 8 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.998 -1.135 17850 6559 1 8 . 1 1 96 96 ASN H H 96 8.069 8.069 8.085 -0.016 17850 6560 1 8 . 1 1 97 97 GLY N N 97 109.956 109.956 110.916 -0.960 17850 6561 1 8 . 1 1 97 97 GLY C C 97 175.032 175.032 175.727 -0.695 17850 6562 1 8 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.315 3.393 17850 6563 1 8 . 1 1 97 97 GLY H H 97 7.686 7.686 8.866 -1.180 17850 6564 1 8 . 1 1 98 98 ASP N N 98 119.383 119.383 120.253 -0.870 17850 6565 1 8 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.311 0.242 17850 6566 1 8 . 1 1 98 98 ASP C C 98 177.274 177.274 174.668 2.606 17850 6567 1 8 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.969 -1.635 17850 6568 1 8 . 1 1 98 98 ASP H H 98 8.249 8.249 8.086 0.163 17850 6569 1 8 . 1 1 99 99 GLY N N 99 112.398 112.398 105.444 6.954 17850 6570 1 8 . 1 1 99 99 GLY C C 99 173.128 173.128 173.948 -0.820 17850 6571 1 8 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.810 1.919 17850 6572 1 8 . 1 1 99 99 GLY H H 99 10.390 10.390 8.067 2.323 17850 6573 1 8 . 1 1 100 100 LEU N N 100 120.803 120.803 125.603 -4.800 17850 6574 1 8 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.791 0.474 17850 6575 1 8 . 1 1 100 100 LEU C C 100 176.427 176.427 177.478 -1.051 17850 6576 1 8 . 1 1 100 100 LEU CA C 100 52.776 52.776 54.935 -2.159 17850 6577 1 8 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.822 4.379 17850 6578 1 8 . 1 1 100 100 LEU H H 100 7.987 7.987 8.965 -0.978 17850 6579 1 8 . 1 1 101 101 ILE N N 101 125.286 125.286 128.867 -3.581 17850 6580 1 8 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.306 0.416 17850 6581 1 8 . 1 1 101 101 ILE C C 101 175.432 175.432 177.275 -1.843 17850 6582 1 8 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.982 -0.733 17850 6583 1 8 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.193 -0.129 17850 6584 1 8 . 1 1 101 101 ILE H H 101 9.698 9.698 8.358 1.340 17850 6585 1 8 . 1 1 102 102 SER N N 102 123.133 123.133 116.561 6.572 17850 6586 1 8 . 1 1 102 102 SER HA H 102 4.969 4.969 4.194 0.775 17850 6587 1 8 . 1 1 102 102 SER C C 102 175.298 175.298 176.408 -1.110 17850 6588 1 8 . 1 1 102 102 SER CA C 102 55.994 55.994 61.752 -5.758 17850 6589 1 8 . 1 1 102 102 SER CB C 102 66.456 66.456 62.678 3.779 17850 6590 1 8 . 1 1 102 102 SER H H 102 9.095 9.095 8.925 0.170 17850 6591 1 8 . 1 1 103 103 ALA N N 103 122.886 122.886 121.910 0.976 17850 6592 1 8 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.856 0.033 17850 6593 1 8 . 1 1 103 103 ALA C C 103 179.237 179.237 179.770 -0.533 17850 6594 1 8 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.401 0.681 17850 6595 1 8 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.842 0.215 17850 6596 1 8 . 1 1 103 103 ALA H H 103 8.691 8.691 8.610 0.081 17850 6597 1 8 . 1 1 104 104 ALA N N 104 118.317 118.317 120.174 -1.857 17850 6598 1 8 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.596 0.478 17850 6599 1 8 . 1 1 104 104 ALA C C 104 181.451 181.451 179.036 2.415 17850 6600 1 8 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.587 0.699 17850 6601 1 8 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.433 0.002 17850 6602 1 8 . 1 1 104 104 ALA H H 104 8.392 8.392 8.213 0.179 17850 6603 1 8 . 1 1 105 105 GLU N N 105 120.398 120.398 118.131 2.267 17850 6604 1 8 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.709 -0.649 17850 6605 1 8 . 1 1 105 105 GLU C C 105 179.223 179.223 177.454 1.769 17850 6606 1 8 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.844 -0.381 17850 6607 1 8 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.075 -0.923 17850 6608 1 8 . 1 1 105 105 GLU H H 105 7.879 7.879 8.287 -0.408 17850 6609 1 8 . 1 1 106 106 LEU N N 106 120.023 120.023 120.024 -0.001 17850 6610 1 8 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.895 0.268 17850 6611 1 8 . 1 1 106 106 LEU C C 106 178.503 178.503 178.904 -0.401 17850 6612 1 8 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.479 0.210 17850 6613 1 8 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.921 1.366 17850 6614 1 8 . 1 1 106 106 LEU H H 106 8.479 8.479 8.705 -0.226 17850 6615 1 8 . 1 1 107 107 LYS N N 107 117.064 117.064 119.872 -2.808 17850 6616 1 8 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.964 -0.146 17850 6617 1 8 . 1 1 107 107 LYS C C 107 179.039 179.039 178.136 0.903 17850 6618 1 8 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.039 1.269 17850 6619 1 8 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.142 0.748 17850 6620 1 8 . 1 1 107 107 LYS H H 107 8.758 8.758 8.479 0.279 17850 6621 1 8 . 1 1 108 108 HIS N N 108 119.125 119.125 117.188 1.937 17850 6622 1 8 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.694 0.622 17850 6623 1 8 . 1 1 108 108 HIS C C 108 178.394 178.394 177.268 1.126 17850 6624 1 8 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.102 1.085 17850 6625 1 8 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.223 1.269 17850 6626 1 8 . 1 1 108 108 HIS H H 108 8.287 8.287 7.889 0.398 17850 6627 1 8 . 1 1 109 109 VAL N N 109 119.525 119.525 119.149 0.376 17850 6628 1 8 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.744 -0.259 17850 6629 1 8 . 1 1 109 109 VAL C C 109 178.246 178.246 177.550 0.696 17850 6630 1 8 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.121 1.589 17850 6631 1 8 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.947 0.625 17850 6632 1 8 . 1 1 109 109 VAL H H 109 7.915 7.915 8.474 -0.559 17850 6633 1 8 . 1 1 110 110 LEU N N 110 117.403 117.403 118.364 -0.961 17850 6634 1 8 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.587 -0.608 17850 6635 1 8 . 1 1 110 110 LEU C C 110 178.968 178.968 177.636 1.332 17850 6636 1 8 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.184 1.034 17850 6637 1 8 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.884 -1.356 17850 6638 1 8 . 1 1 110 110 LEU H H 110 8.269 8.269 8.132 0.137 17850 6639 1 8 . 1 1 111 111 THR N N 111 114.122 114.122 114.882 -0.760 17850 6640 1 8 . 1 1 111 111 THR HA H 111 4.184 4.184 4.112 0.072 17850 6641 1 8 . 1 1 111 111 THR C C 111 178.534 178.534 174.849 3.685 17850 6642 1 8 . 1 1 111 111 THR CA C 111 66.252 66.252 62.692 3.560 17850 6643 1 8 . 1 1 111 111 THR CB C 111 68.851 68.851 68.421 0.429 17850 6644 1 8 . 1 1 111 111 THR H H 111 8.441 8.441 7.539 0.902 17850 6645 1 8 . 1 1 112 112 SER N N 112 119.981 119.981 106.432 13.549 17850 6646 1 8 . 1 1 112 112 SER HA H 112 4.215 4.215 4.713 -0.498 17850 6647 1 8 . 1 1 112 112 SER C C 112 175.523 175.523 174.747 0.776 17850 6648 1 8 . 1 1 112 112 SER CA C 112 62.197 62.197 58.139 4.058 17850 6649 1 8 . 1 1 112 112 SER CB C 112 62.936 62.936 65.228 -2.292 17850 6650 1 8 . 1 1 112 112 SER H H 112 7.910 7.910 7.155 0.755 17850 6651 1 8 . 1 1 113 113 ILE N N 113 112.726 112.726 118.772 -6.046 17850 6652 1 8 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.878 0.606 17850 6653 1 8 . 1 1 113 113 ILE C C 113 175.636 175.636 175.891 -0.255 17850 6654 1 8 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.231 -0.476 17850 6655 1 8 . 1 1 113 113 ILE H H 113 7.473 7.473 7.269 0.204 17850 6656 1 8 . 1 1 114 114 GLY N N 114 108.354 108.354 110.315 -1.961 17850 6657 1 8 . 1 1 114 114 GLY C C 114 174.583 174.583 173.818 0.765 17850 6658 1 8 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.933 -0.083 17850 6659 1 8 . 1 1 114 114 GLY H H 114 7.652 7.652 7.997 -0.345 17850 6660 1 8 . 1 1 115 115 GLU N N 115 120.283 120.283 116.872 3.411 17850 6661 1 8 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.907 -0.602 17850 6662 1 8 . 1 1 115 115 GLU C C 115 175.444 175.444 175.582 -0.138 17850 6663 1 8 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.824 -0.692 17850 6664 1 8 . 1 1 115 115 GLU CB C 115 30.250 30.250 31.513 -1.263 17850 6665 1 8 . 1 1 115 115 GLU H H 115 8.045 8.045 8.388 -0.343 17850 6666 1 8 . 1 1 116 116 LYS N N 116 124.370 124.370 126.195 -1.825 17850 6667 1 8 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.674 -0.252 17850 6668 1 8 . 1 1 116 116 LYS C C 116 175.287 175.287 176.239 -0.952 17850 6669 1 8 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.615 0.020 17850 6670 1 8 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.078 -2.936 17850 6671 1 8 . 1 1 116 116 LYS H H 116 8.571 8.571 8.699 -0.128 17850 6672 1 8 . 1 1 117 117 LEU N N 117 125.492 125.492 120.212 5.280 17850 6673 1 8 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.253 0.531 17850 6674 1 8 . 1 1 117 117 LEU C C 117 177.161 177.161 177.335 -0.174 17850 6675 1 8 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.825 0.408 17850 6676 1 8 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.530 1.468 17850 6677 1 8 . 1 1 117 117 LEU H H 117 8.042 8.042 8.184 -0.142 17850 6678 1 8 . 1 1 118 118 THR N N 118 113.255 113.255 116.826 -3.571 17850 6679 1 8 . 1 1 118 118 THR HA H 118 4.497 4.497 4.007 0.490 17850 6680 1 8 . 1 1 118 118 THR C C 118 175.335 175.335 176.286 -0.951 17850 6681 1 8 . 1 1 118 118 THR CA C 118 60.434 60.434 66.203 -5.769 17850 6682 1 8 . 1 1 118 118 THR CB C 118 71.193 71.193 68.838 2.354 17850 6683 1 8 . 1 1 118 118 THR H H 118 8.995 8.995 8.681 0.314 17850 6684 1 8 . 1 1 119 119 ASP N N 119 120.837 120.837 117.629 3.208 17850 6685 1 8 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.566 -0.334 17850 6686 1 8 . 1 1 119 119 ASP C C 119 178.422 178.422 178.057 0.365 17850 6687 1 8 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.206 1.891 17850 6688 1 8 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.470 -0.495 17850 6689 1 8 . 1 1 119 119 ASP H H 119 8.743 8.743 8.280 0.463 17850 6690 1 8 . 1 1 120 120 ALA N N 120 121.309 121.309 121.643 -0.334 17850 6691 1 8 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.142 0.024 17850 6692 1 8 . 1 1 120 120 ALA C C 120 179.796 179.796 179.907 -0.111 17850 6693 1 8 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.327 0.701 17850 6694 1 8 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.006 -0.686 17850 6695 1 8 . 1 1 120 120 ALA H H 120 8.304 8.304 7.726 0.578 17850 6696 1 8 . 1 1 121 121 GLU N N 121 118.068 118.068 121.182 -3.114 17850 6697 1 8 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.085 -0.028 17850 6698 1 8 . 1 1 121 121 GLU C C 121 180.035 180.035 177.219 2.816 17850 6699 1 8 . 1 1 121 121 GLU CA C 121 59.238 59.238 59.881 -0.643 17850 6700 1 8 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.997 0.432 17850 6701 1 8 . 1 1 121 121 GLU H H 121 7.705 7.705 8.705 -1.000 17850 6702 1 8 . 1 1 122 122 VAL N N 122 120.636 120.636 118.376 2.260 17850 6703 1 8 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.813 -0.276 17850 6704 1 8 . 1 1 122 122 VAL C C 122 177.120 177.120 177.529 -0.409 17850 6705 1 8 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.453 1.589 17850 6706 1 8 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.759 -0.367 17850 6707 1 8 . 1 1 122 122 VAL H H 122 7.935 7.935 7.854 0.081 17850 6708 1 8 . 1 1 123 123 ASP N N 123 120.336 120.336 117.996 2.340 17850 6709 1 8 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.532 -0.229 17850 6710 1 8 . 1 1 123 123 ASP C C 123 179.023 179.023 177.849 1.174 17850 6711 1 8 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.036 1.907 17850 6712 1 8 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.272 -0.601 17850 6713 1 8 . 1 1 123 123 ASP H H 123 8.204 8.204 7.589 0.615 17850 6714 1 8 . 1 1 124 124 ASP N N 124 118.890 118.890 120.370 -1.480 17850 6715 1 8 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.342 -0.002 17850 6716 1 8 . 1 1 124 124 ASP C C 124 178.527 178.527 177.564 0.963 17850 6717 1 8 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.058 0.465 17850 6718 1 8 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.764 0.056 17850 6719 1 8 . 1 1 124 124 ASP H H 124 8.272 8.272 7.870 0.402 17850 6720 1 8 . 1 1 125 125 MET N N 125 119.365 119.365 115.709 3.656 17850 6721 1 8 . 1 1 125 125 MET HA H 125 4.091 4.091 4.290 -0.199 17850 6722 1 8 . 1 1 125 125 MET C C 125 178.021 178.021 178.589 -0.568 17850 6723 1 8 . 1 1 125 125 MET CA C 125 59.205 59.205 57.310 1.895 17850 6724 1 8 . 1 1 125 125 MET CB C 125 33.281 33.281 30.966 2.315 17850 6725 1 8 . 1 1 125 125 MET H H 125 7.750 7.750 8.119 -0.369 17850 6726 1 8 . 1 1 126 126 LEU N N 126 117.193 117.193 118.617 -1.424 17850 6727 1 8 . 1 1 126 126 LEU HA H 126 3.924 3.924 4.034 -0.110 17850 6728 1 8 . 1 1 126 126 LEU C C 126 180.267 180.267 179.656 0.611 17850 6729 1 8 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.733 0.069 17850 6730 1 8 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.304 0.310 17850 6731 1 8 . 1 1 126 126 LEU H H 126 8.152 8.152 7.507 0.645 17850 6732 1 8 . 1 1 127 127 ARG N N 127 120.792 120.792 117.924 2.868 17850 6733 1 8 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.080 -0.039 17850 6734 1 8 . 1 1 127 127 ARG C C 127 178.027 178.027 177.716 0.311 17850 6735 1 8 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.700 0.581 17850 6736 1 8 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.342 -0.343 17850 6737 1 8 . 1 1 127 127 ARG H H 127 8.335 8.335 7.695 0.640 17850 6738 1 8 . 1 1 128 128 GLU N N 128 117.142 117.142 109.901 7.241 17850 6739 1 8 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.660 -0.554 17850 6740 1 8 . 1 1 128 128 GLU C C 128 178.618 178.618 176.042 2.576 17850 6741 1 8 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.970 3.235 17850 6742 1 8 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.572 -0.178 17850 6743 1 8 . 1 1 128 128 GLU H H 128 7.667 7.667 8.309 -0.642 17850 6744 1 8 . 1 1 129 129 VAL N N 129 108.345 108.345 119.227 -10.882 17850 6745 1 8 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.149 0.338 17850 6746 1 8 . 1 1 129 129 VAL C C 129 175.591 175.591 176.743 -1.152 17850 6747 1 8 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.612 -0.949 17850 6748 1 8 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.129 -0.120 17850 6749 1 8 . 1 1 129 129 VAL H H 129 7.470 7.470 7.968 -0.498 17850 6750 1 8 . 1 1 130 130 SER N N 130 115.012 115.012 117.553 -2.541 17850 6751 1 8 . 1 1 130 130 SER HA H 130 4.670 4.670 4.138 0.532 17850 6752 1 8 . 1 1 130 130 SER C C 130 174.414 174.414 174.192 0.222 17850 6753 1 8 . 1 1 130 130 SER CA C 130 58.067 58.067 59.552 -1.485 17850 6754 1 8 . 1 1 130 130 SER CB C 130 65.814 65.814 62.118 3.696 17850 6755 1 8 . 1 1 130 130 SER H H 130 7.858 7.858 7.860 -0.002 17850 6756 1 8 . 1 1 131 131 ASP N N 131 120.972 120.972 116.144 4.828 17850 6757 1 8 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.269 0.297 17850 6758 1 8 . 1 1 131 131 ASP C C 131 176.676 176.676 176.188 0.488 17850 6759 1 8 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.708 0.075 17850 6760 1 8 . 1 1 131 131 ASP H H 131 8.478 8.478 8.184 0.294 17850 6761 1 8 . 1 1 132 132 GLY N N 132 105.512 105.512 109.187 -3.675 17850 6762 1 8 . 1 1 132 132 GLY C C 132 174.924 174.924 175.554 -0.630 17850 6763 1 8 . 1 1 132 132 GLY CA C 132 45.670 45.670 45.888 -0.218 17850 6764 1 8 . 1 1 132 132 GLY H H 132 8.352 8.352 7.992 0.360 17850 6765 1 8 . 1 1 133 133 SER N N 133 116.718 116.718 114.782 1.936 17850 6766 1 8 . 1 1 133 133 SER HA H 133 4.435 4.435 4.459 -0.024 17850 6767 1 8 . 1 1 133 133 SER C C 133 175.404 175.404 173.172 2.232 17850 6768 1 8 . 1 1 133 133 SER CA C 133 59.340 59.340 57.947 1.393 17850 6769 1 8 . 1 1 133 133 SER H H 133 8.104 8.104 8.612 -0.508 17850 6770 1 8 . 1 1 134 134 GLY N N 134 109.601 109.601 107.978 1.623 17850 6771 1 8 . 1 1 134 134 GLY C C 134 172.547 172.547 172.517 0.030 17850 6772 1 8 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.085 2.738 17850 6773 1 8 . 1 1 134 134 GLY H H 134 8.555 8.555 7.545 1.010 17850 6774 1 8 . 1 1 135 135 GLU N N 135 117.166 117.166 112.854 4.312 17850 6775 1 8 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.823 0.204 17850 6776 1 8 . 1 1 135 135 GLU C C 135 175.280 175.280 174.428 0.852 17850 6777 1 8 . 1 1 135 135 GLU CA C 135 54.735 54.735 55.006 -0.271 17850 6778 1 8 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.821 1.053 17850 6779 1 8 . 1 1 135 135 GLU H H 135 7.641 7.641 8.796 -1.155 17850 6780 1 8 . 1 1 136 136 ILE N N 136 114.256 114.256 125.584 -11.328 17850 6781 1 8 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.865 0.211 17850 6782 1 8 . 1 1 136 136 ILE C C 136 175.228 175.228 177.229 -2.001 17850 6783 1 8 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.972 -0.574 17850 6784 1 8 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.339 2.313 17850 6785 1 8 . 1 1 136 136 ILE H H 136 8.565 8.565 8.130 0.435 17850 6786 1 8 . 1 1 137 137 ASN N N 137 121.842 121.842 118.063 3.779 17850 6787 1 8 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.490 1.775 17850 6788 1 8 . 1 1 137 137 ASN C C 137 176.835 176.835 176.360 0.475 17850 6789 1 8 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.717 -3.690 17850 6790 1 8 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.704 2.009 17850 6791 1 8 . 1 1 137 137 ASN H H 137 8.767 8.767 8.305 0.462 17850 6792 1 8 . 1 1 138 138 ILE N N 138 118.075 118.075 118.599 -0.524 17850 6793 1 8 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.870 -0.118 17850 6794 1 8 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.319 0.453 17850 6795 1 8 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.663 0.890 17850 6796 1 8 . 1 1 138 138 ILE H H 138 8.418 8.418 8.373 0.045 17850 6797 1 8 . 1 1 139 139 GLN N N 139 122.926 122.926 119.967 2.959 17850 6798 1 8 . 1 1 139 139 GLN HA H 139 4.126 4.126 3.997 0.129 17850 6799 1 8 . 1 1 139 139 GLN C C 139 179.886 179.886 178.534 1.352 17850 6800 1 8 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.892 0.694 17850 6801 1 8 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.449 -0.664 17850 6802 1 8 . 1 1 139 139 GLN H H 139 7.632 7.632 7.998 -0.366 17850 6803 1 8 . 1 1 140 140 GLN N N 140 121.813 121.813 119.656 2.157 17850 6804 1 8 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.779 0.382 17850 6805 1 8 . 1 1 140 140 GLN C C 140 178.284 178.284 177.203 1.081 17850 6806 1 8 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.843 -0.627 17850 6807 1 8 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.598 -0.160 17850 6808 1 8 . 1 1 140 140 GLN H H 140 8.416 8.416 8.763 -0.347 17850 6809 1 8 . 1 1 141 141 PHE N N 141 121.732 121.732 117.234 4.498 17850 6810 1 8 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.735 0.417 17850 6811 1 8 . 1 1 141 141 PHE C C 141 176.273 176.273 176.687 -0.414 17850 6812 1 8 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.231 0.729 17850 6813 1 8 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.056 2.005 17850 6814 1 8 . 1 1 141 141 PHE H H 141 9.030 9.030 7.867 1.163 17850 6815 1 8 . 1 1 142 142 ALA N N 142 119.852 119.852 121.616 -1.764 17850 6816 1 8 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.965 -0.162 17850 6817 1 8 . 1 1 142 142 ALA C C 142 180.733 180.733 180.115 0.618 17850 6818 1 8 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.557 0.653 17850 6819 1 8 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.069 -0.167 17850 6820 1 8 . 1 1 142 142 ALA H H 142 8.399 8.399 7.968 0.431 17850 6821 1 8 . 1 1 143 143 ALA N N 143 120.555 120.555 119.833 0.722 17850 6822 1 8 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.919 0.195 17850 6823 1 8 . 1 1 143 143 ALA C C 143 180.455 180.455 179.832 0.623 17850 6824 1 8 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.212 -0.199 17850 6825 1 8 . 1 1 143 143 ALA CB C 143 17.849 17.849 18.939 -1.090 17850 6826 1 8 . 1 1 143 143 ALA H H 143 7.627 7.627 7.293 0.334 17850 6827 1 8 . 1 1 144 144 LEU N N 144 121.054 121.054 113.446 7.608 17850 6828 1 8 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.056 -0.123 17850 6829 1 8 . 1 1 144 144 LEU C C 144 177.756 177.756 176.966 0.790 17850 6830 1 8 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.060 1.636 17850 6831 1 8 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.939 -0.101 17850 6832 1 8 . 1 1 144 144 LEU H H 144 8.029 8.029 7.375 0.654 17850 6833 1 8 . 1 1 145 145 LEU N N 145 115.288 115.288 117.649 -2.361 17850 6834 1 8 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.440 -0.467 17850 6835 1 8 . 1 1 145 145 LEU C C 145 177.284 177.284 175.091 2.193 17850 6836 1 8 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.289 0.995 17850 6837 1 8 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.411 -0.801 17850 6838 1 8 . 1 1 145 145 LEU H H 145 7.309 7.309 7.445 -0.136 17850 6839 1 8 . 1 1 146 146 SER N N 146 114.503 114.503 116.813 -2.310 17850 6840 1 8 . 1 1 146 146 SER HA H 146 4.346 4.346 4.429 -0.083 17850 6841 1 8 . 1 1 146 146 SER C C 146 175.125 175.125 172.276 2.849 17850 6842 1 8 . 1 1 146 146 SER CA C 146 59.046 59.046 58.953 0.093 17850 6843 1 8 . 1 1 146 146 SER CB C 146 64.181 64.181 65.901 -1.720 17850 6844 1 8 . 1 1 146 146 SER H H 146 7.506 7.506 7.617 -0.111 17850 6845 1 8 . 1 1 147 147 LYS N N 147 123.315 123.315 124.324 -1.009 17850 6846 1 8 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.586 -0.419 17850 6847 1 8 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.358 1.324 17850 6848 1 8 . 1 1 147 147 LYS H H 147 8.329 8.329 8.349 -0.020 17850 6849 1 8 . 1 1 148 148 GLY N N 148 108.566 108.566 112.442 -3.876 17850 6850 1 8 . 1 1 148 148 GLY C C 148 174.394 174.394 175.234 -0.840 17850 6851 1 8 . 1 1 148 148 GLY CA C 148 45.528 45.528 47.059 -1.531 17850 6852 1 8 . 1 1 148 148 GLY H H 148 8.353 8.353 8.488 -0.135 17850 6853 1 8 . 1 1 149 149 SER N N 149 115.356 115.356 118.085 -2.729 17850 6854 1 8 . 1 1 149 149 SER HA H 149 4.484 4.484 4.695 -0.211 17850 6855 1 8 . 1 1 149 149 SER C C 149 175.038 175.038 173.317 1.721 17850 6856 1 8 . 1 1 149 149 SER CA C 149 58.418 58.418 58.362 0.056 17850 6857 1 8 . 1 1 149 149 SER CB C 149 64.171 64.171 63.280 0.891 17850 6858 1 8 . 1 1 149 149 SER H H 149 7.993 7.993 8.592 -0.599 17850 6859 1 8 . 1 1 150 150 SER N N 150 118.028 118.028 114.850 3.178 17850 6860 1 8 . 1 1 150 150 SER HA H 150 4.490 4.490 4.702 -0.212 17850 6861 1 8 . 1 1 150 150 SER C C 150 175.034 175.034 173.610 1.424 17850 6862 1 8 . 1 1 150 150 SER CA C 150 59.029 59.029 56.490 2.539 17850 6863 1 8 . 1 1 150 150 SER CB C 150 63.407 63.407 65.696 -2.289 17850 6864 1 8 . 1 1 150 150 SER H H 150 8.530 8.530 7.405 1.125 17850 6865 1 9 . 1 1 1 1 GLY N N 1 109.911 109.911 110.455 -0.544 17850 6866 1 9 . 1 1 1 1 GLY CA C 1 45.436 45.436 45.829 -0.393 17850 6867 1 9 . 1 1 1 1 GLY H H 1 8.410 8.410 8.078 0.332 17850 6868 1 9 . 1 1 2 2 SER N N 2 115.579 115.579 120.539 -4.960 17850 6869 1 9 . 1 1 2 2 SER HA H 2 4.474 4.474 4.579 -0.105 17850 6870 1 9 . 1 1 2 2 SER C C 2 174.661 174.661 173.765 0.896 17850 6871 1 9 . 1 1 2 2 SER CA C 2 58.374 58.374 57.496 0.878 17850 6872 1 9 . 1 1 2 2 SER CB C 2 63.986 63.986 63.810 0.176 17850 6873 1 9 . 1 1 2 2 SER H H 2 8.207 8.207 8.268 -0.061 17850 6874 1 9 . 1 1 3 3 SER N N 3 117.154 117.154 121.439 -4.285 17850 6875 1 9 . 1 1 3 3 SER HA H 3 4.439 4.439 4.707 -0.268 17850 6876 1 9 . 1 1 3 3 SER C C 3 174.122 174.122 172.912 1.210 17850 6877 1 9 . 1 1 3 3 SER CA C 3 58.695 58.695 58.505 0.190 17850 6878 1 9 . 1 1 3 3 SER CB C 3 63.865 63.865 63.780 0.085 17850 6879 1 9 . 1 1 3 3 SER H H 3 8.337 8.337 8.582 -0.245 17850 6880 1 9 . 1 1 4 4 ASN N N 4 120.145 120.145 118.642 1.503 17850 6881 1 9 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.437 -0.711 17850 6882 1 9 . 1 1 4 4 ASN C C 4 174.741 174.741 175.078 -0.337 17850 6883 1 9 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.989 1.337 17850 6884 1 9 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.892 -2.090 17850 6885 1 9 . 1 1 4 4 ASN H H 4 8.432 8.432 8.033 0.399 17850 6886 1 9 . 1 1 5 5 LEU N N 5 121.341 121.341 117.372 3.969 17850 6887 1 9 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.557 0.122 17850 6888 1 9 . 1 1 5 5 LEU C C 5 177.641 177.641 177.296 0.345 17850 6889 1 9 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.817 1.648 17850 6890 1 9 . 1 1 5 5 LEU CB C 5 43.713 43.713 45.405 -1.692 17850 6891 1 9 . 1 1 5 5 LEU H H 5 7.966 7.966 8.159 -0.193 17850 6892 1 9 . 1 1 6 6 THR N N 6 113.168 113.168 115.838 -2.670 17850 6893 1 9 . 1 1 6 6 THR HA H 6 4.470 4.470 3.960 0.510 17850 6894 1 9 . 1 1 6 6 THR C C 6 175.390 175.390 176.237 -0.847 17850 6895 1 9 . 1 1 6 6 THR CA C 6 60.543 60.543 65.405 -4.862 17850 6896 1 9 . 1 1 6 6 THR CB C 6 71.190 71.190 68.438 2.752 17850 6897 1 9 . 1 1 6 6 THR H H 6 8.716 8.716 8.877 -0.161 17850 6898 1 9 . 1 1 7 7 GLU N N 7 120.480 120.480 119.090 1.390 17850 6899 1 9 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.181 -0.196 17850 6900 1 9 . 1 1 7 7 GLU C C 7 179.475 179.475 178.426 1.049 17850 6901 1 9 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.571 1.502 17850 6902 1 9 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.516 -0.223 17850 6903 1 9 . 1 1 7 7 GLU H H 7 8.997 8.997 7.880 1.117 17850 6904 1 9 . 1 1 8 8 GLU N N 8 119.766 119.766 118.096 1.670 17850 6905 1 9 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.219 -0.132 17850 6906 1 9 . 1 1 8 8 GLU C C 8 178.641 178.641 179.433 -0.792 17850 6907 1 9 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.513 1.322 17850 6908 1 9 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.383 -0.985 17850 6909 1 9 . 1 1 8 8 GLU H H 8 8.603 8.603 8.258 0.345 17850 6910 1 9 . 1 1 9 9 GLN N N 9 119.234 119.234 118.726 0.508 17850 6911 1 9 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.343 -0.414 17850 6912 1 9 . 1 1 9 9 GLN C C 9 178.969 178.969 177.907 1.062 17850 6913 1 9 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.390 2.328 17850 6914 1 9 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.257 3.325 17850 6915 1 9 . 1 1 9 9 GLN H H 9 7.730 7.730 8.402 -0.672 17850 6916 1 9 . 1 1 10 10 ILE N N 10 119.661 119.661 118.825 0.836 17850 6917 1 9 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.123 -0.360 17850 6918 1 9 . 1 1 10 10 ILE C C 10 178.040 178.040 177.431 0.609 17850 6919 1 9 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.646 2.575 17850 6920 1 9 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.358 0.594 17850 6921 1 9 . 1 1 10 10 ILE H H 10 8.398 8.398 7.727 0.671 17850 6922 1 9 . 1 1 11 11 ALA N N 11 121.678 121.678 122.653 -0.975 17850 6923 1 9 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.136 -0.003 17850 6924 1 9 . 1 1 11 11 ALA C C 11 181.140 181.140 179.776 1.364 17850 6925 1 9 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.071 1.383 17850 6926 1 9 . 1 1 11 11 ALA CB C 11 17.912 17.912 19.031 -1.119 17850 6927 1 9 . 1 1 11 11 ALA H H 11 8.037 8.037 7.921 0.116 17850 6928 1 9 . 1 1 12 12 GLU N N 12 118.175 118.175 118.656 -0.481 17850 6929 1 9 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.402 -0.284 17850 6930 1 9 . 1 1 12 12 GLU C C 12 180.185 180.185 179.198 0.987 17850 6931 1 9 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.551 -0.356 17850 6932 1 9 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.896 0.483 17850 6933 1 9 . 1 1 12 12 GLU H H 12 7.869 7.869 7.668 0.201 17850 6934 1 9 . 1 1 13 13 PHE N N 13 119.011 119.011 119.082 -0.071 17850 6935 1 9 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.018 0.872 17850 6936 1 9 . 1 1 13 13 PHE C C 13 178.486 178.486 178.046 0.440 17850 6937 1 9 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.692 -1.243 17850 6938 1 9 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.386 0.513 17850 6939 1 9 . 1 1 13 13 PHE H H 13 8.429 8.429 7.881 0.548 17850 6940 1 9 . 1 1 14 14 LYS N N 14 123.459 123.459 117.716 5.743 17850 6941 1 9 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.094 -0.062 17850 6942 1 9 . 1 1 14 14 LYS C C 14 179.131 179.131 178.779 0.352 17850 6943 1 9 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.948 1.542 17850 6944 1 9 . 1 1 14 14 LYS CB C 14 31.913 31.913 31.959 -0.045 17850 6945 1 9 . 1 1 14 14 LYS H H 14 8.925 8.925 8.566 0.359 17850 6946 1 9 . 1 1 15 15 GLU N N 15 119.581 119.581 117.524 2.057 17850 6947 1 9 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.366 -0.198 17850 6948 1 9 . 1 1 15 15 GLU C C 15 179.163 179.163 177.499 1.664 17850 6949 1 9 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.599 0.786 17850 6950 1 9 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.395 -0.008 17850 6951 1 9 . 1 1 15 15 GLU H H 15 8.064 8.064 8.228 -0.164 17850 6952 1 9 . 1 1 16 16 ALA N N 16 120.993 120.993 122.437 -1.444 17850 6953 1 9 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.333 0.909 17850 6954 1 9 . 1 1 16 16 ALA C C 16 177.628 177.628 177.983 -0.355 17850 6955 1 9 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.407 2.778 17850 6956 1 9 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.799 -1.875 17850 6957 1 9 . 1 1 16 16 ALA H H 16 7.801 7.801 7.917 -0.116 17850 6958 1 9 . 1 1 17 17 PHE N N 17 118.745 118.745 119.532 -0.787 17850 6959 1 9 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.507 -1.153 17850 6960 1 9 . 1 1 17 17 PHE C C 17 177.500 177.500 176.922 0.578 17850 6961 1 9 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.962 1.738 17850 6962 1 9 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.144 1.834 17850 6963 1 9 . 1 1 17 17 PHE H H 17 8.469 8.469 7.854 0.615 17850 6964 1 9 . 1 1 18 18 ALA N N 18 119.942 119.942 118.244 1.698 17850 6965 1 9 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.754 0.256 17850 6966 1 9 . 1 1 18 18 ALA C C 18 178.535 178.535 178.469 0.066 17850 6967 1 9 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.175 0.241 17850 6968 1 9 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.374 0.113 17850 6969 1 9 . 1 1 18 18 ALA H H 18 8.187 8.187 7.186 1.001 17850 6970 1 9 . 1 1 19 19 LEU N N 19 116.851 116.851 114.431 2.420 17850 6971 1 9 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.201 -0.241 17850 6972 1 9 . 1 1 19 19 LEU C C 19 176.795 176.795 177.183 -0.388 17850 6973 1 9 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.982 2.453 17850 6974 1 9 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.993 -1.311 17850 6975 1 9 . 1 1 19 19 LEU H H 19 7.254 7.254 7.191 0.063 17850 6976 1 9 . 1 1 20 20 PHE N N 20 111.977 111.977 120.769 -8.792 17850 6977 1 9 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.098 0.161 17850 6978 1 9 . 1 1 20 20 PHE C C 20 177.033 177.033 176.506 0.527 17850 6979 1 9 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.182 -0.527 17850 6980 1 9 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.922 4.242 17850 6981 1 9 . 1 1 20 20 PHE H H 20 7.041 7.041 7.859 -0.818 17850 6982 1 9 . 1 1 21 21 ASP N N 21 116.981 116.981 124.906 -7.925 17850 6983 1 9 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.401 0.184 17850 6984 1 9 . 1 1 21 21 ASP C C 21 177.297 177.297 177.472 -0.175 17850 6985 1 9 . 1 1 21 21 ASP CA C 21 52.671 52.671 55.802 -3.131 17850 6986 1 9 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.469 -1.467 17850 6987 1 9 . 1 1 21 21 ASP H H 21 7.567 7.567 8.177 -0.610 17850 6988 1 9 . 1 1 22 22 LYS N N 22 124.748 124.748 115.308 9.440 17850 6989 1 9 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.151 -0.159 17850 6990 1 9 . 1 1 22 22 LYS C C 22 177.866 177.866 176.362 1.504 17850 6991 1 9 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.445 1.788 17850 6992 1 9 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.211 0.416 17850 6993 1 9 . 1 1 22 22 LYS H H 22 7.820 7.820 8.108 -0.288 17850 6994 1 9 . 1 1 23 23 ASP N N 23 114.211 114.211 117.825 -3.614 17850 6995 1 9 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.411 0.192 17850 6996 1 9 . 1 1 23 23 ASP C C 23 176.266 176.266 175.731 0.535 17850 6997 1 9 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.219 -2.572 17850 6998 1 9 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.584 -0.300 17850 6999 1 9 . 1 1 23 23 ASP H H 23 8.025 8.025 8.028 -0.003 17850 7000 1 9 . 1 1 24 24 ASN N N 24 115.587 115.587 117.139 -1.552 17850 7001 1 9 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.712 -0.323 17850 7002 1 9 . 1 1 24 24 ASN C C 24 174.828 174.828 176.546 -1.718 17850 7003 1 9 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.424 1.083 17850 7004 1 9 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.039 -1.008 17850 7005 1 9 . 1 1 24 24 ASN H H 24 7.962 7.962 8.770 -0.808 17850 7006 1 9 . 1 1 25 25 ASN N N 25 117.385 117.385 118.598 -1.213 17850 7007 1 9 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.604 0.244 17850 7008 1 9 . 1 1 25 25 ASN C C 25 177.553 177.553 173.988 3.565 17850 7009 1 9 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.019 -0.704 17850 7010 1 9 . 1 1 25 25 ASN H H 25 8.489 8.489 8.059 0.430 17850 7011 1 9 . 1 1 26 26 GLY N N 26 113.934 113.934 107.446 6.488 17850 7012 1 9 . 1 1 26 26 GLY C C 26 173.371 173.371 173.712 -0.341 17850 7013 1 9 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.422 0.116 17850 7014 1 9 . 1 1 26 26 GLY H H 26 10.580 10.580 8.088 2.492 17850 7015 1 9 . 1 1 27 27 SER N N 27 113.842 113.842 122.447 -8.605 17850 7016 1 9 . 1 1 27 27 SER HA H 27 5.358 5.358 4.373 0.985 17850 7017 1 9 . 1 1 27 27 SER C C 27 172.645 172.645 174.368 -1.723 17850 7018 1 9 . 1 1 27 27 SER CA C 27 57.474 57.474 58.085 -0.611 17850 7019 1 9 . 1 1 27 27 SER CB C 27 66.576 66.576 63.242 3.334 17850 7020 1 9 . 1 1 27 27 SER H H 27 7.793 7.793 8.960 -1.167 17850 7021 1 9 . 1 1 28 28 ILE N N 28 127.597 127.597 128.053 -0.456 17850 7022 1 9 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.147 0.678 17850 7023 1 9 . 1 1 28 28 ILE C C 28 175.890 175.890 177.157 -1.267 17850 7024 1 9 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.814 -0.638 17850 7025 1 9 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.758 -0.664 17850 7026 1 9 . 1 1 28 28 ILE H H 28 9.787 9.787 9.146 0.641 17850 7027 1 9 . 1 1 29 29 SER N N 29 124.860 124.860 116.662 8.198 17850 7028 1 9 . 1 1 29 29 SER HA H 29 4.813 4.813 4.182 0.631 17850 7029 1 9 . 1 1 29 29 SER C C 29 175.477 175.477 176.969 -1.492 17850 7030 1 9 . 1 1 29 29 SER CA C 29 56.583 56.583 60.705 -4.122 17850 7031 1 9 . 1 1 29 29 SER CB C 29 66.269 66.269 63.347 2.922 17850 7032 1 9 . 1 1 29 29 SER H H 29 9.320 9.320 8.517 0.803 17850 7033 1 9 . 1 1 30 30 SER N N 30 117.383 117.383 117.012 0.371 17850 7034 1 9 . 1 1 30 30 SER HA H 30 4.141 4.141 4.276 -0.135 17850 7035 1 9 . 1 1 30 30 SER C C 30 176.531 176.531 175.677 0.854 17850 7036 1 9 . 1 1 30 30 SER CA C 30 62.690 62.690 60.850 1.840 17850 7037 1 9 . 1 1 30 30 SER CB C 30 62.264 62.264 62.940 -0.676 17850 7038 1 9 . 1 1 30 30 SER H H 30 9.554 9.554 7.765 1.789 17850 7039 1 9 . 1 1 31 31 SER N N 31 116.232 116.232 115.488 0.744 17850 7040 1 9 . 1 1 31 31 SER HA H 31 4.309 4.309 4.377 -0.068 17850 7041 1 9 . 1 1 31 31 SER C C 31 178.017 178.017 177.103 0.914 17850 7042 1 9 . 1 1 31 31 SER CA C 31 61.332 61.332 60.158 1.174 17850 7043 1 9 . 1 1 31 31 SER CB C 31 62.512 62.512 63.639 -1.127 17850 7044 1 9 . 1 1 31 31 SER H H 31 8.141 8.141 7.411 0.730 17850 7045 1 9 . 1 1 32 32 GLU N N 32 125.663 125.663 120.981 4.682 17850 7046 1 9 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.070 -0.017 17850 7047 1 9 . 1 1 32 32 GLU C C 32 179.222 179.222 177.580 1.642 17850 7048 1 9 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.589 0.110 17850 7049 1 9 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.611 -0.359 17850 7050 1 9 . 1 1 32 32 GLU H H 32 7.947 7.947 8.630 -0.683 17850 7051 1 9 . 1 1 33 33 LEU N N 33 120.624 120.624 116.548 4.076 17850 7052 1 9 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.150 0.018 17850 7053 1 9 . 1 1 33 33 LEU C C 33 178.493 178.493 178.417 0.076 17850 7054 1 9 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.322 1.585 17850 7055 1 9 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.044 1.273 17850 7056 1 9 . 1 1 33 33 LEU H H 33 8.424 8.424 8.197 0.227 17850 7057 1 9 . 1 1 34 34 ALA N N 34 119.635 119.635 122.053 -2.418 17850 7058 1 9 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.096 -0.272 17850 7059 1 9 . 1 1 34 34 ALA C C 34 179.360 179.360 178.949 0.411 17850 7060 1 9 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.960 -0.364 17850 7061 1 9 . 1 1 34 34 ALA CB C 34 18.677 18.677 19.086 -0.409 17850 7062 1 9 . 1 1 34 34 ALA H H 34 8.410 8.410 7.798 0.612 17850 7063 1 9 . 1 1 35 35 THR N N 35 114.602 114.602 116.232 -1.630 17850 7064 1 9 . 1 1 35 35 THR HA H 35 3.886 3.886 4.017 -0.131 17850 7065 1 9 . 1 1 35 35 THR C C 35 177.278 177.278 175.818 1.460 17850 7066 1 9 . 1 1 35 35 THR CA C 35 67.317 67.317 65.517 1.800 17850 7067 1 9 . 1 1 35 35 THR CB C 35 68.774 68.774 69.327 -0.553 17850 7068 1 9 . 1 1 35 35 THR H H 35 8.263 8.263 7.553 0.710 17850 7069 1 9 . 1 1 36 36 VAL N N 36 122.295 122.295 118.681 3.614 17850 7070 1 9 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.540 0.065 17850 7071 1 9 . 1 1 36 36 VAL C C 36 178.653 178.653 178.286 0.367 17850 7072 1 9 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.844 -0.106 17850 7073 1 9 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.160 0.143 17850 7074 1 9 . 1 1 36 36 VAL H H 36 7.790 7.790 7.704 0.086 17850 7075 1 9 . 1 1 37 37 MET N N 37 117.677 117.677 116.361 1.316 17850 7076 1 9 . 1 1 37 37 MET HA H 37 3.642 3.642 4.367 -0.725 17850 7077 1 9 . 1 1 37 37 MET C C 37 178.172 178.172 179.247 -1.075 17850 7078 1 9 . 1 1 37 37 MET CA C 37 60.506 60.506 58.052 2.454 17850 7079 1 9 . 1 1 37 37 MET CB C 37 32.347 32.347 31.643 0.704 17850 7080 1 9 . 1 1 37 37 MET H H 37 8.081 8.081 7.931 0.150 17850 7081 1 9 . 1 1 38 38 ARG N N 38 118.309 118.309 119.740 -1.431 17850 7082 1 9 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.046 0.642 17850 7083 1 9 . 1 1 38 38 ARG C C 38 181.486 181.486 177.781 3.705 17850 7084 1 9 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.862 0.239 17850 7085 1 9 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.982 0.030 17850 7086 1 9 . 1 1 38 38 ARG H H 38 8.547 8.547 7.546 1.001 17850 7087 1 9 . 1 1 39 39 SER N N 39 119.250 119.250 111.014 8.236 17850 7088 1 9 . 1 1 39 39 SER HA H 39 4.301 4.301 4.208 0.093 17850 7089 1 9 . 1 1 39 39 SER C C 39 174.899 174.899 174.684 0.215 17850 7090 1 9 . 1 1 39 39 SER CA C 39 61.925 61.925 58.991 2.934 17850 7091 1 9 . 1 1 39 39 SER CB C 39 62.773 62.773 63.419 -0.646 17850 7092 1 9 . 1 1 39 39 SER H H 39 8.226 8.226 7.819 0.407 17850 7093 1 9 . 1 1 40 40 LEU N N 40 119.516 119.516 117.119 2.397 17850 7094 1 9 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.046 0.224 17850 7095 1 9 . 1 1 40 40 LEU C C 40 176.681 176.681 176.524 0.157 17850 7096 1 9 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.344 0.238 17850 7097 1 9 . 1 1 40 40 LEU H H 40 7.343 7.343 7.802 -0.459 17850 7098 1 9 . 1 1 41 41 GLY N N 41 105.983 105.983 106.962 -0.979 17850 7099 1 9 . 1 1 41 41 GLY C C 41 174.471 174.471 175.099 -0.628 17850 7100 1 9 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.635 0.604 17850 7101 1 9 . 1 1 41 41 GLY H H 41 7.858 7.858 7.751 0.107 17850 7102 1 9 . 1 1 42 42 LEU N N 42 120.442 120.442 118.909 1.533 17850 7103 1 9 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.498 -0.027 17850 7104 1 9 . 1 1 42 42 LEU C C 42 175.965 175.965 174.562 1.403 17850 7105 1 9 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.526 1.719 17850 7106 1 9 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.140 0.391 17850 7107 1 9 . 1 1 42 42 LEU H H 42 7.707 7.707 8.376 -0.669 17850 7108 1 9 . 1 1 43 43 SER HA H 43 4.798 4.798 4.709 0.089 17850 7109 1 9 . 1 1 43 43 SER CA C 43 54.912 54.912 57.513 -2.601 17850 7110 1 9 . 1 1 43 43 SER CB C 43 63.197 63.197 63.499 -0.302 17850 7111 1 9 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.531 0.261 17850 7112 1 9 . 1 1 44 44 PRO CA C 44 61.881 61.881 61.919 -0.038 17850 7113 1 9 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.800 -1.599 17850 7114 1 9 . 1 1 45 45 SER N N 45 119.898 119.898 122.284 -2.386 17850 7115 1 9 . 1 1 45 45 SER HA H 45 4.611 4.611 4.011 0.600 17850 7116 1 9 . 1 1 45 45 SER C C 45 174.913 174.913 176.095 -1.182 17850 7117 1 9 . 1 1 45 45 SER CA C 45 56.689 56.689 61.674 -4.985 17850 7118 1 9 . 1 1 45 45 SER CB C 45 65.502 65.502 63.305 2.197 17850 7119 1 9 . 1 1 45 45 SER H H 45 9.387 9.387 9.096 0.291 17850 7120 1 9 . 1 1 46 46 GLU N N 46 121.468 121.468 118.401 3.067 17850 7121 1 9 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.095 -0.156 17850 7122 1 9 . 1 1 46 46 GLU C C 46 179.002 179.002 178.810 0.192 17850 7123 1 9 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.539 0.596 17850 7124 1 9 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.946 0.401 17850 7125 1 9 . 1 1 46 46 GLU H H 46 8.913 8.913 8.537 0.376 17850 7126 1 9 . 1 1 47 47 ALA N N 47 121.115 121.115 121.687 -0.572 17850 7127 1 9 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.167 -0.015 17850 7128 1 9 . 1 1 47 47 ALA C C 47 179.962 179.962 180.259 -0.297 17850 7129 1 9 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.702 0.416 17850 7130 1 9 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.101 -0.746 17850 7131 1 9 . 1 1 47 47 ALA H H 47 8.324 8.324 7.817 0.507 17850 7132 1 9 . 1 1 48 48 GLU N N 48 118.713 118.713 119.654 -0.941 17850 7133 1 9 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.832 0.272 17850 7134 1 9 . 1 1 48 48 GLU C C 48 179.558 179.558 178.430 1.128 17850 7135 1 9 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.187 -1.969 17850 7136 1 9 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.774 1.130 17850 7137 1 9 . 1 1 48 48 GLU H H 48 7.756 7.756 8.896 -1.140 17850 7138 1 9 . 1 1 49 49 VAL N N 49 119.108 119.108 119.895 -0.787 17850 7139 1 9 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.886 -0.422 17850 7140 1 9 . 1 1 49 49 VAL C C 49 177.505 177.505 178.441 -0.936 17850 7141 1 9 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.182 2.289 17850 7142 1 9 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.276 0.165 17850 7143 1 9 . 1 1 49 49 VAL H H 49 8.129 8.129 7.840 0.289 17850 7144 1 9 . 1 1 50 50 ASN N N 50 117.942 117.942 117.932 0.010 17850 7145 1 9 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.521 -0.133 17850 7146 1 9 . 1 1 50 50 ASN C C 50 177.275 177.275 176.826 0.449 17850 7147 1 9 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.846 0.935 17850 7148 1 9 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.471 -0.074 17850 7149 1 9 . 1 1 50 50 ASN H H 50 8.071 8.071 7.742 0.329 17850 7150 1 9 . 1 1 51 51 ASP N N 51 120.669 120.669 118.545 2.124 17850 7151 1 9 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.599 -0.108 17850 7152 1 9 . 1 1 51 51 ASP C C 51 179.203 179.203 178.229 0.974 17850 7153 1 9 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.004 1.591 17850 7154 1 9 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.360 -1.046 17850 7155 1 9 . 1 1 51 51 ASP H H 51 8.364 8.364 8.217 0.147 17850 7156 1 9 . 1 1 52 52 LEU N N 52 122.409 122.409 118.291 4.118 17850 7157 1 9 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.107 -0.037 17850 7158 1 9 . 1 1 52 52 LEU C C 52 179.017 179.017 178.248 0.769 17850 7159 1 9 . 1 1 52 52 LEU CA C 52 58.457 58.457 58.031 0.426 17850 7160 1 9 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.483 0.598 17850 7161 1 9 . 1 1 52 52 LEU H H 52 8.018 8.018 8.503 -0.485 17850 7162 1 9 . 1 1 53 53 MET N N 53 117.391 117.391 118.787 -1.396 17850 7163 1 9 . 1 1 53 53 MET HA H 53 4.112 4.112 4.458 -0.346 17850 7164 1 9 . 1 1 53 53 MET CA C 53 57.472 57.472 57.342 0.130 17850 7165 1 9 . 1 1 53 53 MET CB C 53 30.021 30.021 32.909 -2.888 17850 7166 1 9 . 1 1 53 53 MET H H 53 8.562 8.562 8.487 0.075 17850 7167 1 9 . 1 1 54 54 ASN N N 54 115.554 115.554 116.248 -0.694 17850 7168 1 9 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.624 -0.066 17850 7169 1 9 . 1 1 54 54 ASN C C 54 176.801 176.801 175.456 1.345 17850 7170 1 9 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.332 0.965 17850 7171 1 9 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.283 -1.126 17850 7172 1 9 . 1 1 54 54 ASN H H 54 8.204 8.204 7.593 0.611 17850 7173 1 9 . 1 1 55 55 GLU N N 55 117.659 117.659 115.484 2.175 17850 7174 1 9 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.370 -0.168 17850 7175 1 9 . 1 1 55 55 GLU C C 55 177.093 177.093 176.670 0.423 17850 7176 1 9 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.646 2.181 17850 7177 1 9 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.185 -0.165 17850 7178 1 9 . 1 1 55 55 GLU H H 55 7.617 7.617 7.362 0.255 17850 7179 1 9 . 1 1 56 56 ILE N N 56 117.618 117.618 123.402 -5.784 17850 7180 1 9 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.223 -0.339 17850 7181 1 9 . 1 1 56 56 ILE C C 56 176.029 176.029 177.365 -1.336 17850 7182 1 9 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.072 -0.258 17850 7183 1 9 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.090 1.838 17850 7184 1 9 . 1 1 56 56 ILE H H 56 7.472 7.472 7.957 -0.485 17850 7185 1 9 . 1 1 57 57 ASP N N 57 118.636 118.636 125.816 -7.180 17850 7186 1 9 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.562 -0.150 17850 7187 1 9 . 1 1 57 57 ASP C C 57 175.691 175.691 176.659 -0.968 17850 7188 1 9 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.571 -1.038 17850 7189 1 9 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.036 0.209 17850 7190 1 9 . 1 1 57 57 ASP H H 57 8.304 8.304 8.104 0.200 17850 7191 1 9 . 1 1 58 58 VAL N N 58 126.376 126.376 117.502 8.874 17850 7192 1 9 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.144 -0.150 17850 7193 1 9 . 1 1 58 58 VAL C C 58 177.258 177.258 176.758 0.500 17850 7194 1 9 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.690 2.644 17850 7195 1 9 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.988 1.319 17850 7196 1 9 . 1 1 58 58 VAL H H 58 7.926 7.926 7.461 0.465 17850 7197 1 9 . 1 1 59 59 ASP N N 59 117.093 117.093 119.685 -2.592 17850 7198 1 9 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.273 0.284 17850 7199 1 9 . 1 1 59 59 ASP C C 59 177.759 177.759 176.956 0.803 17850 7200 1 9 . 1 1 59 59 ASP CA C 59 53.876 53.876 55.127 -1.251 17850 7201 1 9 . 1 1 59 59 ASP H H 59 8.363 8.363 8.330 0.033 17850 7202 1 9 . 1 1 60 60 GLY N N 60 108.290 108.290 107.799 0.491 17850 7203 1 9 . 1 1 60 60 GLY C C 60 174.700 174.700 174.654 0.046 17850 7204 1 9 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.972 3.147 17850 7205 1 9 . 1 1 60 60 GLY H H 60 7.636 7.636 8.939 -1.303 17850 7206 1 9 . 1 1 61 61 ASN N N 61 118.884 118.884 116.402 2.482 17850 7207 1 9 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.340 0.189 17850 7208 1 9 . 1 1 61 61 ASN C C 61 175.856 175.856 172.869 2.987 17850 7209 1 9 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.964 -2.604 17850 7210 1 9 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.769 0.408 17850 7211 1 9 . 1 1 61 61 ASN H H 61 8.078 8.078 8.994 -0.916 17850 7212 1 9 . 1 1 62 62 HIS N N 62 117.381 117.381 112.296 5.085 17850 7213 1 9 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.090 -1.213 17850 7214 1 9 . 1 1 62 62 HIS C C 62 172.310 172.310 173.022 -0.712 17850 7215 1 9 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.086 2.287 17850 7216 1 9 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.670 -8.936 17850 7217 1 9 . 1 1 62 62 HIS H H 62 9.958 9.958 8.500 1.458 17850 7218 1 9 . 1 1 63 63 GLN N N 63 112.906 112.906 117.448 -4.542 17850 7219 1 9 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.953 -0.121 17850 7220 1 9 . 1 1 63 63 GLN C C 63 174.861 174.861 175.528 -0.667 17850 7221 1 9 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.226 -0.351 17850 7222 1 9 . 1 1 63 63 GLN CB C 63 32.150 32.150 31.176 0.974 17850 7223 1 9 . 1 1 63 63 GLN H H 63 7.535 7.535 7.967 -0.432 17850 7224 1 9 . 1 1 64 64 ILE N N 64 124.083 124.083 126.760 -2.677 17850 7225 1 9 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.752 0.320 17850 7226 1 9 . 1 1 64 64 ILE C C 64 176.670 176.670 176.241 0.429 17850 7227 1 9 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.783 -0.112 17850 7228 1 9 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.729 -1.562 17850 7229 1 9 . 1 1 64 64 ILE H H 64 9.274 9.274 8.982 0.292 17850 7230 1 9 . 1 1 65 65 GLU N N 65 129.276 129.276 120.825 8.451 17850 7231 1 9 . 1 1 65 65 GLU HA H 65 5.040 5.040 3.127 1.913 17850 7232 1 9 . 1 1 65 65 GLU C C 65 178.156 178.156 176.667 1.489 17850 7233 1 9 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.238 0.610 17850 7234 1 9 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.558 1.622 17850 7235 1 9 . 1 1 65 65 GLU H H 65 8.848 8.848 9.026 -0.178 17850 7236 1 9 . 1 1 66 66 PHE N N 66 124.260 124.260 119.191 5.069 17850 7237 1 9 . 1 1 66 66 PHE HA H 66 3.690 3.690 4.105 -0.415 17850 7238 1 9 . 1 1 66 66 PHE C C 66 177.294 177.294 176.118 1.176 17850 7239 1 9 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.375 1.645 17850 7240 1 9 . 1 1 66 66 PHE CB C 66 37.954 37.954 39.139 -1.185 17850 7241 1 9 . 1 1 66 66 PHE H H 66 9.353 9.353 8.012 1.341 17850 7242 1 9 . 1 1 67 67 SER N N 67 112.827 112.827 116.669 -3.842 17850 7243 1 9 . 1 1 67 67 SER HA H 67 3.726 3.726 4.260 -0.534 17850 7244 1 9 . 1 1 67 67 SER C C 67 177.352 177.352 175.762 1.590 17850 7245 1 9 . 1 1 67 67 SER CA C 67 61.581 61.581 60.432 1.149 17850 7246 1 9 . 1 1 67 67 SER CB C 67 61.379 61.379 63.216 -1.837 17850 7247 1 9 . 1 1 67 67 SER H H 67 9.035 9.035 7.914 1.121 17850 7248 1 9 . 1 1 68 68 GLU N N 68 123.071 123.071 121.066 2.005 17850 7249 1 9 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.962 0.173 17850 7250 1 9 . 1 1 68 68 GLU C C 68 178.895 178.895 177.916 0.979 17850 7251 1 9 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.233 -2.255 17850 7252 1 9 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.369 -1.092 17850 7253 1 9 . 1 1 68 68 GLU H H 68 6.829 6.829 8.685 -1.856 17850 7254 1 9 . 1 1 69 69 PHE N N 69 123.805 123.805 116.603 7.202 17850 7255 1 9 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.097 -0.198 17850 7256 1 9 . 1 1 69 69 PHE C C 69 176.325 176.325 175.702 0.623 17850 7257 1 9 . 1 1 69 69 PHE CA C 69 61.426 61.426 59.975 1.451 17850 7258 1 9 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.451 2.977 17850 7259 1 9 . 1 1 69 69 PHE H H 69 8.245 8.245 7.636 0.609 17850 7260 1 9 . 1 1 70 70 LEU N N 70 119.210 119.210 117.735 1.475 17850 7261 1 9 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.112 -0.876 17850 7262 1 9 . 1 1 70 70 LEU C C 70 179.131 179.131 178.571 0.560 17850 7263 1 9 . 1 1 70 70 LEU CA C 70 57.477 57.477 55.901 1.576 17850 7264 1 9 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.931 -0.603 17850 7265 1 9 . 1 1 70 70 LEU H H 70 8.788 8.788 7.289 1.499 17850 7266 1 9 . 1 1 71 71 ALA N N 71 121.612 121.612 123.192 -1.580 17850 7267 1 9 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.994 -0.085 17850 7268 1 9 . 1 1 71 71 ALA C C 71 179.804 179.804 179.545 0.259 17850 7269 1 9 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.840 0.277 17850 7270 1 9 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.517 -0.755 17850 7271 1 9 . 1 1 71 71 ALA H H 71 7.365 7.365 7.576 -0.211 17850 7272 1 9 . 1 1 72 72 LEU N N 72 118.944 118.944 118.021 0.923 17850 7273 1 9 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.956 0.008 17850 7274 1 9 . 1 1 72 72 LEU C C 72 178.415 178.415 177.775 0.640 17850 7275 1 9 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.684 1.133 17850 7276 1 9 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.287 0.181 17850 7277 1 9 . 1 1 72 72 LEU H H 72 7.142 7.142 7.538 -0.396 17850 7278 1 9 . 1 1 73 73 MET N N 73 114.500 114.500 113.898 0.602 17850 7279 1 9 . 1 1 73 73 MET HA H 73 3.978 3.978 4.397 -0.419 17850 7280 1 9 . 1 1 73 73 MET C C 73 178.283 178.283 176.205 2.078 17850 7281 1 9 . 1 1 73 73 MET CA C 73 55.701 55.701 56.173 -0.472 17850 7282 1 9 . 1 1 73 73 MET CB C 73 30.742 30.742 32.876 -2.134 17850 7283 1 9 . 1 1 73 73 MET H H 73 7.726 7.726 7.778 -0.052 17850 7284 1 9 . 1 1 74 74 SER N N 74 112.626 112.626 116.280 -3.654 17850 7285 1 9 . 1 1 74 74 SER HA H 74 4.287 4.287 4.585 -0.298 17850 7286 1 9 . 1 1 74 74 SER C C 74 174.717 174.717 173.559 1.158 17850 7287 1 9 . 1 1 74 74 SER CA C 74 59.582 59.582 57.946 1.636 17850 7288 1 9 . 1 1 74 74 SER CB C 74 63.746 63.746 62.756 0.990 17850 7289 1 9 . 1 1 74 74 SER H H 74 7.857 7.857 7.904 -0.047 17850 7290 1 9 . 1 1 75 75 ARG N N 75 122.130 122.130 118.462 3.668 17850 7291 1 9 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.404 -0.257 17850 7292 1 9 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.681 1.094 17850 7293 1 9 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.084 -1.418 17850 7294 1 9 . 1 1 75 75 ARG H H 75 7.208 7.208 8.156 -0.948 17850 7295 1 9 . 1 1 76 76 GLN N N 76 121.749 121.749 122.099 -0.350 17850 7296 1 9 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.207 0.077 17850 7297 1 9 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.611 -0.418 17850 7298 1 9 . 1 1 76 76 GLN CB C 76 29.057 29.057 28.713 0.344 17850 7299 1 9 . 1 1 76 76 GLN H H 76 8.327 8.327 8.476 -0.149 17850 7300 1 9 . 1 1 77 77 LEU N N 77 124.093 124.093 124.008 0.085 17850 7301 1 9 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.310 0.129 17850 7302 1 9 . 1 1 77 77 LEU C C 77 177.670 177.670 177.987 -0.317 17850 7303 1 9 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.254 0.029 17850 7304 1 9 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.989 -0.209 17850 7305 1 9 . 1 1 77 77 LEU H H 77 8.264 8.264 8.274 -0.010 17850 7306 1 9 . 1 1 78 78 LYS N N 78 121.053 121.053 121.060 -0.007 17850 7307 1 9 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.200 0.207 17850 7308 1 9 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.722 -1.537 17850 7309 1 9 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.682 0.595 17850 7310 1 9 . 1 1 78 78 LYS H H 78 8.433 8.433 8.333 0.100 17850 7311 1 9 . 1 1 79 79 SER N N 79 116.423 116.423 118.148 -1.725 17850 7312 1 9 . 1 1 79 79 SER HA H 79 4.321 4.321 4.344 -0.023 17850 7313 1 9 . 1 1 79 79 SER C C 79 175.145 175.145 174.396 0.749 17850 7314 1 9 . 1 1 79 79 SER CA C 79 59.795 59.795 58.003 1.792 17850 7315 1 9 . 1 1 79 79 SER CB C 79 63.226 63.226 61.962 1.264 17850 7316 1 9 . 1 1 79 79 SER H H 79 8.448 8.448 8.519 -0.071 17850 7317 1 9 . 1 1 80 80 ASN N N 80 119.581 119.581 122.863 -3.282 17850 7318 1 9 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.381 0.318 17850 7319 1 9 . 1 1 80 80 ASN C C 80 175.726 175.726 177.179 -1.453 17850 7320 1 9 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.201 -1.788 17850 7321 1 9 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.848 0.740 17850 7322 1 9 . 1 1 80 80 ASN H H 80 8.513 8.513 8.679 -0.166 17850 7323 1 9 . 1 1 81 81 ASP N N 81 120.378 120.378 120.340 0.038 17850 7324 1 9 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.143 0.487 17850 7325 1 9 . 1 1 81 81 ASP C C 81 177.281 177.281 177.955 -0.674 17850 7326 1 9 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.703 -2.110 17850 7327 1 9 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.468 1.139 17850 7328 1 9 . 1 1 81 81 ASP H H 81 7.957 7.957 8.784 -0.827 17850 7329 1 9 . 1 1 82 82 SER N N 82 117.046 117.046 117.235 -0.189 17850 7330 1 9 . 1 1 82 82 SER HA H 82 4.194 4.194 3.915 0.279 17850 7331 1 9 . 1 1 82 82 SER C C 82 176.745 176.745 176.688 0.057 17850 7332 1 9 . 1 1 82 82 SER CA C 82 61.376 61.376 61.648 -0.272 17850 7333 1 9 . 1 1 82 82 SER CB C 82 62.896 62.896 62.714 0.182 17850 7334 1 9 . 1 1 82 82 SER H H 82 8.469 8.469 8.532 -0.063 17850 7335 1 9 . 1 1 83 83 GLU N N 83 122.405 122.405 118.109 4.296 17850 7336 1 9 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.082 0.018 17850 7337 1 9 . 1 1 83 83 GLU C C 83 178.740 178.740 178.990 -0.250 17850 7338 1 9 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.721 -0.256 17850 7339 1 9 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.658 -0.254 17850 7340 1 9 . 1 1 83 83 GLU H H 83 8.357 8.357 8.466 -0.109 17850 7341 1 9 . 1 1 84 84 GLN N N 84 118.604 118.604 119.455 -0.851 17850 7342 1 9 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.153 -0.044 17850 7343 1 9 . 1 1 84 84 GLN C C 84 178.533 178.533 178.839 -0.306 17850 7344 1 9 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.389 0.077 17850 7345 1 9 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.816 0.605 17850 7346 1 9 . 1 1 84 84 GLN H H 84 7.988 7.988 7.928 0.060 17850 7347 1 9 . 1 1 85 85 GLU N N 85 119.418 119.418 120.002 -0.584 17850 7348 1 9 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.290 -0.348 17850 7349 1 9 . 1 1 85 85 GLU C C 85 178.250 178.250 178.739 -0.489 17850 7350 1 9 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.156 0.968 17850 7351 1 9 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.365 0.207 17850 7352 1 9 . 1 1 85 85 GLU H H 85 8.228 8.228 8.513 -0.285 17850 7353 1 9 . 1 1 86 86 LEU N N 86 120.010 120.010 118.381 1.629 17850 7354 1 9 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.215 -0.056 17850 7355 1 9 . 1 1 86 86 LEU C C 86 178.534 178.534 179.157 -0.623 17850 7356 1 9 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.768 -0.561 17850 7357 1 9 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.144 0.482 17850 7358 1 9 . 1 1 86 86 LEU H H 86 7.797 7.797 8.546 -0.749 17850 7359 1 9 . 1 1 87 87 LEU N N 87 119.111 119.111 120.627 -1.516 17850 7360 1 9 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.161 -0.057 17850 7361 1 9 . 1 1 87 87 LEU C C 87 179.333 179.333 179.279 0.054 17850 7362 1 9 . 1 1 87 87 LEU CA C 87 58.243 58.243 57.977 0.265 17850 7363 1 9 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.704 0.062 17850 7364 1 9 . 1 1 87 87 LEU H H 87 7.825 7.825 8.724 -0.899 17850 7365 1 9 . 1 1 88 88 GLU N N 88 117.514 117.514 117.963 -0.449 17850 7366 1 9 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.629 -0.528 17850 7367 1 9 . 1 1 88 88 GLU C C 88 179.461 179.461 177.857 1.604 17850 7368 1 9 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.358 0.658 17850 7369 1 9 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.599 -0.929 17850 7370 1 9 . 1 1 88 88 GLU H H 88 8.265 8.265 7.702 0.563 17850 7371 1 9 . 1 1 89 89 ALA N N 89 120.734 120.734 125.255 -4.521 17850 7372 1 9 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.672 0.495 17850 7373 1 9 . 1 1 89 89 ALA C C 89 178.362 178.362 178.261 0.101 17850 7374 1 9 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.501 0.576 17850 7375 1 9 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.397 -1.414 17850 7376 1 9 . 1 1 89 89 ALA H H 89 8.192 8.192 8.422 -0.230 17850 7377 1 9 . 1 1 90 90 PHE N N 90 119.339 119.339 118.049 1.290 17850 7378 1 9 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.104 -0.905 17850 7379 1 9 . 1 1 90 90 PHE C C 90 177.497 177.497 176.808 0.689 17850 7380 1 9 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.565 1.620 17850 7381 1 9 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.291 1.529 17850 7382 1 9 . 1 1 90 90 PHE H H 90 8.685 8.685 8.198 0.487 17850 7383 1 9 . 1 1 91 91 LYS N N 91 116.189 116.189 118.374 -2.185 17850 7384 1 9 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.148 -0.200 17850 7385 1 9 . 1 1 91 91 LYS C C 91 178.236 178.236 177.589 0.647 17850 7386 1 9 . 1 1 91 91 LYS CA C 91 59.514 59.514 58.339 1.175 17850 7387 1 9 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.719 0.152 17850 7388 1 9 . 1 1 91 91 LYS H H 91 8.112 8.112 7.550 0.562 17850 7389 1 9 . 1 1 92 92 VAL N N 92 117.696 117.696 117.492 0.204 17850 7390 1 9 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.911 -0.339 17850 7391 1 9 . 1 1 92 92 VAL C C 92 176.545 176.545 176.696 -0.151 17850 7392 1 9 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.920 0.652 17850 7393 1 9 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.451 -1.025 17850 7394 1 9 . 1 1 92 92 VAL H H 92 7.383 7.383 7.545 -0.162 17850 7395 1 9 . 1 1 93 93 PHE N N 93 114.826 114.826 117.862 -3.036 17850 7396 1 9 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.598 -0.371 17850 7397 1 9 . 1 1 93 93 PHE C C 93 176.417 176.417 175.984 0.433 17850 7398 1 9 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.810 0.790 17850 7399 1 9 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.797 2.399 17850 7400 1 9 . 1 1 93 93 PHE H H 93 7.116 7.116 8.008 -0.892 17850 7401 1 9 . 1 1 94 94 ASP N N 94 116.753 116.753 125.998 -9.245 17850 7402 1 9 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.534 -0.003 17850 7403 1 9 . 1 1 94 94 ASP C C 94 177.305 177.305 177.222 0.083 17850 7404 1 9 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.093 -2.622 17850 7405 1 9 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.526 -1.685 17850 7406 1 9 . 1 1 94 94 ASP H H 94 7.849 7.849 8.340 -0.491 17850 7407 1 9 . 1 1 95 95 LYS N N 95 125.185 125.185 119.500 5.685 17850 7408 1 9 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.143 -0.140 17850 7409 1 9 . 1 1 95 95 LYS C C 95 178.261 178.261 177.174 1.087 17850 7410 1 9 . 1 1 95 95 LYS CA C 95 58.077 58.077 57.206 0.871 17850 7411 1 9 . 1 1 95 95 LYS CB C 95 32.190 32.190 34.043 -1.853 17850 7412 1 9 . 1 1 95 95 LYS H H 95 7.755 7.755 8.743 -0.988 17850 7413 1 9 . 1 1 96 96 ASN N N 96 112.542 112.542 119.742 -7.200 17850 7414 1 9 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.369 0.416 17850 7415 1 9 . 1 1 96 96 ASN C C 96 176.469 176.469 174.565 1.904 17850 7416 1 9 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.027 -1.165 17850 7417 1 9 . 1 1 96 96 ASN H H 96 8.069 8.069 8.084 -0.015 17850 7418 1 9 . 1 1 97 97 GLY N N 97 109.956 109.956 110.692 -0.736 17850 7419 1 9 . 1 1 97 97 GLY C C 97 175.032 175.032 175.834 -0.802 17850 7420 1 9 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.322 3.386 17850 7421 1 9 . 1 1 97 97 GLY H H 97 7.686 7.686 8.835 -1.149 17850 7422 1 9 . 1 1 98 98 ASP N N 98 119.383 119.383 120.401 -1.018 17850 7423 1 9 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.347 0.206 17850 7424 1 9 . 1 1 98 98 ASP C C 98 177.274 177.274 174.570 2.704 17850 7425 1 9 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.721 -1.387 17850 7426 1 9 . 1 1 98 98 ASP H H 98 8.249 8.249 8.068 0.181 17850 7427 1 9 . 1 1 99 99 GLY N N 99 112.398 112.398 106.192 6.206 17850 7428 1 9 . 1 1 99 99 GLY C C 99 173.128 173.128 173.936 -0.808 17850 7429 1 9 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.777 1.952 17850 7430 1 9 . 1 1 99 99 GLY H H 99 10.390 10.390 8.168 2.222 17850 7431 1 9 . 1 1 100 100 LEU N N 100 120.803 120.803 124.904 -4.101 17850 7432 1 9 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.880 0.385 17850 7433 1 9 . 1 1 100 100 LEU C C 100 176.427 176.427 177.341 -0.914 17850 7434 1 9 . 1 1 100 100 LEU CA C 100 52.776 52.776 54.685 -1.909 17850 7435 1 9 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.934 4.267 17850 7436 1 9 . 1 1 100 100 LEU H H 100 7.987 7.987 9.035 -1.048 17850 7437 1 9 . 1 1 101 101 ILE N N 101 125.286 125.286 128.153 -2.867 17850 7438 1 9 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.470 0.252 17850 7439 1 9 . 1 1 101 101 ILE C C 101 175.432 175.432 177.087 -1.655 17850 7440 1 9 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.777 -0.528 17850 7441 1 9 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.613 -0.549 17850 7442 1 9 . 1 1 101 101 ILE H H 101 9.698 9.698 8.630 1.068 17850 7443 1 9 . 1 1 102 102 SER N N 102 123.133 123.133 117.742 5.391 17850 7444 1 9 . 1 1 102 102 SER HA H 102 4.969 4.969 4.121 0.848 17850 7445 1 9 . 1 1 102 102 SER C C 102 175.298 175.298 175.934 -0.636 17850 7446 1 9 . 1 1 102 102 SER CA C 102 55.994 55.994 61.836 -5.842 17850 7447 1 9 . 1 1 102 102 SER CB C 102 66.456 66.456 62.453 4.003 17850 7448 1 9 . 1 1 102 102 SER H H 102 9.095 9.095 8.854 0.241 17850 7449 1 9 . 1 1 103 103 ALA N N 103 122.886 122.886 121.192 1.694 17850 7450 1 9 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.831 0.058 17850 7451 1 9 . 1 1 103 103 ALA C C 103 179.237 179.237 179.679 -0.442 17850 7452 1 9 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.123 0.959 17850 7453 1 9 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.742 0.315 17850 7454 1 9 . 1 1 103 103 ALA H H 103 8.691 8.691 8.698 -0.007 17850 7455 1 9 . 1 1 104 104 ALA N N 104 118.317 118.317 119.883 -1.566 17850 7456 1 9 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.594 0.480 17850 7457 1 9 . 1 1 104 104 ALA C C 104 181.451 181.451 179.225 2.226 17850 7458 1 9 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.687 0.598 17850 7459 1 9 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.382 0.053 17850 7460 1 9 . 1 1 104 104 ALA H H 104 8.392 8.392 8.408 -0.016 17850 7461 1 9 . 1 1 105 105 GLU N N 105 120.398 120.398 117.931 2.467 17850 7462 1 9 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.582 -0.522 17850 7463 1 9 . 1 1 105 105 GLU C C 105 179.223 179.223 177.829 1.394 17850 7464 1 9 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.063 0.400 17850 7465 1 9 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.129 -0.978 17850 7466 1 9 . 1 1 105 105 GLU H H 105 7.879 7.879 8.233 -0.354 17850 7467 1 9 . 1 1 106 106 LEU N N 106 120.023 120.023 120.003 0.020 17850 7468 1 9 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.887 0.276 17850 7469 1 9 . 1 1 106 106 LEU C C 106 178.503 178.503 178.838 -0.335 17850 7470 1 9 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.403 0.286 17850 7471 1 9 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.985 1.302 17850 7472 1 9 . 1 1 106 106 LEU H H 106 8.479 8.479 8.761 -0.282 17850 7473 1 9 . 1 1 107 107 LYS N N 107 117.064 117.064 119.662 -2.598 17850 7474 1 9 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.967 -0.149 17850 7475 1 9 . 1 1 107 107 LYS C C 107 179.039 179.039 178.938 0.101 17850 7476 1 9 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.023 1.285 17850 7477 1 9 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.096 0.794 17850 7478 1 9 . 1 1 107 107 LYS H H 107 8.758 8.758 8.569 0.189 17850 7479 1 9 . 1 1 108 108 HIS N N 108 119.125 119.125 118.794 0.331 17850 7480 1 9 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.559 0.757 17850 7481 1 9 . 1 1 108 108 HIS C C 108 178.394 178.394 176.458 1.936 17850 7482 1 9 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.354 0.833 17850 7483 1 9 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.382 1.110 17850 7484 1 9 . 1 1 108 108 HIS H H 108 8.287 8.287 8.091 0.196 17850 7485 1 9 . 1 1 109 109 VAL N N 109 119.525 119.525 118.202 1.323 17850 7486 1 9 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.766 -0.281 17850 7487 1 9 . 1 1 109 109 VAL C C 109 178.246 178.246 178.524 -0.278 17850 7488 1 9 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.358 1.352 17850 7489 1 9 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.574 0.998 17850 7490 1 9 . 1 1 109 109 VAL H H 109 7.915 7.915 8.303 -0.388 17850 7491 1 9 . 1 1 110 110 LEU N N 110 117.403 117.403 120.695 -3.292 17850 7492 1 9 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.116 -0.137 17850 7493 1 9 . 1 1 110 110 LEU C C 110 178.968 178.968 178.293 0.675 17850 7494 1 9 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.691 -0.474 17850 7495 1 9 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.983 -1.455 17850 7496 1 9 . 1 1 110 110 LEU H H 110 8.269 8.269 8.369 -0.100 17850 7497 1 9 . 1 1 111 111 THR N N 111 114.122 114.122 114.412 -0.290 17850 7498 1 9 . 1 1 111 111 THR HA H 111 4.184 4.184 3.967 0.217 17850 7499 1 9 . 1 1 111 111 THR C C 111 178.534 178.534 175.115 3.419 17850 7500 1 9 . 1 1 111 111 THR CA C 111 66.252 66.252 64.534 1.718 17850 7501 1 9 . 1 1 111 111 THR CB C 111 68.851 68.851 68.474 0.377 17850 7502 1 9 . 1 1 111 111 THR H H 111 8.441 8.441 7.592 0.849 17850 7503 1 9 . 1 1 112 112 SER N N 112 119.981 119.981 106.049 13.932 17850 7504 1 9 . 1 1 112 112 SER HA H 112 4.215 4.215 4.720 -0.505 17850 7505 1 9 . 1 1 112 112 SER C C 112 175.523 175.523 174.824 0.699 17850 7506 1 9 . 1 1 112 112 SER CA C 112 62.197 62.197 58.419 3.778 17850 7507 1 9 . 1 1 112 112 SER CB C 112 62.936 62.936 65.228 -2.292 17850 7508 1 9 . 1 1 112 112 SER H H 112 7.910 7.910 7.122 0.788 17850 7509 1 9 . 1 1 113 113 ILE N N 113 112.726 112.726 119.943 -7.217 17850 7510 1 9 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.919 0.565 17850 7511 1 9 . 1 1 113 113 ILE C C 113 175.636 175.636 175.709 -0.073 17850 7512 1 9 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.262 -0.507 17850 7513 1 9 . 1 1 113 113 ILE H H 113 7.473 7.473 7.641 -0.168 17850 7514 1 9 . 1 1 114 114 GLY N N 114 108.354 108.354 111.054 -2.700 17850 7515 1 9 . 1 1 114 114 GLY C C 114 174.583 174.583 174.037 0.546 17850 7516 1 9 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.901 -0.051 17850 7517 1 9 . 1 1 114 114 GLY H H 114 7.652 7.652 7.920 -0.268 17850 7518 1 9 . 1 1 115 115 GLU N N 115 120.283 120.283 124.822 -4.539 17850 7519 1 9 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.639 -0.334 17850 7520 1 9 . 1 1 115 115 GLU C C 115 175.444 175.444 175.658 -0.214 17850 7521 1 9 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.094 0.038 17850 7522 1 9 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.256 -0.006 17850 7523 1 9 . 1 1 115 115 GLU H H 115 8.045 8.045 8.464 -0.419 17850 7524 1 9 . 1 1 116 116 LYS N N 116 124.370 124.370 124.535 -0.165 17850 7525 1 9 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.545 -0.123 17850 7526 1 9 . 1 1 116 116 LYS C C 116 175.287 175.287 176.456 -1.169 17850 7527 1 9 . 1 1 116 116 LYS CA C 116 55.635 55.635 54.950 0.684 17850 7528 1 9 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.136 -2.994 17850 7529 1 9 . 1 1 116 116 LYS H H 116 8.571 8.571 8.442 0.129 17850 7530 1 9 . 1 1 117 117 LEU N N 117 125.492 125.492 119.937 5.555 17850 7531 1 9 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.349 0.435 17850 7532 1 9 . 1 1 117 117 LEU C C 117 177.161 177.161 177.627 -0.466 17850 7533 1 9 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.791 0.442 17850 7534 1 9 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.699 1.299 17850 7535 1 9 . 1 1 117 117 LEU H H 117 8.042 8.042 8.210 -0.168 17850 7536 1 9 . 1 1 118 118 THR N N 118 113.255 113.255 117.912 -4.657 17850 7537 1 9 . 1 1 118 118 THR HA H 118 4.497 4.497 3.980 0.517 17850 7538 1 9 . 1 1 118 118 THR C C 118 175.335 175.335 176.295 -0.960 17850 7539 1 9 . 1 1 118 118 THR CA C 118 60.434 60.434 65.915 -5.481 17850 7540 1 9 . 1 1 118 118 THR CB C 118 71.193 71.193 68.801 2.392 17850 7541 1 9 . 1 1 118 118 THR H H 118 8.995 8.995 8.792 0.203 17850 7542 1 9 . 1 1 119 119 ASP N N 119 120.837 120.837 119.455 1.382 17850 7543 1 9 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.458 -0.226 17850 7544 1 9 . 1 1 119 119 ASP C C 119 178.422 178.422 178.323 0.099 17850 7545 1 9 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.536 1.561 17850 7546 1 9 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.597 -0.622 17850 7547 1 9 . 1 1 119 119 ASP H H 119 8.743 8.743 8.307 0.436 17850 7548 1 9 . 1 1 120 120 ALA N N 120 121.309 121.309 122.007 -0.698 17850 7549 1 9 . 1 1 120 120 ALA HA H 120 4.166 4.166 3.982 0.184 17850 7550 1 9 . 1 1 120 120 ALA C C 120 179.796 179.796 180.244 -0.448 17850 7551 1 9 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.840 0.188 17850 7552 1 9 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.729 -0.409 17850 7553 1 9 . 1 1 120 120 ALA H H 120 8.304 8.304 7.934 0.370 17850 7554 1 9 . 1 1 121 121 GLU N N 121 118.068 118.068 120.339 -2.271 17850 7555 1 9 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.927 0.130 17850 7556 1 9 . 1 1 121 121 GLU C C 121 180.035 180.035 177.118 2.917 17850 7557 1 9 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.349 -1.111 17850 7558 1 9 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.844 0.585 17850 7559 1 9 . 1 1 121 121 GLU H H 121 7.705 7.705 8.824 -1.119 17850 7560 1 9 . 1 1 122 122 VAL N N 122 120.636 120.636 118.440 2.196 17850 7561 1 9 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.797 -0.260 17850 7562 1 9 . 1 1 122 122 VAL C C 122 177.120 177.120 177.628 -0.508 17850 7563 1 9 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.552 1.490 17850 7564 1 9 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.701 -0.309 17850 7565 1 9 . 1 1 122 122 VAL H H 122 7.935 7.935 7.993 -0.058 17850 7566 1 9 . 1 1 123 123 ASP N N 123 120.336 120.336 118.072 2.264 17850 7567 1 9 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.498 -0.195 17850 7568 1 9 . 1 1 123 123 ASP C C 123 179.023 179.023 178.064 0.959 17850 7569 1 9 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.301 1.642 17850 7570 1 9 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.257 -0.586 17850 7571 1 9 . 1 1 123 123 ASP H H 123 8.204 8.204 8.048 0.156 17850 7572 1 9 . 1 1 124 124 ASP N N 124 118.890 118.890 120.306 -1.416 17850 7573 1 9 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.547 -0.207 17850 7574 1 9 . 1 1 124 124 ASP C C 124 178.527 178.527 177.491 1.036 17850 7575 1 9 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.800 0.723 17850 7576 1 9 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.756 0.064 17850 7577 1 9 . 1 1 124 124 ASP H H 124 8.272 8.272 7.426 0.846 17850 7578 1 9 . 1 1 125 125 MET N N 125 119.365 119.365 116.136 3.229 17850 7579 1 9 . 1 1 125 125 MET HA H 125 4.091 4.091 4.177 -0.086 17850 7580 1 9 . 1 1 125 125 MET C C 125 178.021 178.021 178.268 -0.247 17850 7581 1 9 . 1 1 125 125 MET CA C 125 59.205 59.205 57.805 1.400 17850 7582 1 9 . 1 1 125 125 MET CB C 125 33.281 33.281 32.130 1.151 17850 7583 1 9 . 1 1 125 125 MET H H 125 7.750 7.750 8.210 -0.460 17850 7584 1 9 . 1 1 126 126 LEU N N 126 117.193 117.193 118.905 -1.712 17850 7585 1 9 . 1 1 126 126 LEU HA H 126 3.924 3.924 4.002 -0.078 17850 7586 1 9 . 1 1 126 126 LEU C C 126 180.267 180.267 179.699 0.568 17850 7587 1 9 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.837 -0.035 17850 7588 1 9 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.384 0.230 17850 7589 1 9 . 1 1 126 126 LEU H H 126 8.152 8.152 7.727 0.425 17850 7590 1 9 . 1 1 127 127 ARG N N 127 120.792 120.792 118.366 2.426 17850 7591 1 9 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.096 -0.055 17850 7592 1 9 . 1 1 127 127 ARG C C 127 178.027 178.027 177.687 0.340 17850 7593 1 9 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.577 0.704 17850 7594 1 9 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.350 -0.351 17850 7595 1 9 . 1 1 127 127 ARG H H 127 8.335 8.335 7.595 0.740 17850 7596 1 9 . 1 1 128 128 GLU N N 128 117.142 117.142 111.678 5.464 17850 7597 1 9 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.620 -0.514 17850 7598 1 9 . 1 1 128 128 GLU C C 128 178.618 178.618 176.170 2.448 17850 7599 1 9 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.736 3.469 17850 7600 1 9 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.595 -0.201 17850 7601 1 9 . 1 1 128 128 GLU H H 128 7.667 7.667 8.292 -0.625 17850 7602 1 9 . 1 1 129 129 VAL N N 129 108.345 108.345 118.279 -9.934 17850 7603 1 9 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.199 0.288 17850 7604 1 9 . 1 1 129 129 VAL C C 129 175.591 175.591 176.621 -1.030 17850 7605 1 9 . 1 1 129 129 VAL CA C 129 61.663 61.663 63.025 -1.362 17850 7606 1 9 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.991 -0.982 17850 7607 1 9 . 1 1 129 129 VAL H H 129 7.470 7.470 8.073 -0.603 17850 7608 1 9 . 1 1 130 130 SER N N 130 115.012 115.012 117.939 -2.927 17850 7609 1 9 . 1 1 130 130 SER HA H 130 4.670 4.670 4.154 0.516 17850 7610 1 9 . 1 1 130 130 SER C C 130 174.414 174.414 174.440 -0.026 17850 7611 1 9 . 1 1 130 130 SER CA C 130 58.067 58.067 59.766 -1.699 17850 7612 1 9 . 1 1 130 130 SER CB C 130 65.814 65.814 61.888 3.926 17850 7613 1 9 . 1 1 130 130 SER H H 130 7.858 7.858 7.818 0.040 17850 7614 1 9 . 1 1 131 131 ASP N N 131 120.972 120.972 116.145 4.827 17850 7615 1 9 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.188 0.378 17850 7616 1 9 . 1 1 131 131 ASP C C 131 176.676 176.676 176.471 0.205 17850 7617 1 9 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.740 0.043 17850 7618 1 9 . 1 1 131 131 ASP H H 131 8.478 8.478 8.119 0.359 17850 7619 1 9 . 1 1 132 132 GLY N N 132 105.512 105.512 109.303 -3.791 17850 7620 1 9 . 1 1 132 132 GLY C C 132 174.924 174.924 176.166 -1.242 17850 7621 1 9 . 1 1 132 132 GLY CA C 132 45.670 45.670 47.438 -1.768 17850 7622 1 9 . 1 1 132 132 GLY H H 132 8.352 8.352 8.059 0.293 17850 7623 1 9 . 1 1 133 133 SER N N 133 116.718 116.718 112.979 3.739 17850 7624 1 9 . 1 1 133 133 SER HA H 133 4.435 4.435 4.303 0.132 17850 7625 1 9 . 1 1 133 133 SER C C 133 175.404 175.404 172.677 2.727 17850 7626 1 9 . 1 1 133 133 SER CA C 133 59.340 59.340 57.773 1.567 17850 7627 1 9 . 1 1 133 133 SER H H 133 8.104 8.104 8.387 -0.283 17850 7628 1 9 . 1 1 134 134 GLY N N 134 109.601 109.601 107.732 1.869 17850 7629 1 9 . 1 1 134 134 GLY C C 134 172.547 172.547 172.856 -0.309 17850 7630 1 9 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.415 2.408 17850 7631 1 9 . 1 1 134 134 GLY H H 134 8.555 8.555 8.225 0.330 17850 7632 1 9 . 1 1 135 135 GLU N N 135 117.166 117.166 116.792 0.374 17850 7633 1 9 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.936 0.091 17850 7634 1 9 . 1 1 135 135 GLU C C 135 175.280 175.280 175.021 0.259 17850 7635 1 9 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.801 -0.066 17850 7636 1 9 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.794 1.079 17850 7637 1 9 . 1 1 135 135 GLU H H 135 7.641 7.641 8.281 -0.640 17850 7638 1 9 . 1 1 136 136 ILE N N 136 114.256 114.256 126.544 -12.288 17850 7639 1 9 . 1 1 136 136 ILE HA H 136 5.076 5.076 5.025 0.051 17850 7640 1 9 . 1 1 136 136 ILE C C 136 175.228 175.228 177.093 -1.865 17850 7641 1 9 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.522 -0.124 17850 7642 1 9 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.263 2.389 17850 7643 1 9 . 1 1 136 136 ILE H H 136 8.565 8.565 8.498 0.067 17850 7644 1 9 . 1 1 137 137 ASN N N 137 121.842 121.842 118.602 3.240 17850 7645 1 9 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.835 1.430 17850 7646 1 9 . 1 1 137 137 ASN C C 137 176.835 176.835 176.314 0.521 17850 7647 1 9 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.771 -3.744 17850 7648 1 9 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.756 1.957 17850 7649 1 9 . 1 1 137 137 ASN H H 137 8.767 8.767 8.639 0.128 17850 7650 1 9 . 1 1 138 138 ILE N N 138 118.075 118.075 118.185 -0.110 17850 7651 1 9 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.892 -0.140 17850 7652 1 9 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.288 0.484 17850 7653 1 9 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.995 0.558 17850 7654 1 9 . 1 1 138 138 ILE H H 138 8.418 8.418 8.420 -0.002 17850 7655 1 9 . 1 1 139 139 GLN N N 139 122.926 122.926 119.795 3.131 17850 7656 1 9 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.059 0.067 17850 7657 1 9 . 1 1 139 139 GLN C C 139 179.886 179.886 178.875 1.011 17850 7658 1 9 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.796 0.790 17850 7659 1 9 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.481 -0.696 17850 7660 1 9 . 1 1 139 139 GLN H H 139 7.632 7.632 8.005 -0.373 17850 7661 1 9 . 1 1 140 140 GLN N N 140 121.813 121.813 120.743 1.070 17850 7662 1 9 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.814 0.347 17850 7663 1 9 . 1 1 140 140 GLN C C 140 178.284 178.284 176.957 1.327 17850 7664 1 9 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.647 -0.431 17850 7665 1 9 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.403 0.035 17850 7666 1 9 . 1 1 140 140 GLN H H 140 8.416 8.416 8.924 -0.508 17850 7667 1 9 . 1 1 141 141 PHE N N 141 121.732 121.732 117.826 3.906 17850 7668 1 9 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.708 0.444 17850 7669 1 9 . 1 1 141 141 PHE C C 141 176.273 176.273 176.903 -0.630 17850 7670 1 9 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.314 0.646 17850 7671 1 9 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.037 2.024 17850 7672 1 9 . 1 1 141 141 PHE H H 141 9.030 9.030 7.868 1.162 17850 7673 1 9 . 1 1 142 142 ALA N N 142 119.852 119.852 121.076 -1.224 17850 7674 1 9 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.978 -0.175 17850 7675 1 9 . 1 1 142 142 ALA C C 142 180.733 180.733 180.199 0.534 17850 7676 1 9 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.536 0.674 17850 7677 1 9 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.168 -0.266 17850 7678 1 9 . 1 1 142 142 ALA H H 142 8.399 8.399 8.024 0.375 17850 7679 1 9 . 1 1 143 143 ALA N N 143 120.555 120.555 120.778 -0.223 17850 7680 1 9 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.912 0.202 17850 7681 1 9 . 1 1 143 143 ALA C C 143 180.455 180.455 179.685 0.770 17850 7682 1 9 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.097 -0.084 17850 7683 1 9 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.111 -1.262 17850 7684 1 9 . 1 1 143 143 ALA H H 143 7.627 7.627 7.360 0.267 17850 7685 1 9 . 1 1 144 144 LEU N N 144 121.054 121.054 113.295 7.759 17850 7686 1 9 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.037 -0.104 17850 7687 1 9 . 1 1 144 144 LEU C C 144 177.756 177.756 176.635 1.121 17850 7688 1 9 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.975 1.721 17850 7689 1 9 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.662 0.176 17850 7690 1 9 . 1 1 144 144 LEU H H 144 8.029 8.029 7.097 0.932 17850 7691 1 9 . 1 1 145 145 LEU N N 145 115.288 115.288 116.787 -1.499 17850 7692 1 9 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.444 -0.471 17850 7693 1 9 . 1 1 145 145 LEU C C 145 177.284 177.284 176.065 1.219 17850 7694 1 9 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.402 0.882 17850 7695 1 9 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.786 -1.176 17850 7696 1 9 . 1 1 145 145 LEU H H 145 7.309 7.309 7.455 -0.146 17850 7697 1 9 . 1 1 146 146 SER N N 146 114.503 114.503 118.841 -4.338 17850 7698 1 9 . 1 1 146 146 SER HA H 146 4.346 4.346 4.463 -0.117 17850 7699 1 9 . 1 1 146 146 SER C C 146 175.125 175.125 175.065 0.060 17850 7700 1 9 . 1 1 146 146 SER CA C 146 59.046 59.046 58.540 0.506 17850 7701 1 9 . 1 1 146 146 SER CB C 146 64.181 64.181 63.841 0.340 17850 7702 1 9 . 1 1 146 146 SER H H 146 7.506 7.506 7.446 0.060 17850 7703 1 9 . 1 1 147 147 LYS N N 147 123.315 123.315 120.389 2.926 17850 7704 1 9 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.022 0.145 17850 7705 1 9 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.185 1.497 17850 7706 1 9 . 1 1 147 147 LYS H H 147 8.329 8.329 8.429 -0.100 17850 7707 1 9 . 1 1 148 148 GLY N N 148 108.566 108.566 109.438 -0.872 17850 7708 1 9 . 1 1 148 148 GLY C C 148 174.394 174.394 174.406 -0.012 17850 7709 1 9 . 1 1 148 148 GLY CA C 148 45.528 45.528 44.181 1.347 17850 7710 1 9 . 1 1 148 148 GLY H H 148 8.353 8.353 7.826 0.527 17850 7711 1 9 . 1 1 149 149 SER N N 149 115.356 115.356 117.866 -2.510 17850 7712 1 9 . 1 1 149 149 SER HA H 149 4.484 4.484 4.303 0.181 17850 7713 1 9 . 1 1 149 149 SER C C 149 175.038 175.038 174.345 0.693 17850 7714 1 9 . 1 1 149 149 SER CA C 149 58.418 58.418 59.285 -0.867 17850 7715 1 9 . 1 1 149 149 SER CB C 149 64.171 64.171 62.864 1.307 17850 7716 1 9 . 1 1 149 149 SER H H 149 7.993 7.993 8.740 -0.747 17850 7717 1 9 . 1 1 150 150 SER N N 150 118.028 118.028 113.774 4.254 17850 7718 1 9 . 1 1 150 150 SER HA H 150 4.490 4.490 4.489 0.001 17850 7719 1 9 . 1 1 150 150 SER C C 150 175.034 175.034 174.543 0.491 17850 7720 1 9 . 1 1 150 150 SER CA C 150 59.029 59.029 57.721 1.308 17850 7721 1 9 . 1 1 150 150 SER CB C 150 63.407 63.407 64.615 -1.208 17850 7722 1 9 . 1 1 150 150 SER H H 150 8.530 8.530 7.972 0.558 17850 7723 1 10 . 1 1 1 1 GLY N N 1 109.911 109.911 109.506 0.405 17850 7724 1 10 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.374 1.062 17850 7725 1 10 . 1 1 1 1 GLY H H 1 8.410 8.410 8.068 0.342 17850 7726 1 10 . 1 1 2 2 SER N N 2 115.579 115.579 116.761 -1.182 17850 7727 1 10 . 1 1 2 2 SER HA H 2 4.474 4.474 4.074 0.400 17850 7728 1 10 . 1 1 2 2 SER C C 2 174.661 174.661 175.223 -0.562 17850 7729 1 10 . 1 1 2 2 SER CA C 2 58.374 58.374 58.672 -0.298 17850 7730 1 10 . 1 1 2 2 SER CB C 2 63.986 63.986 63.143 0.843 17850 7731 1 10 . 1 1 2 2 SER H H 2 8.207 8.207 8.213 -0.006 17850 7732 1 10 . 1 1 3 3 SER N N 3 117.154 117.154 122.347 -5.193 17850 7733 1 10 . 1 1 3 3 SER HA H 3 4.439 4.439 4.476 -0.037 17850 7734 1 10 . 1 1 3 3 SER C C 3 174.122 174.122 172.981 1.141 17850 7735 1 10 . 1 1 3 3 SER CA C 3 58.695 58.695 58.160 0.535 17850 7736 1 10 . 1 1 3 3 SER CB C 3 63.865 63.865 62.945 0.920 17850 7737 1 10 . 1 1 3 3 SER H H 3 8.337 8.337 8.840 -0.503 17850 7738 1 10 . 1 1 4 4 ASN N N 4 120.145 120.145 118.633 1.512 17850 7739 1 10 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.341 -0.615 17850 7740 1 10 . 1 1 4 4 ASN C C 4 174.741 174.741 174.996 -0.255 17850 7741 1 10 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.898 1.428 17850 7742 1 10 . 1 1 4 4 ASN CB C 4 38.802 38.802 41.344 -2.542 17850 7743 1 10 . 1 1 4 4 ASN H H 4 8.432 8.432 7.679 0.753 17850 7744 1 10 . 1 1 5 5 LEU N N 5 121.341 121.341 119.600 1.741 17850 7745 1 10 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.699 -0.020 17850 7746 1 10 . 1 1 5 5 LEU C C 5 177.641 177.641 177.641 0.000 17850 7747 1 10 . 1 1 5 5 LEU CA C 5 54.465 54.465 53.179 1.286 17850 7748 1 10 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.774 -1.061 17850 7749 1 10 . 1 1 5 5 LEU H H 5 7.966 7.966 8.169 -0.203 17850 7750 1 10 . 1 1 6 6 THR N N 6 113.168 113.168 116.458 -3.290 17850 7751 1 10 . 1 1 6 6 THR HA H 6 4.470 4.470 3.969 0.501 17850 7752 1 10 . 1 1 6 6 THR C C 6 175.390 175.390 175.695 -0.305 17850 7753 1 10 . 1 1 6 6 THR CA C 6 60.543 60.543 65.435 -4.892 17850 7754 1 10 . 1 1 6 6 THR CB C 6 71.190 71.190 68.319 2.871 17850 7755 1 10 . 1 1 6 6 THR H H 6 8.716 8.716 8.797 -0.081 17850 7756 1 10 . 1 1 7 7 GLU N N 7 120.480 120.480 119.097 1.383 17850 7757 1 10 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.209 -0.224 17850 7758 1 10 . 1 1 7 7 GLU C C 7 179.475 179.475 179.260 0.215 17850 7759 1 10 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.466 1.607 17850 7760 1 10 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.707 -0.414 17850 7761 1 10 . 1 1 7 7 GLU H H 7 8.997 8.997 7.785 1.212 17850 7762 1 10 . 1 1 8 8 GLU N N 8 119.766 119.766 119.373 0.393 17850 7763 1 10 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.447 -0.360 17850 7764 1 10 . 1 1 8 8 GLU C C 8 178.641 178.641 179.523 -0.882 17850 7765 1 10 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.878 0.957 17850 7766 1 10 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.951 -0.553 17850 7767 1 10 . 1 1 8 8 GLU H H 8 8.603 8.603 8.410 0.193 17850 7768 1 10 . 1 1 9 9 GLN N N 9 119.234 119.234 117.512 1.722 17850 7769 1 10 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.394 -0.465 17850 7770 1 10 . 1 1 9 9 GLN C C 9 178.969 178.969 177.353 1.616 17850 7771 1 10 . 1 1 9 9 GLN CA C 9 58.718 58.718 55.912 2.806 17850 7772 1 10 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.306 3.276 17850 7773 1 10 . 1 1 9 9 GLN H H 9 7.730 7.730 8.718 -0.988 17850 7774 1 10 . 1 1 10 10 ILE N N 10 119.661 119.661 118.775 0.886 17850 7775 1 10 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.108 -0.345 17850 7776 1 10 . 1 1 10 10 ILE C C 10 178.040 178.040 177.559 0.481 17850 7777 1 10 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.598 2.623 17850 7778 1 10 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.489 0.463 17850 7779 1 10 . 1 1 10 10 ILE H H 10 8.398 8.398 7.617 0.781 17850 7780 1 10 . 1 1 11 11 ALA N N 11 121.678 121.678 123.122 -1.444 17850 7781 1 10 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.022 0.111 17850 7782 1 10 . 1 1 11 11 ALA C C 11 181.140 181.140 179.953 1.187 17850 7783 1 10 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.624 0.830 17850 7784 1 10 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.972 -1.060 17850 7785 1 10 . 1 1 11 11 ALA H H 11 8.037 8.037 8.000 0.037 17850 7786 1 10 . 1 1 12 12 GLU N N 12 118.175 118.175 118.829 -0.654 17850 7787 1 10 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.136 -0.018 17850 7788 1 10 . 1 1 12 12 GLU C C 12 180.185 180.185 178.678 1.507 17850 7789 1 10 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.618 -0.423 17850 7790 1 10 . 1 1 12 12 GLU CB C 12 29.379 29.379 29.033 0.346 17850 7791 1 10 . 1 1 12 12 GLU H H 12 7.869 7.869 7.836 0.033 17850 7792 1 10 . 1 1 13 13 PHE N N 13 119.011 119.011 119.381 -0.370 17850 7793 1 10 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.166 0.724 17850 7794 1 10 . 1 1 13 13 PHE C C 13 178.486 178.486 178.082 0.404 17850 7795 1 10 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.582 -1.133 17850 7796 1 10 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.268 0.631 17850 7797 1 10 . 1 1 13 13 PHE H H 13 8.429 8.429 7.956 0.473 17850 7798 1 10 . 1 1 14 14 LYS N N 14 123.459 123.459 118.006 5.453 17850 7799 1 10 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.088 -0.056 17850 7800 1 10 . 1 1 14 14 LYS C C 14 179.131 179.131 178.624 0.507 17850 7801 1 10 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.910 1.580 17850 7802 1 10 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.244 -0.331 17850 7803 1 10 . 1 1 14 14 LYS H H 14 8.925 8.925 8.163 0.762 17850 7804 1 10 . 1 1 15 15 GLU N N 15 119.581 119.581 117.475 2.106 17850 7805 1 10 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.418 -0.250 17850 7806 1 10 . 1 1 15 15 GLU C C 15 179.163 179.163 177.459 1.704 17850 7807 1 10 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.495 0.890 17850 7808 1 10 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.619 -0.232 17850 7809 1 10 . 1 1 15 15 GLU H H 15 8.064 8.064 8.005 0.059 17850 7810 1 10 . 1 1 16 16 ALA N N 16 120.993 120.993 122.411 -1.418 17850 7811 1 10 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.356 0.886 17850 7812 1 10 . 1 1 16 16 ALA C C 16 177.628 177.628 177.993 -0.365 17850 7813 1 10 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.993 2.192 17850 7814 1 10 . 1 1 16 16 ALA CB C 16 17.924 17.924 20.167 -2.243 17850 7815 1 10 . 1 1 16 16 ALA H H 16 7.801 7.801 8.072 -0.271 17850 7816 1 10 . 1 1 17 17 PHE N N 17 118.745 118.745 119.153 -0.408 17850 7817 1 10 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.281 -0.927 17850 7818 1 10 . 1 1 17 17 PHE C C 17 177.500 177.500 176.613 0.887 17850 7819 1 10 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.909 1.791 17850 7820 1 10 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.082 1.896 17850 7821 1 10 . 1 1 17 17 PHE H H 17 8.469 8.469 7.931 0.538 17850 7822 1 10 . 1 1 18 18 ALA N N 18 119.942 119.942 118.045 1.897 17850 7823 1 10 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.736 0.274 17850 7824 1 10 . 1 1 18 18 ALA C C 18 178.535 178.535 178.327 0.208 17850 7825 1 10 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.197 0.219 17850 7826 1 10 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.355 0.132 17850 7827 1 10 . 1 1 18 18 ALA H H 18 8.187 8.187 7.303 0.884 17850 7828 1 10 . 1 1 19 19 LEU N N 19 116.851 116.851 115.287 1.564 17850 7829 1 10 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.186 -0.226 17850 7830 1 10 . 1 1 19 19 LEU C C 19 176.795 176.795 177.353 -0.558 17850 7831 1 10 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.778 2.657 17850 7832 1 10 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.842 -1.160 17850 7833 1 10 . 1 1 19 19 LEU H H 19 7.254 7.254 7.238 0.016 17850 7834 1 10 . 1 1 20 20 PHE N N 20 111.977 111.977 120.573 -8.596 17850 7835 1 10 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.113 0.146 17850 7836 1 10 . 1 1 20 20 PHE C C 20 177.033 177.033 176.579 0.454 17850 7837 1 10 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.072 -0.416 17850 7838 1 10 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.738 4.426 17850 7839 1 10 . 1 1 20 20 PHE H H 20 7.041 7.041 7.778 -0.737 17850 7840 1 10 . 1 1 21 21 ASP N N 21 116.981 116.981 124.680 -7.699 17850 7841 1 10 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.379 0.206 17850 7842 1 10 . 1 1 21 21 ASP C C 21 177.297 177.297 177.401 -0.104 17850 7843 1 10 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.059 -3.388 17850 7844 1 10 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.467 -1.465 17850 7845 1 10 . 1 1 21 21 ASP H H 21 7.567 7.567 8.313 -0.746 17850 7846 1 10 . 1 1 22 22 LYS N N 22 124.748 124.748 116.307 8.441 17850 7847 1 10 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.166 -0.174 17850 7848 1 10 . 1 1 22 22 LYS C C 22 177.866 177.866 176.097 1.769 17850 7849 1 10 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.530 1.703 17850 7850 1 10 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.480 0.147 17850 7851 1 10 . 1 1 22 22 LYS H H 22 7.820 7.820 8.139 -0.319 17850 7852 1 10 . 1 1 23 23 ASP N N 23 114.211 114.211 117.537 -3.326 17850 7853 1 10 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.517 0.086 17850 7854 1 10 . 1 1 23 23 ASP C C 23 176.266 176.266 175.497 0.769 17850 7855 1 10 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.745 -2.098 17850 7856 1 10 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.309 -0.027 17850 7857 1 10 . 1 1 23 23 ASP H H 23 8.025 8.025 8.402 -0.377 17850 7858 1 10 . 1 1 24 24 ASN N N 24 115.587 115.587 117.779 -2.192 17850 7859 1 10 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.762 -0.373 17850 7860 1 10 . 1 1 24 24 ASN C C 24 174.828 174.828 176.368 -1.540 17850 7861 1 10 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.642 1.865 17850 7862 1 10 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.867 -0.836 17850 7863 1 10 . 1 1 24 24 ASN H H 24 7.962 7.962 8.426 -0.464 17850 7864 1 10 . 1 1 25 25 ASN N N 25 117.385 117.385 118.219 -0.834 17850 7865 1 10 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.567 0.281 17850 7866 1 10 . 1 1 25 25 ASN C C 25 177.553 177.553 174.322 3.231 17850 7867 1 10 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.062 -0.747 17850 7868 1 10 . 1 1 25 25 ASN H H 25 8.489 8.489 7.927 0.562 17850 7869 1 10 . 1 1 26 26 GLY N N 26 113.934 113.934 107.375 6.559 17850 7870 1 10 . 1 1 26 26 GLY C C 26 173.371 173.371 173.536 -0.165 17850 7871 1 10 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.068 0.470 17850 7872 1 10 . 1 1 26 26 GLY H H 26 10.580 10.580 8.631 1.949 17850 7873 1 10 . 1 1 27 27 SER N N 27 113.842 113.842 122.311 -8.469 17850 7874 1 10 . 1 1 27 27 SER HA H 27 5.358 5.358 4.559 0.799 17850 7875 1 10 . 1 1 27 27 SER C C 27 172.645 172.645 174.992 -2.347 17850 7876 1 10 . 1 1 27 27 SER CA C 27 57.474 57.474 58.026 -0.552 17850 7877 1 10 . 1 1 27 27 SER CB C 27 66.576 66.576 63.205 3.371 17850 7878 1 10 . 1 1 27 27 SER H H 27 7.793 7.793 8.972 -1.179 17850 7879 1 10 . 1 1 28 28 ILE N N 28 127.597 127.597 128.245 -0.648 17850 7880 1 10 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.340 0.485 17850 7881 1 10 . 1 1 28 28 ILE C C 28 175.890 175.890 177.313 -1.423 17850 7882 1 10 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.388 -0.212 17850 7883 1 10 . 1 1 28 28 ILE CB C 28 39.094 39.094 40.227 -1.133 17850 7884 1 10 . 1 1 28 28 ILE H H 28 9.787 9.787 9.033 0.754 17850 7885 1 10 . 1 1 29 29 SER N N 29 124.860 124.860 117.029 7.831 17850 7886 1 10 . 1 1 29 29 SER HA H 29 4.813 4.813 4.194 0.619 17850 7887 1 10 . 1 1 29 29 SER C C 29 175.477 175.477 177.065 -1.588 17850 7888 1 10 . 1 1 29 29 SER CA C 29 56.583 56.583 61.209 -4.626 17850 7889 1 10 . 1 1 29 29 SER CB C 29 66.269 66.269 63.232 3.037 17850 7890 1 10 . 1 1 29 29 SER H H 29 9.320 9.320 9.034 0.286 17850 7891 1 10 . 1 1 30 30 SER N N 30 117.383 117.383 116.439 0.944 17850 7892 1 10 . 1 1 30 30 SER HA H 30 4.141 4.141 4.188 -0.047 17850 7893 1 10 . 1 1 30 30 SER C C 30 176.531 176.531 175.472 1.059 17850 7894 1 10 . 1 1 30 30 SER CA C 30 62.690 62.690 61.109 1.581 17850 7895 1 10 . 1 1 30 30 SER CB C 30 62.264 62.264 63.011 -0.747 17850 7896 1 10 . 1 1 30 30 SER H H 30 9.554 9.554 7.914 1.640 17850 7897 1 10 . 1 1 31 31 SER N N 31 116.232 116.232 116.481 -0.249 17850 7898 1 10 . 1 1 31 31 SER HA H 31 4.309 4.309 4.253 0.056 17850 7899 1 10 . 1 1 31 31 SER C C 31 178.017 178.017 176.641 1.376 17850 7900 1 10 . 1 1 31 31 SER CA C 31 61.332 61.332 60.116 1.216 17850 7901 1 10 . 1 1 31 31 SER CB C 31 62.512 62.512 63.500 -0.988 17850 7902 1 10 . 1 1 31 31 SER H H 31 8.141 8.141 7.293 0.848 17850 7903 1 10 . 1 1 32 32 GLU N N 32 125.663 125.663 119.952 5.711 17850 7904 1 10 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.037 0.016 17850 7905 1 10 . 1 1 32 32 GLU C C 32 179.222 179.222 178.066 1.156 17850 7906 1 10 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.651 0.048 17850 7907 1 10 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.666 -0.414 17850 7908 1 10 . 1 1 32 32 GLU H H 32 7.947 7.947 8.544 -0.597 17850 7909 1 10 . 1 1 33 33 LEU N N 33 120.624 120.624 116.713 3.911 17850 7910 1 10 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.086 0.082 17850 7911 1 10 . 1 1 33 33 LEU C C 33 178.493 178.493 178.464 0.029 17850 7912 1 10 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.544 1.363 17850 7913 1 10 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.013 1.304 17850 7914 1 10 . 1 1 33 33 LEU H H 33 8.424 8.424 8.354 0.070 17850 7915 1 10 . 1 1 34 34 ALA N N 34 119.635 119.635 121.977 -2.342 17850 7916 1 10 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.077 -0.253 17850 7917 1 10 . 1 1 34 34 ALA C C 34 179.360 179.360 179.069 0.291 17850 7918 1 10 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.131 -0.535 17850 7919 1 10 . 1 1 34 34 ALA CB C 34 18.677 18.677 19.008 -0.331 17850 7920 1 10 . 1 1 34 34 ALA H H 34 8.410 8.410 7.517 0.893 17850 7921 1 10 . 1 1 35 35 THR N N 35 114.602 114.602 116.721 -2.119 17850 7922 1 10 . 1 1 35 35 THR HA H 35 3.886 3.886 3.976 -0.090 17850 7923 1 10 . 1 1 35 35 THR C C 35 177.278 177.278 175.757 1.521 17850 7924 1 10 . 1 1 35 35 THR CA C 35 67.317 67.317 65.590 1.727 17850 7925 1 10 . 1 1 35 35 THR CB C 35 68.774 68.774 69.179 -0.405 17850 7926 1 10 . 1 1 35 35 THR H H 35 8.263 8.263 8.036 0.227 17850 7927 1 10 . 1 1 36 36 VAL N N 36 122.295 122.295 118.530 3.765 17850 7928 1 10 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.593 0.012 17850 7929 1 10 . 1 1 36 36 VAL C C 36 178.653 178.653 178.250 0.403 17850 7930 1 10 . 1 1 36 36 VAL CA C 36 66.738 66.738 65.773 0.965 17850 7931 1 10 . 1 1 36 36 VAL CB C 36 31.303 31.303 30.511 0.792 17850 7932 1 10 . 1 1 36 36 VAL H H 36 7.790 7.790 7.726 0.064 17850 7933 1 10 . 1 1 37 37 MET N N 37 117.677 117.677 116.815 0.862 17850 7934 1 10 . 1 1 37 37 MET HA H 37 3.642 3.642 4.455 -0.813 17850 7935 1 10 . 1 1 37 37 MET C C 37 178.172 178.172 179.370 -1.198 17850 7936 1 10 . 1 1 37 37 MET CA C 37 60.506 60.506 57.974 2.532 17850 7937 1 10 . 1 1 37 37 MET CB C 37 32.347 32.347 31.713 0.634 17850 7938 1 10 . 1 1 37 37 MET H H 37 8.081 8.081 7.935 0.146 17850 7939 1 10 . 1 1 38 38 ARG N N 38 118.309 118.309 121.514 -3.205 17850 7940 1 10 . 1 1 38 38 ARG HA H 38 4.688 4.688 3.992 0.696 17850 7941 1 10 . 1 1 38 38 ARG C C 38 181.486 181.486 177.251 4.235 17850 7942 1 10 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.984 0.117 17850 7943 1 10 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.899 0.113 17850 7944 1 10 . 1 1 38 38 ARG H H 38 8.547 8.547 7.598 0.949 17850 7945 1 10 . 1 1 39 39 SER N N 39 119.250 119.250 109.604 9.646 17850 7946 1 10 . 1 1 39 39 SER HA H 39 4.301 4.301 4.271 0.030 17850 7947 1 10 . 1 1 39 39 SER C C 39 174.899 174.899 174.422 0.477 17850 7948 1 10 . 1 1 39 39 SER CA C 39 61.925 61.925 58.864 3.061 17850 7949 1 10 . 1 1 39 39 SER CB C 39 62.773 62.773 63.659 -0.886 17850 7950 1 10 . 1 1 39 39 SER H H 39 8.226 8.226 7.667 0.559 17850 7951 1 10 . 1 1 40 40 LEU N N 40 119.516 119.516 116.821 2.695 17850 7952 1 10 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.039 0.231 17850 7953 1 10 . 1 1 40 40 LEU C C 40 176.681 176.681 176.555 0.126 17850 7954 1 10 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.397 0.186 17850 7955 1 10 . 1 1 40 40 LEU H H 40 7.343 7.343 7.611 -0.268 17850 7956 1 10 . 1 1 41 41 GLY N N 41 105.983 105.983 108.218 -2.235 17850 7957 1 10 . 1 1 41 41 GLY C C 41 174.471 174.471 175.391 -0.920 17850 7958 1 10 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.744 0.495 17850 7959 1 10 . 1 1 41 41 GLY H H 41 7.858 7.858 8.292 -0.434 17850 7960 1 10 . 1 1 42 42 LEU N N 42 120.442 120.442 119.191 1.251 17850 7961 1 10 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.529 -0.058 17850 7962 1 10 . 1 1 42 42 LEU C C 42 175.965 175.965 174.466 1.499 17850 7963 1 10 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.930 1.315 17850 7964 1 10 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.226 0.305 17850 7965 1 10 . 1 1 42 42 LEU H H 42 7.707 7.707 8.239 -0.532 17850 7966 1 10 . 1 1 43 43 SER HA H 43 4.798 4.798 4.563 0.235 17850 7967 1 10 . 1 1 43 43 SER CA C 43 54.912 54.912 57.360 -2.448 17850 7968 1 10 . 1 1 43 43 SER CB C 43 63.197 63.197 63.444 -0.247 17850 7969 1 10 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.625 0.167 17850 7970 1 10 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.235 -0.354 17850 7971 1 10 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.968 -1.768 17850 7972 1 10 . 1 1 45 45 SER N N 45 119.898 119.898 122.037 -2.139 17850 7973 1 10 . 1 1 45 45 SER HA H 45 4.611 4.611 4.006 0.605 17850 7974 1 10 . 1 1 45 45 SER C C 45 174.913 174.913 176.207 -1.294 17850 7975 1 10 . 1 1 45 45 SER CA C 45 56.689 56.689 61.715 -5.026 17850 7976 1 10 . 1 1 45 45 SER CB C 45 65.502 65.502 63.242 2.260 17850 7977 1 10 . 1 1 45 45 SER H H 45 9.387 9.387 9.100 0.287 17850 7978 1 10 . 1 1 46 46 GLU N N 46 121.468 121.468 118.342 3.126 17850 7979 1 10 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.169 -0.230 17850 7980 1 10 . 1 1 46 46 GLU C C 46 179.002 179.002 178.886 0.116 17850 7981 1 10 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.336 0.799 17850 7982 1 10 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.772 0.575 17850 7983 1 10 . 1 1 46 46 GLU H H 46 8.913 8.913 8.571 0.342 17850 7984 1 10 . 1 1 47 47 ALA N N 47 121.115 121.115 121.532 -0.417 17850 7985 1 10 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.133 0.019 17850 7986 1 10 . 1 1 47 47 ALA C C 47 179.962 179.962 180.188 -0.226 17850 7987 1 10 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.510 0.608 17850 7988 1 10 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.211 -0.856 17850 7989 1 10 . 1 1 47 47 ALA H H 47 8.324 8.324 7.852 0.472 17850 7990 1 10 . 1 1 48 48 GLU N N 48 118.713 118.713 120.908 -2.195 17850 7991 1 10 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.756 0.348 17850 7992 1 10 . 1 1 48 48 GLU C C 48 179.558 179.558 178.564 0.994 17850 7993 1 10 . 1 1 48 48 GLU CA C 48 59.218 59.218 60.724 -1.506 17850 7994 1 10 . 1 1 48 48 GLU CB C 48 29.904 29.904 29.044 0.860 17850 7995 1 10 . 1 1 48 48 GLU H H 48 7.756 7.756 8.906 -1.150 17850 7996 1 10 . 1 1 49 49 VAL N N 49 119.108 119.108 119.548 -0.440 17850 7997 1 10 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.753 -0.289 17850 7998 1 10 . 1 1 49 49 VAL C C 49 177.505 177.505 177.861 -0.356 17850 7999 1 10 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.083 2.388 17850 8000 1 10 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.198 0.243 17850 8001 1 10 . 1 1 49 49 VAL H H 49 8.129 8.129 7.770 0.359 17850 8002 1 10 . 1 1 50 50 ASN N N 50 117.942 117.942 118.863 -0.921 17850 8003 1 10 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.482 -0.094 17850 8004 1 10 . 1 1 50 50 ASN C C 50 177.275 177.275 177.108 0.167 17850 8005 1 10 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.418 1.363 17850 8006 1 10 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.370 0.027 17850 8007 1 10 . 1 1 50 50 ASN H H 50 8.071 8.071 7.673 0.398 17850 8008 1 10 . 1 1 51 51 ASP N N 51 120.669 120.669 118.635 2.034 17850 8009 1 10 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.562 -0.071 17850 8010 1 10 . 1 1 51 51 ASP C C 51 179.203 179.203 178.216 0.987 17850 8011 1 10 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.130 1.465 17850 8012 1 10 . 1 1 51 51 ASP CB C 51 40.314 40.314 40.956 -0.642 17850 8013 1 10 . 1 1 51 51 ASP H H 51 8.364 8.364 8.265 0.099 17850 8014 1 10 . 1 1 52 52 LEU N N 52 122.409 122.409 116.747 5.662 17850 8015 1 10 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.227 -0.157 17850 8016 1 10 . 1 1 52 52 LEU C C 52 179.017 179.017 177.707 1.310 17850 8017 1 10 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.517 0.940 17850 8018 1 10 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.469 0.612 17850 8019 1 10 . 1 1 52 52 LEU H H 52 8.018 8.018 8.409 -0.391 17850 8020 1 10 . 1 1 53 53 MET N N 53 117.391 117.391 118.717 -1.326 17850 8021 1 10 . 1 1 53 53 MET HA H 53 4.112 4.112 4.439 -0.327 17850 8022 1 10 . 1 1 53 53 MET CA C 53 57.472 57.472 57.576 -0.104 17850 8023 1 10 . 1 1 53 53 MET CB C 53 30.021 30.021 33.201 -3.180 17850 8024 1 10 . 1 1 53 53 MET H H 53 8.562 8.562 8.383 0.179 17850 8025 1 10 . 1 1 54 54 ASN N N 54 115.554 115.554 116.223 -0.669 17850 8026 1 10 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.703 -0.145 17850 8027 1 10 . 1 1 54 54 ASN C C 54 176.801 176.801 175.297 1.504 17850 8028 1 10 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.905 1.392 17850 8029 1 10 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.392 -1.235 17850 8030 1 10 . 1 1 54 54 ASN H H 54 8.204 8.204 7.654 0.550 17850 8031 1 10 . 1 1 55 55 GLU N N 55 117.659 117.659 113.978 3.681 17850 8032 1 10 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.423 -0.221 17850 8033 1 10 . 1 1 55 55 GLU C C 55 177.093 177.093 176.812 0.281 17850 8034 1 10 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.168 2.659 17850 8035 1 10 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.338 -0.318 17850 8036 1 10 . 1 1 55 55 GLU H H 55 7.617 7.617 7.183 0.434 17850 8037 1 10 . 1 1 56 56 ILE N N 56 117.618 117.618 123.875 -6.257 17850 8038 1 10 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.257 -0.373 17850 8039 1 10 . 1 1 56 56 ILE C C 56 176.029 176.029 176.996 -0.967 17850 8040 1 10 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.879 -0.065 17850 8041 1 10 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.416 1.512 17850 8042 1 10 . 1 1 56 56 ILE H H 56 7.472 7.472 7.827 -0.355 17850 8043 1 10 . 1 1 57 57 ASP N N 57 118.636 118.636 126.566 -7.930 17850 8044 1 10 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.540 -0.128 17850 8045 1 10 . 1 1 57 57 ASP C C 57 175.691 175.691 176.455 -0.764 17850 8046 1 10 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.882 -1.349 17850 8047 1 10 . 1 1 57 57 ASP CB C 57 41.245 41.245 42.014 -0.769 17850 8048 1 10 . 1 1 57 57 ASP H H 57 8.304 8.304 9.032 -0.728 17850 8049 1 10 . 1 1 58 58 VAL N N 58 126.376 126.376 118.787 7.589 17850 8050 1 10 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.105 -0.111 17850 8051 1 10 . 1 1 58 58 VAL C C 58 177.258 177.258 176.964 0.294 17850 8052 1 10 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.943 2.391 17850 8053 1 10 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.767 1.540 17850 8054 1 10 . 1 1 58 58 VAL H H 58 7.926 7.926 7.608 0.318 17850 8055 1 10 . 1 1 59 59 ASP N N 59 117.093 117.093 119.724 -2.631 17850 8056 1 10 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.271 0.286 17850 8057 1 10 . 1 1 59 59 ASP C C 59 177.759 177.759 176.783 0.976 17850 8058 1 10 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.765 -0.889 17850 8059 1 10 . 1 1 59 59 ASP H H 59 8.363 8.363 8.330 0.033 17850 8060 1 10 . 1 1 60 60 GLY N N 60 108.290 108.290 108.213 0.077 17850 8061 1 10 . 1 1 60 60 GLY C C 60 174.700 174.700 174.637 0.063 17850 8062 1 10 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.684 3.436 17850 8063 1 10 . 1 1 60 60 GLY H H 60 7.636 7.636 9.011 -1.375 17850 8064 1 10 . 1 1 61 61 ASN N N 61 118.884 118.884 117.411 1.473 17850 8065 1 10 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.278 0.251 17850 8066 1 10 . 1 1 61 61 ASN C C 61 175.856 175.856 173.140 2.716 17850 8067 1 10 . 1 1 61 61 ASN CA C 61 52.360 52.360 55.055 -2.695 17850 8068 1 10 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.852 0.325 17850 8069 1 10 . 1 1 61 61 ASN H H 61 8.078 8.078 9.025 -0.947 17850 8070 1 10 . 1 1 62 62 HIS N N 62 117.381 117.381 112.631 4.750 17850 8071 1 10 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.062 -1.185 17850 8072 1 10 . 1 1 62 62 HIS C C 62 172.310 172.310 172.859 -0.549 17850 8073 1 10 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.597 1.776 17850 8074 1 10 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.587 -8.853 17850 8075 1 10 . 1 1 62 62 HIS H H 62 9.958 9.958 8.288 1.670 17850 8076 1 10 . 1 1 63 63 GLN N N 63 112.906 112.906 117.867 -4.961 17850 8077 1 10 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.163 -0.331 17850 8078 1 10 . 1 1 63 63 GLN C C 63 174.861 174.861 175.718 -0.857 17850 8079 1 10 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.096 -0.221 17850 8080 1 10 . 1 1 63 63 GLN CB C 63 32.150 32.150 31.003 1.147 17850 8081 1 10 . 1 1 63 63 GLN H H 63 7.535 7.535 7.947 -0.412 17850 8082 1 10 . 1 1 64 64 ILE N N 64 124.083 124.083 126.774 -2.691 17850 8083 1 10 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.836 0.236 17850 8084 1 10 . 1 1 64 64 ILE C C 64 176.670 176.670 176.179 0.491 17850 8085 1 10 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.968 -0.297 17850 8086 1 10 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.481 -1.314 17850 8087 1 10 . 1 1 64 64 ILE H H 64 9.274 9.274 8.511 0.763 17850 8088 1 10 . 1 1 65 65 GLU N N 65 129.276 129.276 120.663 8.613 17850 8089 1 10 . 1 1 65 65 GLU HA H 65 5.040 5.040 3.232 1.808 17850 8090 1 10 . 1 1 65 65 GLU C C 65 178.156 178.156 176.843 1.313 17850 8091 1 10 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.706 0.142 17850 8092 1 10 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.532 1.648 17850 8093 1 10 . 1 1 65 65 GLU H H 65 8.848 8.848 8.940 -0.092 17850 8094 1 10 . 1 1 66 66 PHE N N 66 124.260 124.260 118.824 5.436 17850 8095 1 10 . 1 1 66 66 PHE HA H 66 3.690 3.690 4.002 -0.312 17850 8096 1 10 . 1 1 66 66 PHE C C 66 177.294 177.294 176.496 0.798 17850 8097 1 10 . 1 1 66 66 PHE CA C 66 62.020 62.020 59.869 2.151 17850 8098 1 10 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.489 -0.535 17850 8099 1 10 . 1 1 66 66 PHE H H 66 9.353 9.353 8.130 1.223 17850 8100 1 10 . 1 1 67 67 SER N N 67 112.827 112.827 116.027 -3.200 17850 8101 1 10 . 1 1 67 67 SER HA H 67 3.726 3.726 4.217 -0.491 17850 8102 1 10 . 1 1 67 67 SER C C 67 177.352 177.352 176.035 1.317 17850 8103 1 10 . 1 1 67 67 SER CA C 67 61.581 61.581 60.421 1.160 17850 8104 1 10 . 1 1 67 67 SER CB C 67 61.379 61.379 63.096 -1.717 17850 8105 1 10 . 1 1 67 67 SER H H 67 9.035 9.035 7.926 1.109 17850 8106 1 10 . 1 1 68 68 GLU N N 68 123.071 123.071 121.037 2.034 17850 8107 1 10 . 1 1 68 68 GLU HA H 68 4.135 4.135 4.016 0.119 17850 8108 1 10 . 1 1 68 68 GLU C C 68 178.895 178.895 177.900 0.995 17850 8109 1 10 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.011 -2.033 17850 8110 1 10 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.485 -1.208 17850 8111 1 10 . 1 1 68 68 GLU H H 68 6.829 6.829 8.791 -1.962 17850 8112 1 10 . 1 1 69 69 PHE N N 69 123.805 123.805 116.977 6.828 17850 8113 1 10 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.200 -0.301 17850 8114 1 10 . 1 1 69 69 PHE C C 69 176.325 176.325 175.932 0.393 17850 8115 1 10 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.127 1.299 17850 8116 1 10 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.428 3.000 17850 8117 1 10 . 1 1 69 69 PHE H H 69 8.245 8.245 7.548 0.697 17850 8118 1 10 . 1 1 70 70 LEU N N 70 119.210 119.210 119.181 0.029 17850 8119 1 10 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.073 -0.837 17850 8120 1 10 . 1 1 70 70 LEU C C 70 179.131 179.131 177.611 1.520 17850 8121 1 10 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.439 1.038 17850 8122 1 10 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.666 -0.338 17850 8123 1 10 . 1 1 70 70 LEU H H 70 8.788 8.788 7.103 1.685 17850 8124 1 10 . 1 1 71 71 ALA N N 71 121.612 121.612 121.391 0.221 17850 8125 1 10 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.994 -0.085 17850 8126 1 10 . 1 1 71 71 ALA C C 71 179.804 179.804 178.990 0.814 17850 8127 1 10 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.859 0.257 17850 8128 1 10 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.657 -1.895 17850 8129 1 10 . 1 1 71 71 ALA H H 71 7.365 7.365 7.421 -0.056 17850 8130 1 10 . 1 1 72 72 LEU N N 72 118.944 118.944 118.118 0.826 17850 8131 1 10 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.925 0.039 17850 8132 1 10 . 1 1 72 72 LEU C C 72 178.415 178.415 177.568 0.847 17850 8133 1 10 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.962 0.855 17850 8134 1 10 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.559 -0.091 17850 8135 1 10 . 1 1 72 72 LEU H H 72 7.142 7.142 7.360 -0.218 17850 8136 1 10 . 1 1 73 73 MET N N 73 114.500 114.500 114.717 -0.217 17850 8137 1 10 . 1 1 73 73 MET HA H 73 3.978 3.978 4.621 -0.643 17850 8138 1 10 . 1 1 73 73 MET C C 73 178.283 178.283 175.912 2.371 17850 8139 1 10 . 1 1 73 73 MET CA C 73 55.701 55.701 53.922 1.779 17850 8140 1 10 . 1 1 73 73 MET CB C 73 30.742 30.742 32.279 -1.537 17850 8141 1 10 . 1 1 73 73 MET H H 73 7.726 7.726 7.626 0.100 17850 8142 1 10 . 1 1 74 74 SER N N 74 112.626 112.626 115.813 -3.187 17850 8143 1 10 . 1 1 74 74 SER HA H 74 4.287 4.287 4.555 -0.268 17850 8144 1 10 . 1 1 74 74 SER C C 74 174.717 174.717 175.487 -0.770 17850 8145 1 10 . 1 1 74 74 SER CA C 74 59.582 59.582 58.756 0.826 17850 8146 1 10 . 1 1 74 74 SER CB C 74 63.746 63.746 64.036 -0.290 17850 8147 1 10 . 1 1 74 74 SER H H 74 7.857 7.857 8.388 -0.531 17850 8148 1 10 . 1 1 75 75 ARG N N 75 122.130 122.130 119.294 2.836 17850 8149 1 10 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.090 0.057 17850 8150 1 10 . 1 1 75 75 ARG CA C 75 57.775 57.775 58.197 -0.422 17850 8151 1 10 . 1 1 75 75 ARG CB C 75 30.666 30.666 30.677 -0.011 17850 8152 1 10 . 1 1 75 75 ARG H H 75 7.208 7.208 7.995 -0.787 17850 8153 1 10 . 1 1 76 76 GLN N N 76 121.749 121.749 119.082 2.667 17850 8154 1 10 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.034 0.250 17850 8155 1 10 . 1 1 76 76 GLN CA C 76 56.193 56.193 57.123 -0.930 17850 8156 1 10 . 1 1 76 76 GLN CB C 76 29.057 29.057 28.323 0.734 17850 8157 1 10 . 1 1 76 76 GLN H H 76 8.327 8.327 8.203 0.124 17850 8158 1 10 . 1 1 77 77 LEU N N 77 124.093 124.093 124.116 -0.023 17850 8159 1 10 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.336 0.103 17850 8160 1 10 . 1 1 77 77 LEU C C 77 177.670 177.670 178.295 -0.625 17850 8161 1 10 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.023 0.261 17850 8162 1 10 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.459 -0.679 17850 8163 1 10 . 1 1 77 77 LEU H H 77 8.264 8.264 8.450 -0.186 17850 8164 1 10 . 1 1 78 78 LYS N N 78 121.053 121.053 121.341 -0.288 17850 8165 1 10 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.129 0.278 17850 8166 1 10 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.457 -1.272 17850 8167 1 10 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.494 0.783 17850 8168 1 10 . 1 1 78 78 LYS H H 78 8.433 8.433 8.514 -0.081 17850 8169 1 10 . 1 1 79 79 SER N N 79 116.423 116.423 118.242 -1.819 17850 8170 1 10 . 1 1 79 79 SER HA H 79 4.321 4.321 4.466 -0.145 17850 8171 1 10 . 1 1 79 79 SER C C 79 175.145 175.145 174.093 1.052 17850 8172 1 10 . 1 1 79 79 SER CA C 79 59.795 59.795 57.728 2.067 17850 8173 1 10 . 1 1 79 79 SER CB C 79 63.226 63.226 62.066 1.160 17850 8174 1 10 . 1 1 79 79 SER H H 79 8.448 8.448 8.508 -0.060 17850 8175 1 10 . 1 1 80 80 ASN N N 80 119.581 119.581 120.185 -0.604 17850 8176 1 10 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.322 0.377 17850 8177 1 10 . 1 1 80 80 ASN C C 80 175.726 175.726 177.137 -1.411 17850 8178 1 10 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.062 -1.649 17850 8179 1 10 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.408 1.180 17850 8180 1 10 . 1 1 80 80 ASN H H 80 8.513 8.513 8.651 -0.138 17850 8181 1 10 . 1 1 81 81 ASP N N 81 120.378 120.378 122.142 -1.764 17850 8182 1 10 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.312 0.318 17850 8183 1 10 . 1 1 81 81 ASP C C 81 177.281 177.281 178.121 -0.840 17850 8184 1 10 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.370 -1.776 17850 8185 1 10 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.321 1.285 17850 8186 1 10 . 1 1 81 81 ASP H H 81 7.957 7.957 8.611 -0.654 17850 8187 1 10 . 1 1 82 82 SER N N 82 117.046 117.046 117.649 -0.603 17850 8188 1 10 . 1 1 82 82 SER HA H 82 4.194 4.194 3.933 0.261 17850 8189 1 10 . 1 1 82 82 SER C C 82 176.745 176.745 176.916 -0.171 17850 8190 1 10 . 1 1 82 82 SER CA C 82 61.376 61.376 61.589 -0.213 17850 8191 1 10 . 1 1 82 82 SER CB C 82 62.896 62.896 62.736 0.160 17850 8192 1 10 . 1 1 82 82 SER H H 82 8.469 8.469 8.648 -0.179 17850 8193 1 10 . 1 1 83 83 GLU N N 83 122.405 122.405 119.265 3.140 17850 8194 1 10 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.049 0.051 17850 8195 1 10 . 1 1 83 83 GLU C C 83 178.740 178.740 178.667 0.073 17850 8196 1 10 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.699 -0.234 17850 8197 1 10 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.640 -0.235 17850 8198 1 10 . 1 1 83 83 GLU H H 83 8.357 8.357 8.440 -0.083 17850 8199 1 10 . 1 1 84 84 GLN N N 84 118.604 118.604 119.843 -1.239 17850 8200 1 10 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.080 0.029 17850 8201 1 10 . 1 1 84 84 GLN C C 84 178.533 178.533 178.759 -0.226 17850 8202 1 10 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.412 0.055 17850 8203 1 10 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.010 0.411 17850 8204 1 10 . 1 1 84 84 GLN H H 84 7.988 7.988 7.866 0.122 17850 8205 1 10 . 1 1 85 85 GLU N N 85 119.418 119.418 119.947 -0.529 17850 8206 1 10 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.172 -0.230 17850 8207 1 10 . 1 1 85 85 GLU C C 85 178.250 178.250 178.996 -0.746 17850 8208 1 10 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.289 0.835 17850 8209 1 10 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.149 0.423 17850 8210 1 10 . 1 1 85 85 GLU H H 85 8.228 8.228 8.595 -0.367 17850 8211 1 10 . 1 1 86 86 LEU N N 86 120.010 120.010 118.197 1.813 17850 8212 1 10 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.119 0.040 17850 8213 1 10 . 1 1 86 86 LEU C C 86 178.534 178.534 179.134 -0.600 17850 8214 1 10 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.681 -0.474 17850 8215 1 10 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.878 0.748 17850 8216 1 10 . 1 1 86 86 LEU H H 86 7.797 7.797 8.223 -0.426 17850 8217 1 10 . 1 1 87 87 LEU N N 87 119.111 119.111 119.593 -0.482 17850 8218 1 10 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.043 0.061 17850 8219 1 10 . 1 1 87 87 LEU C C 87 179.333 179.333 179.135 0.198 17850 8220 1 10 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.175 0.069 17850 8221 1 10 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.728 0.038 17850 8222 1 10 . 1 1 87 87 LEU H H 87 7.825 7.825 8.772 -0.947 17850 8223 1 10 . 1 1 88 88 GLU N N 88 117.514 117.514 117.626 -0.112 17850 8224 1 10 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.612 -0.511 17850 8225 1 10 . 1 1 88 88 GLU C C 88 179.461 179.461 178.088 1.373 17850 8226 1 10 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.141 0.875 17850 8227 1 10 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.686 -1.016 17850 8228 1 10 . 1 1 88 88 GLU H H 88 8.265 8.265 7.889 0.376 17850 8229 1 10 . 1 1 89 89 ALA N N 89 120.734 120.734 125.019 -4.285 17850 8230 1 10 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.838 0.329 17850 8231 1 10 . 1 1 89 89 ALA C C 89 178.362 178.362 178.429 -0.067 17850 8232 1 10 . 1 1 89 89 ALA CA C 89 55.077 55.077 55.563 -0.486 17850 8233 1 10 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.636 -1.653 17850 8234 1 10 . 1 1 89 89 ALA H H 89 8.192 8.192 8.526 -0.334 17850 8235 1 10 . 1 1 90 90 PHE N N 90 119.339 119.339 117.189 2.150 17850 8236 1 10 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.337 -1.138 17850 8237 1 10 . 1 1 90 90 PHE C C 90 177.497 177.497 176.334 1.163 17850 8238 1 10 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.385 1.800 17850 8239 1 10 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.288 1.532 17850 8240 1 10 . 1 1 90 90 PHE H H 90 8.685 8.685 8.494 0.191 17850 8241 1 10 . 1 1 91 91 LYS N N 91 116.189 116.189 118.243 -2.054 17850 8242 1 10 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.242 -0.294 17850 8243 1 10 . 1 1 91 91 LYS C C 91 178.236 178.236 176.682 1.554 17850 8244 1 10 . 1 1 91 91 LYS CA C 91 59.514 59.514 57.362 2.152 17850 8245 1 10 . 1 1 91 91 LYS CB C 91 32.871 32.871 33.227 -0.356 17850 8246 1 10 . 1 1 91 91 LYS H H 91 8.112 8.112 7.844 0.268 17850 8247 1 10 . 1 1 92 92 VAL N N 92 117.696 117.696 118.084 -0.388 17850 8248 1 10 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.940 -0.368 17850 8249 1 10 . 1 1 92 92 VAL C C 92 176.545 176.545 176.411 0.134 17850 8250 1 10 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.822 0.750 17850 8251 1 10 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.929 -1.503 17850 8252 1 10 . 1 1 92 92 VAL H H 92 7.383 7.383 7.593 -0.210 17850 8253 1 10 . 1 1 93 93 PHE N N 93 114.826 114.826 118.226 -3.400 17850 8254 1 10 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.418 -0.191 17850 8255 1 10 . 1 1 93 93 PHE C C 93 176.417 176.417 175.848 0.569 17850 8256 1 10 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.798 0.802 17850 8257 1 10 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.626 2.570 17850 8258 1 10 . 1 1 93 93 PHE H H 93 7.116 7.116 7.870 -0.754 17850 8259 1 10 . 1 1 94 94 ASP N N 94 116.753 116.753 126.455 -9.702 17850 8260 1 10 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.512 0.019 17850 8261 1 10 . 1 1 94 94 ASP C C 94 177.305 177.305 177.284 0.021 17850 8262 1 10 . 1 1 94 94 ASP CA C 94 52.471 52.471 54.980 -2.509 17850 8263 1 10 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.700 -1.859 17850 8264 1 10 . 1 1 94 94 ASP H H 94 7.849 7.849 7.972 -0.123 17850 8265 1 10 . 1 1 95 95 LYS N N 95 125.185 125.185 119.937 5.248 17850 8266 1 10 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.139 -0.136 17850 8267 1 10 . 1 1 95 95 LYS C C 95 178.261 178.261 177.314 0.947 17850 8268 1 10 . 1 1 95 95 LYS CA C 95 58.077 58.077 57.348 0.729 17850 8269 1 10 . 1 1 95 95 LYS CB C 95 32.190 32.190 34.131 -1.941 17850 8270 1 10 . 1 1 95 95 LYS H H 95 7.755 7.755 8.798 -1.043 17850 8271 1 10 . 1 1 96 96 ASN N N 96 112.542 112.542 119.856 -7.314 17850 8272 1 10 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.422 0.363 17850 8273 1 10 . 1 1 96 96 ASN C C 96 176.469 176.469 174.518 1.951 17850 8274 1 10 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.002 -1.141 17850 8275 1 10 . 1 1 96 96 ASN H H 96 8.069 8.069 8.191 -0.122 17850 8276 1 10 . 1 1 97 97 GLY N N 97 109.956 109.956 109.754 0.202 17850 8277 1 10 . 1 1 97 97 GLY C C 97 175.032 175.032 175.862 -0.830 17850 8278 1 10 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.324 3.384 17850 8279 1 10 . 1 1 97 97 GLY H H 97 7.686 7.686 8.558 -0.872 17850 8280 1 10 . 1 1 98 98 ASP N N 98 119.383 119.383 120.644 -1.261 17850 8281 1 10 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.377 0.176 17850 8282 1 10 . 1 1 98 98 ASP C C 98 177.274 177.274 174.600 2.674 17850 8283 1 10 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.777 -1.443 17850 8284 1 10 . 1 1 98 98 ASP H H 98 8.249 8.249 8.065 0.184 17850 8285 1 10 . 1 1 99 99 GLY N N 99 112.398 112.398 105.585 6.813 17850 8286 1 10 . 1 1 99 99 GLY C C 99 173.128 173.128 173.661 -0.533 17850 8287 1 10 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.739 1.990 17850 8288 1 10 . 1 1 99 99 GLY H H 99 10.390 10.390 8.077 2.313 17850 8289 1 10 . 1 1 100 100 LEU N N 100 120.803 120.803 124.899 -4.096 17850 8290 1 10 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.514 0.751 17850 8291 1 10 . 1 1 100 100 LEU C C 100 176.427 176.427 177.369 -0.942 17850 8292 1 10 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.001 -2.225 17850 8293 1 10 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.281 4.920 17850 8294 1 10 . 1 1 100 100 LEU H H 100 7.987 7.987 8.456 -0.469 17850 8295 1 10 . 1 1 101 101 ILE N N 101 125.286 125.286 128.407 -3.121 17850 8296 1 10 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.608 0.114 17850 8297 1 10 . 1 1 101 101 ILE C C 101 175.432 175.432 177.176 -1.744 17850 8298 1 10 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.426 -0.177 17850 8299 1 10 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.574 -0.510 17850 8300 1 10 . 1 1 101 101 ILE H H 101 9.698 9.698 9.186 0.512 17850 8301 1 10 . 1 1 102 102 SER N N 102 123.133 123.133 117.603 5.530 17850 8302 1 10 . 1 1 102 102 SER HA H 102 4.969 4.969 4.093 0.876 17850 8303 1 10 . 1 1 102 102 SER C C 102 175.298 175.298 175.886 -0.588 17850 8304 1 10 . 1 1 102 102 SER CA C 102 55.994 55.994 61.776 -5.782 17850 8305 1 10 . 1 1 102 102 SER CB C 102 66.456 66.456 62.307 4.149 17850 8306 1 10 . 1 1 102 102 SER H H 102 9.095 9.095 8.474 0.621 17850 8307 1 10 . 1 1 103 103 ALA N N 103 122.886 122.886 122.121 0.765 17850 8308 1 10 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.801 0.088 17850 8309 1 10 . 1 1 103 103 ALA C C 103 179.237 179.237 179.642 -0.405 17850 8310 1 10 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.388 0.694 17850 8311 1 10 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.817 0.240 17850 8312 1 10 . 1 1 103 103 ALA H H 103 8.691 8.691 8.609 0.082 17850 8313 1 10 . 1 1 104 104 ALA N N 104 118.317 118.317 119.665 -1.348 17850 8314 1 10 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.698 0.376 17850 8315 1 10 . 1 1 104 104 ALA C C 104 181.451 181.451 178.954 2.497 17850 8316 1 10 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.512 0.773 17850 8317 1 10 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.455 -0.020 17850 8318 1 10 . 1 1 104 104 ALA H H 104 8.392 8.392 8.222 0.170 17850 8319 1 10 . 1 1 105 105 GLU N N 105 120.398 120.398 118.241 2.157 17850 8320 1 10 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.792 -0.732 17850 8321 1 10 . 1 1 105 105 GLU C C 105 179.223 179.223 177.324 1.899 17850 8322 1 10 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.400 0.063 17850 8323 1 10 . 1 1 105 105 GLU CB C 105 29.151 29.151 29.888 -0.737 17850 8324 1 10 . 1 1 105 105 GLU H H 105 7.879 7.879 8.223 -0.344 17850 8325 1 10 . 1 1 106 106 LEU N N 106 120.023 120.023 120.182 -0.159 17850 8326 1 10 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.888 0.275 17850 8327 1 10 . 1 1 106 106 LEU C C 106 178.503 178.503 178.867 -0.364 17850 8328 1 10 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.592 0.097 17850 8329 1 10 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.852 1.435 17850 8330 1 10 . 1 1 106 106 LEU H H 106 8.479 8.479 8.748 -0.269 17850 8331 1 10 . 1 1 107 107 LYS N N 107 117.064 117.064 120.296 -3.232 17850 8332 1 10 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.949 -0.131 17850 8333 1 10 . 1 1 107 107 LYS C C 107 179.039 179.039 177.949 1.090 17850 8334 1 10 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.197 1.111 17850 8335 1 10 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.100 0.790 17850 8336 1 10 . 1 1 107 107 LYS H H 107 8.758 8.758 8.354 0.404 17850 8337 1 10 . 1 1 108 108 HIS N N 108 119.125 119.125 117.281 1.844 17850 8338 1 10 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.635 0.681 17850 8339 1 10 . 1 1 108 108 HIS C C 108 178.394 178.394 177.238 1.156 17850 8340 1 10 . 1 1 108 108 HIS CA C 108 60.187 60.187 58.583 1.604 17850 8341 1 10 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.150 1.342 17850 8342 1 10 . 1 1 108 108 HIS H H 108 8.287 8.287 7.669 0.618 17850 8343 1 10 . 1 1 109 109 VAL N N 109 119.525 119.525 119.912 -0.387 17850 8344 1 10 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.794 -0.309 17850 8345 1 10 . 1 1 109 109 VAL C C 109 178.246 178.246 178.102 0.144 17850 8346 1 10 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.369 1.341 17850 8347 1 10 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.834 0.738 17850 8348 1 10 . 1 1 109 109 VAL H H 109 7.915 7.915 8.505 -0.590 17850 8349 1 10 . 1 1 110 110 LEU N N 110 117.403 117.403 118.660 -1.257 17850 8350 1 10 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.135 -0.156 17850 8351 1 10 . 1 1 110 110 LEU C C 110 178.968 178.968 177.783 1.185 17850 8352 1 10 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.147 0.071 17850 8353 1 10 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.743 -1.215 17850 8354 1 10 . 1 1 110 110 LEU H H 110 8.269 8.269 8.376 -0.107 17850 8355 1 10 . 1 1 111 111 THR N N 111 114.122 114.122 115.806 -1.684 17850 8356 1 10 . 1 1 111 111 THR HA H 111 4.184 4.184 4.126 0.058 17850 8357 1 10 . 1 1 111 111 THR C C 111 178.534 178.534 175.371 3.163 17850 8358 1 10 . 1 1 111 111 THR CA C 111 66.252 66.252 64.177 2.075 17850 8359 1 10 . 1 1 111 111 THR CB C 111 68.851 68.851 68.765 0.086 17850 8360 1 10 . 1 1 111 111 THR H H 111 8.441 8.441 7.772 0.669 17850 8361 1 10 . 1 1 112 112 SER N N 112 119.981 119.981 107.722 12.259 17850 8362 1 10 . 1 1 112 112 SER HA H 112 4.215 4.215 4.515 -0.300 17850 8363 1 10 . 1 1 112 112 SER C C 112 175.523 175.523 174.746 0.777 17850 8364 1 10 . 1 1 112 112 SER CA C 112 62.197 62.197 58.792 3.405 17850 8365 1 10 . 1 1 112 112 SER CB C 112 62.936 62.936 64.043 -1.107 17850 8366 1 10 . 1 1 112 112 SER H H 112 7.910 7.910 7.257 0.653 17850 8367 1 10 . 1 1 113 113 ILE N N 113 112.726 112.726 118.634 -5.908 17850 8368 1 10 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.805 0.679 17850 8369 1 10 . 1 1 113 113 ILE C C 113 175.636 175.636 174.405 1.231 17850 8370 1 10 . 1 1 113 113 ILE CA C 113 60.755 60.755 60.759 -0.004 17850 8371 1 10 . 1 1 113 113 ILE H H 113 7.473 7.473 7.404 0.069 17850 8372 1 10 . 1 1 114 114 GLY N N 114 108.354 108.354 109.142 -0.788 17850 8373 1 10 . 1 1 114 114 GLY C C 114 174.583 174.583 173.394 1.189 17850 8374 1 10 . 1 1 114 114 GLY CA C 114 45.850 45.850 43.194 2.656 17850 8375 1 10 . 1 1 114 114 GLY H H 114 7.652 7.652 7.934 -0.282 17850 8376 1 10 . 1 1 115 115 GLU N N 115 120.283 120.283 125.394 -5.111 17850 8377 1 10 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.621 -0.316 17850 8378 1 10 . 1 1 115 115 GLU C C 115 175.444 175.444 175.798 -0.354 17850 8379 1 10 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.072 0.060 17850 8380 1 10 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.385 -0.135 17850 8381 1 10 . 1 1 115 115 GLU H H 115 8.045 8.045 8.506 -0.461 17850 8382 1 10 . 1 1 116 116 LYS N N 116 124.370 124.370 125.832 -1.462 17850 8383 1 10 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.486 -0.064 17850 8384 1 10 . 1 1 116 116 LYS C C 116 175.287 175.287 176.736 -1.449 17850 8385 1 10 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.481 0.154 17850 8386 1 10 . 1 1 116 116 LYS CB C 116 32.142 32.142 33.668 -1.526 17850 8387 1 10 . 1 1 116 116 LYS H H 116 8.571 8.571 8.584 -0.013 17850 8388 1 10 . 1 1 117 117 LEU N N 117 125.492 125.492 120.585 4.907 17850 8389 1 10 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.190 0.594 17850 8390 1 10 . 1 1 117 117 LEU C C 117 177.161 177.161 177.782 -0.621 17850 8391 1 10 . 1 1 117 117 LEU CA C 117 54.233 54.233 54.252 -0.019 17850 8392 1 10 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.140 1.858 17850 8393 1 10 . 1 1 117 117 LEU H H 117 8.042 8.042 8.285 -0.243 17850 8394 1 10 . 1 1 118 118 THR N N 118 113.255 113.255 119.401 -6.146 17850 8395 1 10 . 1 1 118 118 THR HA H 118 4.497 4.497 3.927 0.570 17850 8396 1 10 . 1 1 118 118 THR C C 118 175.335 175.335 176.604 -1.269 17850 8397 1 10 . 1 1 118 118 THR CA C 118 60.434 60.434 66.455 -6.021 17850 8398 1 10 . 1 1 118 118 THR CB C 118 71.193 71.193 68.438 2.755 17850 8399 1 10 . 1 1 118 118 THR H H 118 8.995 8.995 8.786 0.209 17850 8400 1 10 . 1 1 119 119 ASP N N 119 120.837 120.837 119.871 0.966 17850 8401 1 10 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.532 -0.300 17850 8402 1 10 . 1 1 119 119 ASP C C 119 178.422 178.422 178.531 -0.109 17850 8403 1 10 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.808 1.289 17850 8404 1 10 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.251 -0.276 17850 8405 1 10 . 1 1 119 119 ASP H H 119 8.743 8.743 8.370 0.373 17850 8406 1 10 . 1 1 120 120 ALA N N 120 121.309 121.309 122.105 -0.796 17850 8407 1 10 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.017 0.149 17850 8408 1 10 . 1 1 120 120 ALA C C 120 179.796 179.796 180.364 -0.568 17850 8409 1 10 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.985 0.043 17850 8410 1 10 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.679 -0.359 17850 8411 1 10 . 1 1 120 120 ALA H H 120 8.304 8.304 7.916 0.388 17850 8412 1 10 . 1 1 121 121 GLU N N 121 118.068 118.068 120.483 -2.415 17850 8413 1 10 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.086 -0.029 17850 8414 1 10 . 1 1 121 121 GLU C C 121 180.035 180.035 177.218 2.817 17850 8415 1 10 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.248 -1.010 17850 8416 1 10 . 1 1 121 121 GLU CB C 121 30.429 30.429 30.092 0.337 17850 8417 1 10 . 1 1 121 121 GLU H H 121 7.705 7.705 8.726 -1.021 17850 8418 1 10 . 1 1 122 122 VAL N N 122 120.636 120.636 118.017 2.619 17850 8419 1 10 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.820 -0.283 17850 8420 1 10 . 1 1 122 122 VAL C C 122 177.120 177.120 177.589 -0.469 17850 8421 1 10 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.674 1.368 17850 8422 1 10 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.893 -0.501 17850 8423 1 10 . 1 1 122 122 VAL H H 122 7.935 7.935 8.273 -0.338 17850 8424 1 10 . 1 1 123 123 ASP N N 123 120.336 120.336 119.089 1.247 17850 8425 1 10 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.546 -0.243 17850 8426 1 10 . 1 1 123 123 ASP C C 123 179.023 179.023 177.967 1.056 17850 8427 1 10 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.147 1.796 17850 8428 1 10 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.245 -0.574 17850 8429 1 10 . 1 1 123 123 ASP H H 123 8.204 8.204 8.283 -0.079 17850 8430 1 10 . 1 1 124 124 ASP N N 124 118.890 118.890 120.440 -1.550 17850 8431 1 10 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.314 0.026 17850 8432 1 10 . 1 1 124 124 ASP C C 124 178.527 178.527 177.741 0.786 17850 8433 1 10 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.356 0.167 17850 8434 1 10 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.851 -0.031 17850 8435 1 10 . 1 1 124 124 ASP H H 124 8.272 8.272 7.676 0.596 17850 8436 1 10 . 1 1 125 125 MET N N 125 119.365 119.365 116.403 2.962 17850 8437 1 10 . 1 1 125 125 MET HA H 125 4.091 4.091 4.134 -0.043 17850 8438 1 10 . 1 1 125 125 MET C C 125 178.021 178.021 178.299 -0.278 17850 8439 1 10 . 1 1 125 125 MET CA C 125 59.205 59.205 57.915 1.290 17850 8440 1 10 . 1 1 125 125 MET CB C 125 33.281 33.281 32.090 1.191 17850 8441 1 10 . 1 1 125 125 MET H H 125 7.750 7.750 8.252 -0.502 17850 8442 1 10 . 1 1 126 126 LEU N N 126 117.193 117.193 118.915 -1.722 17850 8443 1 10 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.974 -0.050 17850 8444 1 10 . 1 1 126 126 LEU C C 126 180.267 180.267 179.372 0.895 17850 8445 1 10 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.758 0.044 17850 8446 1 10 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.452 0.162 17850 8447 1 10 . 1 1 126 126 LEU H H 126 8.152 8.152 7.523 0.629 17850 8448 1 10 . 1 1 127 127 ARG N N 127 120.792 120.792 117.504 3.288 17850 8449 1 10 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.086 -0.045 17850 8450 1 10 . 1 1 127 127 ARG C C 127 178.027 178.027 177.890 0.137 17850 8451 1 10 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.627 0.654 17850 8452 1 10 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.261 -0.262 17850 8453 1 10 . 1 1 127 127 ARG H H 127 8.335 8.335 7.670 0.665 17850 8454 1 10 . 1 1 128 128 GLU N N 128 117.142 117.142 110.238 6.904 17850 8455 1 10 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.683 -0.577 17850 8456 1 10 . 1 1 128 128 GLU C C 128 178.618 178.618 176.101 2.517 17850 8457 1 10 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.986 3.219 17850 8458 1 10 . 1 1 128 128 GLU CB C 128 30.394 30.394 31.151 -0.757 17850 8459 1 10 . 1 1 128 128 GLU H H 128 7.667 7.667 8.218 -0.551 17850 8460 1 10 . 1 1 129 129 VAL N N 129 108.345 108.345 118.914 -10.569 17850 8461 1 10 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.160 0.327 17850 8462 1 10 . 1 1 129 129 VAL C C 129 175.591 175.591 176.637 -1.046 17850 8463 1 10 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.212 -0.549 17850 8464 1 10 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.127 -0.118 17850 8465 1 10 . 1 1 129 129 VAL H H 129 7.470 7.470 7.894 -0.424 17850 8466 1 10 . 1 1 130 130 SER N N 130 115.012 115.012 117.953 -2.941 17850 8467 1 10 . 1 1 130 130 SER HA H 130 4.670 4.670 4.112 0.558 17850 8468 1 10 . 1 1 130 130 SER C C 130 174.414 174.414 174.295 0.119 17850 8469 1 10 . 1 1 130 130 SER CA C 130 58.067 58.067 59.599 -1.532 17850 8470 1 10 . 1 1 130 130 SER CB C 130 65.814 65.814 62.050 3.764 17850 8471 1 10 . 1 1 130 130 SER H H 130 7.858 7.858 7.830 0.028 17850 8472 1 10 . 1 1 131 131 ASP N N 131 120.972 120.972 116.520 4.452 17850 8473 1 10 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.265 0.301 17850 8474 1 10 . 1 1 131 131 ASP C C 131 176.676 176.676 175.131 1.545 17850 8475 1 10 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.862 -0.079 17850 8476 1 10 . 1 1 131 131 ASP H H 131 8.478 8.478 8.211 0.267 17850 8477 1 10 . 1 1 132 132 GLY N N 132 105.512 105.512 108.291 -2.779 17850 8478 1 10 . 1 1 132 132 GLY C C 132 174.924 174.924 175.234 -0.310 17850 8479 1 10 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.646 -0.976 17850 8480 1 10 . 1 1 132 132 GLY H H 132 8.352 8.352 8.216 0.136 17850 8481 1 10 . 1 1 133 133 SER N N 133 116.718 116.718 114.384 2.334 17850 8482 1 10 . 1 1 133 133 SER HA H 133 4.435 4.435 4.382 0.053 17850 8483 1 10 . 1 1 133 133 SER C C 133 175.404 175.404 172.347 3.057 17850 8484 1 10 . 1 1 133 133 SER CA C 133 59.340 59.340 58.191 1.149 17850 8485 1 10 . 1 1 133 133 SER H H 133 8.104 8.104 8.578 -0.474 17850 8486 1 10 . 1 1 134 134 GLY N N 134 109.601 109.601 107.724 1.877 17850 8487 1 10 . 1 1 134 134 GLY C C 134 172.547 172.547 172.964 -0.417 17850 8488 1 10 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.117 2.706 17850 8489 1 10 . 1 1 134 134 GLY H H 134 8.555 8.555 7.416 1.139 17850 8490 1 10 . 1 1 135 135 GLU N N 135 117.166 117.166 116.989 0.177 17850 8491 1 10 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.906 0.121 17850 8492 1 10 . 1 1 135 135 GLU C C 135 175.280 175.280 175.488 -0.208 17850 8493 1 10 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.603 0.132 17850 8494 1 10 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.297 1.577 17850 8495 1 10 . 1 1 135 135 GLU H H 135 7.641 7.641 8.204 -0.563 17850 8496 1 10 . 1 1 136 136 ILE N N 136 114.256 114.256 127.368 -13.112 17850 8497 1 10 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.732 0.344 17850 8498 1 10 . 1 1 136 136 ILE C C 136 175.228 175.228 177.430 -2.202 17850 8499 1 10 . 1 1 136 136 ILE CA C 136 59.398 59.398 60.641 -1.242 17850 8500 1 10 . 1 1 136 136 ILE CB C 136 41.652 41.652 38.578 3.074 17850 8501 1 10 . 1 1 136 136 ILE H H 136 8.565 8.565 8.599 -0.034 17850 8502 1 10 . 1 1 137 137 ASN N N 137 121.842 121.842 118.773 3.069 17850 8503 1 10 . 1 1 137 137 ASN HA H 137 5.265 5.265 4.263 1.002 17850 8504 1 10 . 1 1 137 137 ASN C C 137 176.835 176.835 176.555 0.280 17850 8505 1 10 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.723 -3.696 17850 8506 1 10 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.797 1.915 17850 8507 1 10 . 1 1 137 137 ASN H H 137 8.767 8.767 8.904 -0.137 17850 8508 1 10 . 1 1 138 138 ILE N N 138 118.075 118.075 118.856 -0.781 17850 8509 1 10 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.824 -0.072 17850 8510 1 10 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.522 0.250 17850 8511 1 10 . 1 1 138 138 ILE CB C 138 37.553 37.553 37.236 0.318 17850 8512 1 10 . 1 1 138 138 ILE H H 138 8.418 8.418 8.571 -0.153 17850 8513 1 10 . 1 1 139 139 GLN N N 139 122.926 122.926 120.010 2.916 17850 8514 1 10 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.020 0.106 17850 8515 1 10 . 1 1 139 139 GLN C C 139 179.886 179.886 178.569 1.317 17850 8516 1 10 . 1 1 139 139 GLN CA C 139 59.586 59.586 59.035 0.551 17850 8517 1 10 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.418 -0.633 17850 8518 1 10 . 1 1 139 139 GLN H H 139 7.632 7.632 8.048 -0.416 17850 8519 1 10 . 1 1 140 140 GLN N N 140 121.813 121.813 119.883 1.930 17850 8520 1 10 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.846 0.315 17850 8521 1 10 . 1 1 140 140 GLN C C 140 178.284 178.284 177.222 1.062 17850 8522 1 10 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.390 -0.174 17850 8523 1 10 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.460 -0.022 17850 8524 1 10 . 1 1 140 140 GLN H H 140 8.416 8.416 8.819 -0.403 17850 8525 1 10 . 1 1 141 141 PHE N N 141 121.732 121.732 117.080 4.652 17850 8526 1 10 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.901 0.251 17850 8527 1 10 . 1 1 141 141 PHE C C 141 176.273 176.273 176.651 -0.378 17850 8528 1 10 . 1 1 141 141 PHE CA C 141 60.960 60.960 59.914 1.046 17850 8529 1 10 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.123 1.938 17850 8530 1 10 . 1 1 141 141 PHE H H 141 9.030 9.030 7.682 1.348 17850 8531 1 10 . 1 1 142 142 ALA N N 142 119.852 119.852 122.752 -2.900 17850 8532 1 10 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.968 -0.165 17850 8533 1 10 . 1 1 142 142 ALA C C 142 180.733 180.733 180.133 0.600 17850 8534 1 10 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.579 0.631 17850 8535 1 10 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.159 -0.257 17850 8536 1 10 . 1 1 142 142 ALA H H 142 8.399 8.399 7.885 0.514 17850 8537 1 10 . 1 1 143 143 ALA N N 143 120.555 120.555 120.868 -0.313 17850 8538 1 10 . 1 1 143 143 ALA HA H 143 4.114 4.114 4.101 0.013 17850 8539 1 10 . 1 1 143 143 ALA C C 143 180.455 180.455 180.138 0.317 17850 8540 1 10 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.392 -0.378 17850 8541 1 10 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.031 -1.182 17850 8542 1 10 . 1 1 143 143 ALA H H 143 7.627 7.627 7.449 0.178 17850 8543 1 10 . 1 1 144 144 LEU N N 144 121.054 121.054 113.123 7.931 17850 8544 1 10 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.054 -0.121 17850 8545 1 10 . 1 1 144 144 LEU C C 144 177.756 177.756 176.944 0.812 17850 8546 1 10 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.091 1.605 17850 8547 1 10 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.880 -0.042 17850 8548 1 10 . 1 1 144 144 LEU H H 144 8.029 8.029 7.210 0.819 17850 8549 1 10 . 1 1 145 145 LEU N N 145 115.288 115.288 117.927 -2.639 17850 8550 1 10 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.468 -0.495 17850 8551 1 10 . 1 1 145 145 LEU C C 145 177.284 177.284 175.061 2.223 17850 8552 1 10 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.430 0.854 17850 8553 1 10 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.352 -0.742 17850 8554 1 10 . 1 1 145 145 LEU H H 145 7.309 7.309 7.599 -0.290 17850 8555 1 10 . 1 1 146 146 SER N N 146 114.503 114.503 116.507 -2.004 17850 8556 1 10 . 1 1 146 146 SER HA H 146 4.346 4.346 4.586 -0.240 17850 8557 1 10 . 1 1 146 146 SER C C 146 175.125 175.125 171.936 3.189 17850 8558 1 10 . 1 1 146 146 SER CA C 146 59.046 59.046 59.014 0.032 17850 8559 1 10 . 1 1 146 146 SER CB C 146 64.181 64.181 65.410 -1.229 17850 8560 1 10 . 1 1 146 146 SER H H 146 7.506 7.506 7.654 -0.148 17850 8561 1 10 . 1 1 147 147 LYS N N 147 123.315 123.315 123.798 -0.483 17850 8562 1 10 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.703 -0.536 17850 8563 1 10 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.039 1.643 17850 8564 1 10 . 1 1 147 147 LYS H H 147 8.329 8.329 8.381 -0.052 17850 8565 1 10 . 1 1 148 148 GLY N N 148 108.566 108.566 115.033 -6.467 17850 8566 1 10 . 1 1 148 148 GLY C C 148 174.394 174.394 175.544 -1.150 17850 8567 1 10 . 1 1 148 148 GLY CA C 148 45.528 45.528 48.097 -2.569 17850 8568 1 10 . 1 1 148 148 GLY H H 148 8.353 8.353 8.731 -0.378 17850 8569 1 10 . 1 1 149 149 SER N N 149 115.356 115.356 115.623 -0.267 17850 8570 1 10 . 1 1 149 149 SER HA H 149 4.484 4.484 4.658 -0.174 17850 8571 1 10 . 1 1 149 149 SER C C 149 175.038 175.038 173.792 1.246 17850 8572 1 10 . 1 1 149 149 SER CA C 149 58.418 58.418 57.647 0.771 17850 8573 1 10 . 1 1 149 149 SER CB C 149 64.171 64.171 63.090 1.081 17850 8574 1 10 . 1 1 149 149 SER H H 149 7.993 7.993 8.327 -0.334 17850 8575 1 10 . 1 1 150 150 SER N N 150 118.028 118.028 114.013 4.015 17850 8576 1 10 . 1 1 150 150 SER HA H 150 4.490 4.490 4.729 -0.239 17850 8577 1 10 . 1 1 150 150 SER C C 150 175.034 175.034 173.965 1.069 17850 8578 1 10 . 1 1 150 150 SER CA C 150 59.029 59.029 56.439 2.590 17850 8579 1 10 . 1 1 150 150 SER CB C 150 63.407 63.407 65.113 -1.706 17850 8580 1 10 . 1 1 150 150 SER H H 150 8.530 8.530 7.408 1.122 17850 8581 1 11 . 1 1 1 1 GLY N N 1 109.911 109.911 110.669 -0.758 17850 8582 1 11 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.707 0.729 17850 8583 1 11 . 1 1 1 1 GLY H H 1 8.410 8.410 8.462 -0.052 17850 8584 1 11 . 1 1 2 2 SER N N 2 115.579 115.579 117.466 -1.887 17850 8585 1 11 . 1 1 2 2 SER HA H 2 4.474 4.474 4.848 -0.374 17850 8586 1 11 . 1 1 2 2 SER C C 2 174.661 174.661 173.253 1.408 17850 8587 1 11 . 1 1 2 2 SER CA C 2 58.374 58.374 57.209 1.165 17850 8588 1 11 . 1 1 2 2 SER CB C 2 63.986 63.986 65.421 -1.435 17850 8589 1 11 . 1 1 2 2 SER H H 2 8.207 8.207 8.326 -0.119 17850 8590 1 11 . 1 1 3 3 SER N N 3 117.154 117.154 115.857 1.297 17850 8591 1 11 . 1 1 3 3 SER HA H 3 4.439 4.439 4.597 -0.158 17850 8592 1 11 . 1 1 3 3 SER C C 3 174.122 174.122 172.913 1.209 17850 8593 1 11 . 1 1 3 3 SER CA C 3 58.695 58.695 58.082 0.613 17850 8594 1 11 . 1 1 3 3 SER CB C 3 63.865 63.865 63.686 0.179 17850 8595 1 11 . 1 1 3 3 SER H H 3 8.337 8.337 8.550 -0.213 17850 8596 1 11 . 1 1 4 4 ASN N N 4 120.145 120.145 118.064 2.081 17850 8597 1 11 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.009 -0.283 17850 8598 1 11 . 1 1 4 4 ASN C C 4 174.741 174.741 175.269 -0.528 17850 8599 1 11 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.498 0.828 17850 8600 1 11 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.368 -0.566 17850 8601 1 11 . 1 1 4 4 ASN H H 4 8.432 8.432 7.729 0.703 17850 8602 1 11 . 1 1 5 5 LEU N N 5 121.341 121.341 118.272 3.069 17850 8603 1 11 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.527 0.152 17850 8604 1 11 . 1 1 5 5 LEU C C 5 177.641 177.641 177.612 0.029 17850 8605 1 11 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.742 1.723 17850 8606 1 11 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.744 -1.031 17850 8607 1 11 . 1 1 5 5 LEU H H 5 7.966 7.966 8.002 -0.036 17850 8608 1 11 . 1 1 6 6 THR N N 6 113.168 113.168 115.262 -2.094 17850 8609 1 11 . 1 1 6 6 THR HA H 6 4.470 4.470 4.026 0.444 17850 8610 1 11 . 1 1 6 6 THR C C 6 175.390 175.390 176.151 -0.761 17850 8611 1 11 . 1 1 6 6 THR CA C 6 60.543 60.543 65.065 -4.522 17850 8612 1 11 . 1 1 6 6 THR CB C 6 71.190 71.190 68.323 2.867 17850 8613 1 11 . 1 1 6 6 THR H H 6 8.716 8.716 8.816 -0.100 17850 8614 1 11 . 1 1 7 7 GLU N N 7 120.480 120.480 118.536 1.944 17850 8615 1 11 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.235 -0.250 17850 8616 1 11 . 1 1 7 7 GLU C C 7 179.475 179.475 177.783 1.692 17850 8617 1 11 . 1 1 7 7 GLU CA C 7 60.073 60.073 57.833 2.240 17850 8618 1 11 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.740 -0.447 17850 8619 1 11 . 1 1 7 7 GLU H H 7 8.997 8.997 7.738 1.259 17850 8620 1 11 . 1 1 8 8 GLU N N 8 119.766 119.766 117.608 2.158 17850 8621 1 11 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.250 -0.163 17850 8622 1 11 . 1 1 8 8 GLU C C 8 178.641 178.641 179.344 -0.703 17850 8623 1 11 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.525 1.310 17850 8624 1 11 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.375 -0.977 17850 8625 1 11 . 1 1 8 8 GLU H H 8 8.603 8.603 8.146 0.457 17850 8626 1 11 . 1 1 9 9 GLN N N 9 119.234 119.234 118.893 0.341 17850 8627 1 11 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.314 -0.385 17850 8628 1 11 . 1 1 9 9 GLN C C 9 178.969 178.969 177.758 1.211 17850 8629 1 11 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.812 1.906 17850 8630 1 11 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.489 3.093 17850 8631 1 11 . 1 1 9 9 GLN H H 9 7.730 7.730 8.483 -0.753 17850 8632 1 11 . 1 1 10 10 ILE N N 10 119.661 119.661 118.060 1.601 17850 8633 1 11 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.089 -0.326 17850 8634 1 11 . 1 1 10 10 ILE C C 10 178.040 178.040 177.690 0.350 17850 8635 1 11 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.681 2.540 17850 8636 1 11 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.407 0.545 17850 8637 1 11 . 1 1 10 10 ILE H H 10 8.398 8.398 7.961 0.437 17850 8638 1 11 . 1 1 11 11 ALA N N 11 121.678 121.678 122.871 -1.193 17850 8639 1 11 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.152 -0.019 17850 8640 1 11 . 1 1 11 11 ALA C C 11 181.140 181.140 179.907 1.233 17850 8641 1 11 . 1 1 11 11 ALA CA C 11 55.454 55.454 53.905 1.549 17850 8642 1 11 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.799 -0.887 17850 8643 1 11 . 1 1 11 11 ALA H H 11 8.037 8.037 7.943 0.094 17850 8644 1 11 . 1 1 12 12 GLU N N 12 118.175 118.175 119.057 -0.882 17850 8645 1 11 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.194 -0.076 17850 8646 1 11 . 1 1 12 12 GLU C C 12 180.185 180.185 179.028 1.157 17850 8647 1 11 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.745 -0.550 17850 8648 1 11 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.917 0.462 17850 8649 1 11 . 1 1 12 12 GLU H H 12 7.869 7.869 7.826 0.043 17850 8650 1 11 . 1 1 13 13 PHE N N 13 119.011 119.011 119.098 -0.087 17850 8651 1 11 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.073 0.817 17850 8652 1 11 . 1 1 13 13 PHE C C 13 178.486 178.486 178.137 0.349 17850 8653 1 11 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.576 -1.127 17850 8654 1 11 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.318 0.581 17850 8655 1 11 . 1 1 13 13 PHE H H 13 8.429 8.429 7.856 0.573 17850 8656 1 11 . 1 1 14 14 LYS N N 14 123.459 123.459 118.271 5.188 17850 8657 1 11 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.069 -0.037 17850 8658 1 11 . 1 1 14 14 LYS C C 14 179.131 179.131 178.895 0.236 17850 8659 1 11 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.120 1.370 17850 8660 1 11 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.136 -0.223 17850 8661 1 11 . 1 1 14 14 LYS H H 14 8.925 8.925 8.428 0.497 17850 8662 1 11 . 1 1 15 15 GLU N N 15 119.581 119.581 117.102 2.479 17850 8663 1 11 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.378 -0.210 17850 8664 1 11 . 1 1 15 15 GLU C C 15 179.163 179.163 177.346 1.817 17850 8665 1 11 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.474 0.911 17850 8666 1 11 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.465 -0.078 17850 8667 1 11 . 1 1 15 15 GLU H H 15 8.064 8.064 7.865 0.199 17850 8668 1 11 . 1 1 16 16 ALA N N 16 120.993 120.993 122.886 -1.893 17850 8669 1 11 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.324 0.918 17850 8670 1 11 . 1 1 16 16 ALA C C 16 177.628 177.628 178.488 -0.860 17850 8671 1 11 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.959 2.226 17850 8672 1 11 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.450 -1.526 17850 8673 1 11 . 1 1 16 16 ALA H H 16 7.801 7.801 7.670 0.131 17850 8674 1 11 . 1 1 17 17 PHE N N 17 118.745 118.745 119.627 -0.882 17850 8675 1 11 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.271 -0.917 17850 8676 1 11 . 1 1 17 17 PHE C C 17 177.500 177.500 177.060 0.440 17850 8677 1 11 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.423 1.277 17850 8678 1 11 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.051 1.927 17850 8679 1 11 . 1 1 17 17 PHE H H 17 8.469 8.469 8.083 0.386 17850 8680 1 11 . 1 1 18 18 ALA N N 18 119.942 119.942 117.999 1.943 17850 8681 1 11 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.673 0.337 17850 8682 1 11 . 1 1 18 18 ALA C C 18 178.535 178.535 178.716 -0.181 17850 8683 1 11 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.207 0.209 17850 8684 1 11 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.355 0.132 17850 8685 1 11 . 1 1 18 18 ALA H H 18 8.187 8.187 7.322 0.865 17850 8686 1 11 . 1 1 19 19 LEU N N 19 116.851 116.851 113.007 3.844 17850 8687 1 11 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.264 -0.304 17850 8688 1 11 . 1 1 19 19 LEU C C 19 176.795 176.795 177.267 -0.472 17850 8689 1 11 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.833 2.602 17850 8690 1 11 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.322 -1.639 17850 8691 1 11 . 1 1 19 19 LEU H H 19 7.254 7.254 7.362 -0.108 17850 8692 1 11 . 1 1 20 20 PHE N N 20 111.977 111.977 120.967 -8.990 17850 8693 1 11 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.234 0.025 17850 8694 1 11 . 1 1 20 20 PHE C C 20 177.033 177.033 176.469 0.564 17850 8695 1 11 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.316 -0.660 17850 8696 1 11 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.876 4.288 17850 8697 1 11 . 1 1 20 20 PHE H H 20 7.041 7.041 7.983 -0.942 17850 8698 1 11 . 1 1 21 21 ASP N N 21 116.981 116.981 124.057 -7.076 17850 8699 1 11 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.345 0.240 17850 8700 1 11 . 1 1 21 21 ASP C C 21 177.297 177.297 177.559 -0.262 17850 8701 1 11 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.509 -3.838 17850 8702 1 11 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.656 -1.654 17850 8703 1 11 . 1 1 21 21 ASP H H 21 7.567 7.567 8.426 -0.859 17850 8704 1 11 . 1 1 22 22 LYS N N 22 124.748 124.748 116.025 8.723 17850 8705 1 11 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.150 -0.158 17850 8706 1 11 . 1 1 22 22 LYS C C 22 177.866 177.866 176.057 1.809 17850 8707 1 11 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.633 1.600 17850 8708 1 11 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.440 0.187 17850 8709 1 11 . 1 1 22 22 LYS H H 22 7.820 7.820 8.177 -0.357 17850 8710 1 11 . 1 1 23 23 ASP N N 23 114.211 114.211 116.025 -1.814 17850 8711 1 11 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.382 0.221 17850 8712 1 11 . 1 1 23 23 ASP C C 23 176.266 176.266 175.644 0.622 17850 8713 1 11 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.795 -2.148 17850 8714 1 11 . 1 1 23 23 ASP CB C 23 39.283 39.283 38.830 0.453 17850 8715 1 11 . 1 1 23 23 ASP H H 23 8.025 8.025 8.164 -0.139 17850 8716 1 11 . 1 1 24 24 ASN N N 24 115.587 115.587 118.121 -2.534 17850 8717 1 11 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.780 -0.391 17850 8718 1 11 . 1 1 24 24 ASN C C 24 174.828 174.828 176.402 -1.574 17850 8719 1 11 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.423 2.084 17850 8720 1 11 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.752 -0.721 17850 8721 1 11 . 1 1 24 24 ASN H H 24 7.962 7.962 8.180 -0.218 17850 8722 1 11 . 1 1 25 25 ASN N N 25 117.385 117.385 119.073 -1.688 17850 8723 1 11 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.494 0.354 17850 8724 1 11 . 1 1 25 25 ASN C C 25 177.553 177.553 174.238 3.315 17850 8725 1 11 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.438 -1.123 17850 8726 1 11 . 1 1 25 25 ASN H H 25 8.489 8.489 8.291 0.198 17850 8727 1 11 . 1 1 26 26 GLY N N 26 113.934 113.934 106.925 7.009 17850 8728 1 11 . 1 1 26 26 GLY C C 26 173.371 173.371 173.532 -0.161 17850 8729 1 11 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.007 0.531 17850 8730 1 11 . 1 1 26 26 GLY H H 26 10.580 10.580 8.372 2.208 17850 8731 1 11 . 1 1 27 27 SER N N 27 113.842 113.842 122.259 -8.417 17850 8732 1 11 . 1 1 27 27 SER HA H 27 5.358 5.358 4.684 0.674 17850 8733 1 11 . 1 1 27 27 SER C C 27 172.645 172.645 174.984 -2.339 17850 8734 1 11 . 1 1 27 27 SER CA C 27 57.474 57.474 57.772 -0.298 17850 8735 1 11 . 1 1 27 27 SER CB C 27 66.576 66.576 63.349 3.227 17850 8736 1 11 . 1 1 27 27 SER H H 27 7.793 7.793 8.968 -1.175 17850 8737 1 11 . 1 1 28 28 ILE N N 28 127.597 127.597 128.244 -0.647 17850 8738 1 11 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.253 0.572 17850 8739 1 11 . 1 1 28 28 ILE C C 28 175.890 175.890 177.357 -1.467 17850 8740 1 11 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.447 -0.271 17850 8741 1 11 . 1 1 28 28 ILE CB C 28 39.094 39.094 40.269 -1.175 17850 8742 1 11 . 1 1 28 28 ILE H H 28 9.787 9.787 8.917 0.870 17850 8743 1 11 . 1 1 29 29 SER N N 29 124.860 124.860 118.085 6.775 17850 8744 1 11 . 1 1 29 29 SER HA H 29 4.813 4.813 4.033 0.780 17850 8745 1 11 . 1 1 29 29 SER C C 29 175.477 175.477 176.709 -1.232 17850 8746 1 11 . 1 1 29 29 SER CA C 29 56.583 56.583 61.948 -5.365 17850 8747 1 11 . 1 1 29 29 SER CB C 29 66.269 66.269 62.501 3.768 17850 8748 1 11 . 1 1 29 29 SER H H 29 9.320 9.320 8.482 0.838 17850 8749 1 11 . 1 1 30 30 SER N N 30 117.383 117.383 115.965 1.418 17850 8750 1 11 . 1 1 30 30 SER HA H 30 4.141 4.141 4.284 -0.143 17850 8751 1 11 . 1 1 30 30 SER C C 30 176.531 176.531 175.474 1.057 17850 8752 1 11 . 1 1 30 30 SER CA C 30 62.690 62.690 60.910 1.780 17850 8753 1 11 . 1 1 30 30 SER CB C 30 62.264 62.264 62.914 -0.650 17850 8754 1 11 . 1 1 30 30 SER H H 30 9.554 9.554 7.997 1.557 17850 8755 1 11 . 1 1 31 31 SER N N 31 116.232 116.232 115.860 0.372 17850 8756 1 11 . 1 1 31 31 SER HA H 31 4.309 4.309 4.303 0.006 17850 8757 1 11 . 1 1 31 31 SER C C 31 178.017 178.017 177.638 0.379 17850 8758 1 11 . 1 1 31 31 SER CA C 31 61.332 61.332 60.017 1.315 17850 8759 1 11 . 1 1 31 31 SER CB C 31 62.512 62.512 63.600 -1.088 17850 8760 1 11 . 1 1 31 31 SER H H 31 8.141 8.141 7.843 0.298 17850 8761 1 11 . 1 1 32 32 GLU N N 32 125.663 125.663 121.547 4.116 17850 8762 1 11 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.907 0.146 17850 8763 1 11 . 1 1 32 32 GLU C C 32 179.222 179.222 177.349 1.873 17850 8764 1 11 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.809 -0.110 17850 8765 1 11 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.601 -0.349 17850 8766 1 11 . 1 1 32 32 GLU H H 32 7.947 7.947 8.670 -0.723 17850 8767 1 11 . 1 1 33 33 LEU N N 33 120.624 120.624 116.735 3.889 17850 8768 1 11 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.113 0.055 17850 8769 1 11 . 1 1 33 33 LEU C C 33 178.493 178.493 178.463 0.030 17850 8770 1 11 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.372 1.535 17850 8771 1 11 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.088 1.229 17850 8772 1 11 . 1 1 33 33 LEU H H 33 8.424 8.424 8.606 -0.182 17850 8773 1 11 . 1 1 34 34 ALA N N 34 119.635 119.635 121.954 -2.319 17850 8774 1 11 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.076 -0.252 17850 8775 1 11 . 1 1 34 34 ALA C C 34 179.360 179.360 178.841 0.519 17850 8776 1 11 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.669 -0.073 17850 8777 1 11 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.926 -0.249 17850 8778 1 11 . 1 1 34 34 ALA H H 34 8.410 8.410 7.839 0.571 17850 8779 1 11 . 1 1 35 35 THR N N 35 114.602 114.602 116.200 -1.598 17850 8780 1 11 . 1 1 35 35 THR HA H 35 3.886 3.886 4.011 -0.125 17850 8781 1 11 . 1 1 35 35 THR C C 35 177.278 177.278 176.014 1.264 17850 8782 1 11 . 1 1 35 35 THR CA C 35 67.317 67.317 65.423 1.894 17850 8783 1 11 . 1 1 35 35 THR CB C 35 68.774 68.774 69.388 -0.614 17850 8784 1 11 . 1 1 35 35 THR H H 35 8.263 8.263 7.674 0.589 17850 8785 1 11 . 1 1 36 36 VAL N N 36 122.295 122.295 118.215 4.080 17850 8786 1 11 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.608 -0.003 17850 8787 1 11 . 1 1 36 36 VAL C C 36 178.653 178.653 178.223 0.430 17850 8788 1 11 . 1 1 36 36 VAL CA C 36 66.738 66.738 65.979 0.759 17850 8789 1 11 . 1 1 36 36 VAL CB C 36 31.303 31.303 30.489 0.814 17850 8790 1 11 . 1 1 36 36 VAL H H 36 7.790 7.790 7.855 -0.065 17850 8791 1 11 . 1 1 37 37 MET N N 37 117.677 117.677 117.270 0.407 17850 8792 1 11 . 1 1 37 37 MET HA H 37 3.642 3.642 4.412 -0.770 17850 8793 1 11 . 1 1 37 37 MET C C 37 178.172 178.172 179.298 -1.126 17850 8794 1 11 . 1 1 37 37 MET CA C 37 60.506 60.506 58.171 2.335 17850 8795 1 11 . 1 1 37 37 MET CB C 37 32.347 32.347 31.639 0.709 17850 8796 1 11 . 1 1 37 37 MET H H 37 8.081 8.081 7.825 0.256 17850 8797 1 11 . 1 1 38 38 ARG N N 38 118.309 118.309 121.087 -2.778 17850 8798 1 11 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.039 0.649 17850 8799 1 11 . 1 1 38 38 ARG C C 38 181.486 181.486 177.146 4.340 17850 8800 1 11 . 1 1 38 38 ARG CA C 38 59.101 59.101 59.058 0.043 17850 8801 1 11 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.527 0.485 17850 8802 1 11 . 1 1 38 38 ARG H H 38 8.547 8.547 7.517 1.030 17850 8803 1 11 . 1 1 39 39 SER N N 39 119.250 119.250 110.076 9.174 17850 8804 1 11 . 1 1 39 39 SER HA H 39 4.301 4.301 4.290 0.011 17850 8805 1 11 . 1 1 39 39 SER C C 39 174.899 174.899 175.010 -0.111 17850 8806 1 11 . 1 1 39 39 SER CA C 39 61.925 61.925 59.049 2.876 17850 8807 1 11 . 1 1 39 39 SER CB C 39 62.773 62.773 63.593 -0.820 17850 8808 1 11 . 1 1 39 39 SER H H 39 8.226 8.226 7.869 0.357 17850 8809 1 11 . 1 1 40 40 LEU N N 40 119.516 119.516 117.432 2.084 17850 8810 1 11 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.047 0.223 17850 8811 1 11 . 1 1 40 40 LEU C C 40 176.681 176.681 176.521 0.160 17850 8812 1 11 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.362 0.221 17850 8813 1 11 . 1 1 40 40 LEU H H 40 7.343 7.343 7.754 -0.411 17850 8814 1 11 . 1 1 41 41 GLY N N 41 105.983 105.983 108.488 -2.505 17850 8815 1 11 . 1 1 41 41 GLY C C 41 174.471 174.471 175.225 -0.754 17850 8816 1 11 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.601 0.638 17850 8817 1 11 . 1 1 41 41 GLY H H 41 7.858 7.858 8.289 -0.431 17850 8818 1 11 . 1 1 42 42 LEU N N 42 120.442 120.442 119.285 1.157 17850 8819 1 11 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.511 -0.040 17850 8820 1 11 . 1 1 42 42 LEU C C 42 175.965 175.965 174.560 1.405 17850 8821 1 11 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.796 1.449 17850 8822 1 11 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.025 0.506 17850 8823 1 11 . 1 1 42 42 LEU H H 42 7.707 7.707 8.222 -0.515 17850 8824 1 11 . 1 1 43 43 SER HA H 43 4.798 4.798 4.639 0.159 17850 8825 1 11 . 1 1 43 43 SER CA C 43 54.912 54.912 57.344 -2.432 17850 8826 1 11 . 1 1 43 43 SER CB C 43 63.197 63.197 63.510 -0.313 17850 8827 1 11 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.553 0.239 17850 8828 1 11 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.605 -0.724 17850 8829 1 11 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.802 -1.602 17850 8830 1 11 . 1 1 45 45 SER N N 45 119.898 119.898 122.726 -2.828 17850 8831 1 11 . 1 1 45 45 SER HA H 45 4.611 4.611 4.044 0.567 17850 8832 1 11 . 1 1 45 45 SER C C 45 174.913 174.913 176.122 -1.209 17850 8833 1 11 . 1 1 45 45 SER CA C 45 56.689 56.689 61.682 -4.993 17850 8834 1 11 . 1 1 45 45 SER CB C 45 65.502 65.502 63.375 2.127 17850 8835 1 11 . 1 1 45 45 SER H H 45 9.387 9.387 9.071 0.316 17850 8836 1 11 . 1 1 46 46 GLU N N 46 121.468 121.468 118.219 3.249 17850 8837 1 11 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.194 -0.255 17850 8838 1 11 . 1 1 46 46 GLU C C 46 179.002 179.002 178.752 0.250 17850 8839 1 11 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.222 0.913 17850 8840 1 11 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.836 0.511 17850 8841 1 11 . 1 1 46 46 GLU H H 46 8.913 8.913 8.522 0.391 17850 8842 1 11 . 1 1 47 47 ALA N N 47 121.115 121.115 121.898 -0.783 17850 8843 1 11 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.138 0.014 17850 8844 1 11 . 1 1 47 47 ALA C C 47 179.962 179.962 180.101 -0.139 17850 8845 1 11 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.550 0.568 17850 8846 1 11 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.076 -0.721 17850 8847 1 11 . 1 1 47 47 ALA H H 47 8.324 8.324 7.716 0.608 17850 8848 1 11 . 1 1 48 48 GLU N N 48 118.713 118.713 119.752 -1.039 17850 8849 1 11 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.826 0.278 17850 8850 1 11 . 1 1 48 48 GLU C C 48 179.558 179.558 178.231 1.327 17850 8851 1 11 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.007 -1.789 17850 8852 1 11 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.935 0.969 17850 8853 1 11 . 1 1 48 48 GLU H H 48 7.756 7.756 8.989 -1.233 17850 8854 1 11 . 1 1 49 49 VAL N N 49 119.108 119.108 119.765 -0.657 17850 8855 1 11 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.935 -0.471 17850 8856 1 11 . 1 1 49 49 VAL C C 49 177.505 177.505 177.899 -0.394 17850 8857 1 11 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.300 2.171 17850 8858 1 11 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.235 0.206 17850 8859 1 11 . 1 1 49 49 VAL H H 49 8.129 8.129 7.462 0.667 17850 8860 1 11 . 1 1 50 50 ASN N N 50 117.942 117.942 119.262 -1.320 17850 8861 1 11 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.495 -0.107 17850 8862 1 11 . 1 1 50 50 ASN C C 50 177.275 177.275 177.840 -0.565 17850 8863 1 11 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.702 1.079 17850 8864 1 11 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.503 -0.106 17850 8865 1 11 . 1 1 50 50 ASN H H 50 8.071 8.071 7.705 0.366 17850 8866 1 11 . 1 1 51 51 ASP N N 51 120.669 120.669 119.077 1.592 17850 8867 1 11 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.521 -0.030 17850 8868 1 11 . 1 1 51 51 ASP C C 51 179.203 179.203 178.178 1.025 17850 8869 1 11 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.839 0.756 17850 8870 1 11 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.057 -0.743 17850 8871 1 11 . 1 1 51 51 ASP H H 51 8.364 8.364 8.368 -0.004 17850 8872 1 11 . 1 1 52 52 LEU N N 52 122.409 122.409 118.808 3.601 17850 8873 1 11 . 1 1 52 52 LEU HA H 52 4.070 4.070 3.971 0.099 17850 8874 1 11 . 1 1 52 52 LEU C C 52 179.017 179.017 178.020 0.997 17850 8875 1 11 . 1 1 52 52 LEU CA C 52 58.457 58.457 58.092 0.365 17850 8876 1 11 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.558 0.523 17850 8877 1 11 . 1 1 52 52 LEU H H 52 8.018 8.018 8.542 -0.524 17850 8878 1 11 . 1 1 53 53 MET N N 53 117.391 117.391 118.193 -0.802 17850 8879 1 11 . 1 1 53 53 MET HA H 53 4.112 4.112 4.463 -0.351 17850 8880 1 11 . 1 1 53 53 MET CA C 53 57.472 57.472 57.483 -0.011 17850 8881 1 11 . 1 1 53 53 MET CB C 53 30.021 30.021 33.195 -3.174 17850 8882 1 11 . 1 1 53 53 MET H H 53 8.562 8.562 8.462 0.100 17850 8883 1 11 . 1 1 54 54 ASN N N 54 115.554 115.554 116.277 -0.723 17850 8884 1 11 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.634 -0.076 17850 8885 1 11 . 1 1 54 54 ASN C C 54 176.801 176.801 175.352 1.449 17850 8886 1 11 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.323 0.974 17850 8887 1 11 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.090 -0.933 17850 8888 1 11 . 1 1 54 54 ASN H H 54 8.204 8.204 8.229 -0.025 17850 8889 1 11 . 1 1 55 55 GLU N N 55 117.659 117.659 114.613 3.046 17850 8890 1 11 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.368 -0.166 17850 8891 1 11 . 1 1 55 55 GLU C C 55 177.093 177.093 176.776 0.317 17850 8892 1 11 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.568 2.259 17850 8893 1 11 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.141 -0.121 17850 8894 1 11 . 1 1 55 55 GLU H H 55 7.617 7.617 7.231 0.386 17850 8895 1 11 . 1 1 56 56 ILE N N 56 117.618 117.618 123.104 -5.486 17850 8896 1 11 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.221 -0.337 17850 8897 1 11 . 1 1 56 56 ILE C C 56 176.029 176.029 177.098 -1.069 17850 8898 1 11 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.020 -0.206 17850 8899 1 11 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.383 1.545 17850 8900 1 11 . 1 1 56 56 ILE H H 56 7.472 7.472 7.831 -0.359 17850 8901 1 11 . 1 1 57 57 ASP N N 57 118.636 118.636 126.594 -7.958 17850 8902 1 11 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.553 -0.141 17850 8903 1 11 . 1 1 57 57 ASP C C 57 175.691 175.691 176.508 -0.817 17850 8904 1 11 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.817 -1.284 17850 8905 1 11 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.444 -0.199 17850 8906 1 11 . 1 1 57 57 ASP H H 57 8.304 8.304 8.134 0.170 17850 8907 1 11 . 1 1 58 58 VAL N N 58 126.376 126.376 117.655 8.721 17850 8908 1 11 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.105 -0.111 17850 8909 1 11 . 1 1 58 58 VAL C C 58 177.258 177.258 176.780 0.478 17850 8910 1 11 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.951 2.383 17850 8911 1 11 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.534 1.773 17850 8912 1 11 . 1 1 58 58 VAL H H 58 7.926 7.926 7.655 0.271 17850 8913 1 11 . 1 1 59 59 ASP N N 59 117.093 117.093 119.316 -2.223 17850 8914 1 11 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.285 0.272 17850 8915 1 11 . 1 1 59 59 ASP C C 59 177.759 177.759 176.956 0.803 17850 8916 1 11 . 1 1 59 59 ASP CA C 59 53.876 53.876 55.048 -1.172 17850 8917 1 11 . 1 1 59 59 ASP H H 59 8.363 8.363 8.279 0.084 17850 8918 1 11 . 1 1 60 60 GLY N N 60 108.290 108.290 107.820 0.470 17850 8919 1 11 . 1 1 60 60 GLY C C 60 174.700 174.700 174.666 0.034 17850 8920 1 11 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.942 3.178 17850 8921 1 11 . 1 1 60 60 GLY H H 60 7.636 7.636 8.943 -1.307 17850 8922 1 11 . 1 1 61 61 ASN N N 61 118.884 118.884 116.328 2.556 17850 8923 1 11 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.342 0.187 17850 8924 1 11 . 1 1 61 61 ASN C C 61 175.856 175.856 172.892 2.964 17850 8925 1 11 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.950 -2.590 17850 8926 1 11 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.661 0.516 17850 8927 1 11 . 1 1 61 61 ASN H H 61 8.078 8.078 9.023 -0.945 17850 8928 1 11 . 1 1 62 62 HIS N N 62 117.381 117.381 111.975 5.406 17850 8929 1 11 . 1 1 62 62 HIS HA H 62 3.877 3.877 4.932 -1.055 17850 8930 1 11 . 1 1 62 62 HIS C C 62 172.310 172.310 172.862 -0.552 17850 8931 1 11 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.036 2.337 17850 8932 1 11 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.226 -8.492 17850 8933 1 11 . 1 1 62 62 HIS H H 62 9.958 9.958 8.356 1.602 17850 8934 1 11 . 1 1 63 63 GLN N N 63 112.906 112.906 117.924 -5.018 17850 8935 1 11 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.995 -0.163 17850 8936 1 11 . 1 1 63 63 GLN C C 63 174.861 174.861 175.492 -0.631 17850 8937 1 11 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.235 -0.360 17850 8938 1 11 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.983 1.167 17850 8939 1 11 . 1 1 63 63 GLN H H 63 7.535 7.535 8.608 -1.073 17850 8940 1 11 . 1 1 64 64 ILE N N 64 124.083 124.083 126.976 -2.893 17850 8941 1 11 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.758 0.314 17850 8942 1 11 . 1 1 64 64 ILE C C 64 176.670 176.670 176.431 0.239 17850 8943 1 11 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.744 -0.073 17850 8944 1 11 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.740 -1.573 17850 8945 1 11 . 1 1 64 64 ILE H H 64 9.274 9.274 8.892 0.382 17850 8946 1 11 . 1 1 65 65 GLU N N 65 129.276 129.276 120.917 8.359 17850 8947 1 11 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.785 2.255 17850 8948 1 11 . 1 1 65 65 GLU C C 65 178.156 178.156 176.931 1.225 17850 8949 1 11 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.198 0.650 17850 8950 1 11 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.556 1.624 17850 8951 1 11 . 1 1 65 65 GLU H H 65 8.848 8.848 9.161 -0.313 17850 8952 1 11 . 1 1 66 66 PHE N N 66 124.260 124.260 119.343 4.917 17850 8953 1 11 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.957 -0.267 17850 8954 1 11 . 1 1 66 66 PHE C C 66 177.294 177.294 177.155 0.139 17850 8955 1 11 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.913 1.107 17850 8956 1 11 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.532 -0.578 17850 8957 1 11 . 1 1 66 66 PHE H H 66 9.353 9.353 7.818 1.535 17850 8958 1 11 . 1 1 67 67 SER N N 67 112.827 112.827 117.723 -4.896 17850 8959 1 11 . 1 1 67 67 SER HA H 67 3.726 3.726 4.119 -0.393 17850 8960 1 11 . 1 1 67 67 SER C C 67 177.352 177.352 176.493 0.859 17850 8961 1 11 . 1 1 67 67 SER CA C 67 61.581 61.581 61.178 0.403 17850 8962 1 11 . 1 1 67 67 SER CB C 67 61.379 61.379 62.943 -1.564 17850 8963 1 11 . 1 1 67 67 SER H H 67 9.035 9.035 8.376 0.659 17850 8964 1 11 . 1 1 68 68 GLU N N 68 123.071 123.071 120.041 3.030 17850 8965 1 11 . 1 1 68 68 GLU HA H 68 4.135 4.135 4.053 0.082 17850 8966 1 11 . 1 1 68 68 GLU C C 68 178.895 178.895 177.780 1.115 17850 8967 1 11 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.065 -2.087 17850 8968 1 11 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.235 -0.958 17850 8969 1 11 . 1 1 68 68 GLU H H 68 6.829 6.829 8.670 -1.841 17850 8970 1 11 . 1 1 69 69 PHE N N 69 123.805 123.805 117.524 6.281 17850 8971 1 11 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.134 -0.235 17850 8972 1 11 . 1 1 69 69 PHE C C 69 176.325 176.325 176.801 -0.476 17850 8973 1 11 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.516 0.910 17850 8974 1 11 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.834 2.594 17850 8975 1 11 . 1 1 69 69 PHE H H 69 8.245 8.245 7.429 0.816 17850 8976 1 11 . 1 1 70 70 LEU N N 70 119.210 119.210 119.346 -0.136 17850 8977 1 11 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.010 -0.774 17850 8978 1 11 . 1 1 70 70 LEU C C 70 179.131 179.131 178.166 0.965 17850 8979 1 11 . 1 1 70 70 LEU CA C 70 57.477 57.477 57.075 0.402 17850 8980 1 11 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.177 0.151 17850 8981 1 11 . 1 1 70 70 LEU H H 70 8.788 8.788 7.755 1.033 17850 8982 1 11 . 1 1 71 71 ALA N N 71 121.612 121.612 121.290 0.322 17850 8983 1 11 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.067 -0.158 17850 8984 1 11 . 1 1 71 71 ALA C C 71 179.804 179.804 179.490 0.314 17850 8985 1 11 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.683 0.433 17850 8986 1 11 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.930 -1.168 17850 8987 1 11 . 1 1 71 71 ALA H H 71 7.365 7.365 7.561 -0.196 17850 8988 1 11 . 1 1 72 72 LEU N N 72 118.944 118.944 119.856 -0.912 17850 8989 1 11 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.949 0.015 17850 8990 1 11 . 1 1 72 72 LEU C C 72 178.415 178.415 179.225 -0.810 17850 8991 1 11 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.082 1.735 17850 8992 1 11 . 1 1 72 72 LEU CB C 72 41.468 41.468 40.276 1.192 17850 8993 1 11 . 1 1 72 72 LEU H H 72 7.142 7.142 7.626 -0.484 17850 8994 1 11 . 1 1 73 73 MET N N 73 114.500 114.500 117.213 -2.713 17850 8995 1 11 . 1 1 73 73 MET HA H 73 3.978 3.978 4.253 -0.275 17850 8996 1 11 . 1 1 73 73 MET C C 73 178.283 178.283 175.878 2.405 17850 8997 1 11 . 1 1 73 73 MET CA C 73 55.701 55.701 57.425 -1.724 17850 8998 1 11 . 1 1 73 73 MET CB C 73 30.742 30.742 32.297 -1.555 17850 8999 1 11 . 1 1 73 73 MET H H 73 7.726 7.726 7.668 0.058 17850 9000 1 11 . 1 1 74 74 SER N N 74 112.626 112.626 114.308 -1.682 17850 9001 1 11 . 1 1 74 74 SER HA H 74 4.287 4.287 4.677 -0.390 17850 9002 1 11 . 1 1 74 74 SER C C 74 174.717 174.717 174.239 0.478 17850 9003 1 11 . 1 1 74 74 SER CA C 74 59.582 59.582 57.791 1.791 17850 9004 1 11 . 1 1 74 74 SER CB C 74 63.746 63.746 63.693 0.053 17850 9005 1 11 . 1 1 74 74 SER H H 74 7.857 7.857 7.776 0.081 17850 9006 1 11 . 1 1 75 75 ARG N N 75 122.130 122.130 119.735 2.395 17850 9007 1 11 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.424 -0.277 17850 9008 1 11 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.154 1.621 17850 9009 1 11 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.011 -1.345 17850 9010 1 11 . 1 1 75 75 ARG H H 75 7.208 7.208 7.828 -0.620 17850 9011 1 11 . 1 1 76 76 GLN N N 76 121.749 121.749 115.588 6.161 17850 9012 1 11 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.620 -0.336 17850 9013 1 11 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.301 0.892 17850 9014 1 11 . 1 1 76 76 GLN CB C 76 29.057 29.057 31.217 -2.160 17850 9015 1 11 . 1 1 76 76 GLN H H 76 8.327 8.327 7.490 0.837 17850 9016 1 11 . 1 1 77 77 LEU N N 77 124.093 124.093 120.414 3.679 17850 9017 1 11 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.496 -0.057 17850 9018 1 11 . 1 1 77 77 LEU C C 77 177.670 177.670 177.323 0.347 17850 9019 1 11 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.670 -0.388 17850 9020 1 11 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.671 0.109 17850 9021 1 11 . 1 1 77 77 LEU H H 77 8.264 8.264 8.406 -0.142 17850 9022 1 11 . 1 1 78 78 LYS N N 78 121.053 121.053 120.469 0.584 17850 9023 1 11 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.289 0.118 17850 9024 1 11 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.606 -0.421 17850 9025 1 11 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.489 -0.212 17850 9026 1 11 . 1 1 78 78 LYS H H 78 8.433 8.433 8.437 -0.004 17850 9027 1 11 . 1 1 79 79 SER N N 79 116.423 116.423 117.687 -1.264 17850 9028 1 11 . 1 1 79 79 SER HA H 79 4.321 4.321 4.407 -0.086 17850 9029 1 11 . 1 1 79 79 SER C C 79 175.145 175.145 173.845 1.300 17850 9030 1 11 . 1 1 79 79 SER CA C 79 59.795 59.795 57.734 2.061 17850 9031 1 11 . 1 1 79 79 SER CB C 79 63.226 63.226 62.142 1.084 17850 9032 1 11 . 1 1 79 79 SER H H 79 8.448 8.448 8.531 -0.083 17850 9033 1 11 . 1 1 80 80 ASN N N 80 119.581 119.581 121.459 -1.878 17850 9034 1 11 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.394 0.305 17850 9035 1 11 . 1 1 80 80 ASN C C 80 175.726 175.726 177.050 -1.324 17850 9036 1 11 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.625 -1.212 17850 9037 1 11 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.386 1.202 17850 9038 1 11 . 1 1 80 80 ASN H H 80 8.513 8.513 8.571 -0.058 17850 9039 1 11 . 1 1 81 81 ASP N N 81 120.378 120.378 121.896 -1.518 17850 9040 1 11 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.096 0.534 17850 9041 1 11 . 1 1 81 81 ASP C C 81 177.281 177.281 178.180 -0.899 17850 9042 1 11 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.280 -1.687 17850 9043 1 11 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.429 1.177 17850 9044 1 11 . 1 1 81 81 ASP H H 81 7.957 7.957 8.415 -0.458 17850 9045 1 11 . 1 1 82 82 SER N N 82 117.046 117.046 116.961 0.085 17850 9046 1 11 . 1 1 82 82 SER HA H 82 4.194 4.194 3.879 0.315 17850 9047 1 11 . 1 1 82 82 SER C C 82 176.745 176.745 176.702 0.043 17850 9048 1 11 . 1 1 82 82 SER CA C 82 61.376 61.376 61.408 -0.032 17850 9049 1 11 . 1 1 82 82 SER CB C 82 62.896 62.896 62.891 0.005 17850 9050 1 11 . 1 1 82 82 SER H H 82 8.469 8.469 8.625 -0.156 17850 9051 1 11 . 1 1 83 83 GLU N N 83 122.405 122.405 119.198 3.207 17850 9052 1 11 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.001 0.099 17850 9053 1 11 . 1 1 83 83 GLU C C 83 178.740 178.740 178.845 -0.105 17850 9054 1 11 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.736 -0.271 17850 9055 1 11 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.616 -0.212 17850 9056 1 11 . 1 1 83 83 GLU H H 83 8.357 8.357 8.301 0.056 17850 9057 1 11 . 1 1 84 84 GLN N N 84 118.604 118.604 118.891 -0.287 17850 9058 1 11 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.117 -0.008 17850 9059 1 11 . 1 1 84 84 GLN C C 84 178.533 178.533 178.587 -0.054 17850 9060 1 11 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.309 0.158 17850 9061 1 11 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.091 0.330 17850 9062 1 11 . 1 1 84 84 GLN H H 84 7.988 7.988 7.798 0.190 17850 9063 1 11 . 1 1 85 85 GLU N N 85 119.418 119.418 120.916 -1.498 17850 9064 1 11 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.273 -0.331 17850 9065 1 11 . 1 1 85 85 GLU C C 85 178.250 178.250 178.800 -0.550 17850 9066 1 11 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.118 1.006 17850 9067 1 11 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.095 0.477 17850 9068 1 11 . 1 1 85 85 GLU H H 85 8.228 8.228 8.465 -0.237 17850 9069 1 11 . 1 1 86 86 LEU N N 86 120.010 120.010 118.007 2.003 17850 9070 1 11 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.092 0.067 17850 9071 1 11 . 1 1 86 86 LEU C C 86 178.534 178.534 179.323 -0.789 17850 9072 1 11 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.776 -0.569 17850 9073 1 11 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.068 0.558 17850 9074 1 11 . 1 1 86 86 LEU H H 86 7.797 7.797 8.630 -0.833 17850 9075 1 11 . 1 1 87 87 LEU N N 87 119.111 119.111 120.621 -1.510 17850 9076 1 11 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.088 0.016 17850 9077 1 11 . 1 1 87 87 LEU C C 87 179.333 179.333 179.420 -0.087 17850 9078 1 11 . 1 1 87 87 LEU CA C 87 58.243 58.243 57.985 0.258 17850 9079 1 11 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.708 0.058 17850 9080 1 11 . 1 1 87 87 LEU H H 87 7.825 7.825 8.297 -0.472 17850 9081 1 11 . 1 1 88 88 GLU N N 88 117.514 117.514 118.732 -1.218 17850 9082 1 11 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.417 -0.316 17850 9083 1 11 . 1 1 88 88 GLU C C 88 179.461 179.461 178.928 0.533 17850 9084 1 11 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.133 -0.117 17850 9085 1 11 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.265 -0.595 17850 9086 1 11 . 1 1 88 88 GLU H H 88 8.265 8.265 8.422 -0.157 17850 9087 1 11 . 1 1 89 89 ALA N N 89 120.734 120.734 123.238 -2.504 17850 9088 1 11 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.631 0.536 17850 9089 1 11 . 1 1 89 89 ALA C C 89 178.362 178.362 177.911 0.451 17850 9090 1 11 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.007 1.070 17850 9091 1 11 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.737 -1.754 17850 9092 1 11 . 1 1 89 89 ALA H H 89 8.192 8.192 8.587 -0.395 17850 9093 1 11 . 1 1 90 90 PHE N N 90 119.339 119.339 117.987 1.352 17850 9094 1 11 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.174 -0.975 17850 9095 1 11 . 1 1 90 90 PHE C C 90 177.497 177.497 176.460 1.037 17850 9096 1 11 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.271 1.914 17850 9097 1 11 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.485 1.335 17850 9098 1 11 . 1 1 90 90 PHE H H 90 8.685 8.685 8.265 0.420 17850 9099 1 11 . 1 1 91 91 LYS N N 91 116.189 116.189 118.595 -2.406 17850 9100 1 11 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.199 -0.251 17850 9101 1 11 . 1 1 91 91 LYS C C 91 178.236 178.236 176.916 1.320 17850 9102 1 11 . 1 1 91 91 LYS CA C 91 59.514 59.514 57.633 1.881 17850 9103 1 11 . 1 1 91 91 LYS CB C 91 32.871 32.871 33.308 -0.437 17850 9104 1 11 . 1 1 91 91 LYS H H 91 8.112 8.112 7.751 0.361 17850 9105 1 11 . 1 1 92 92 VAL N N 92 117.696 117.696 117.795 -0.099 17850 9106 1 11 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.890 -0.318 17850 9107 1 11 . 1 1 92 92 VAL C C 92 176.545 176.545 176.363 0.182 17850 9108 1 11 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.133 0.439 17850 9109 1 11 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.473 -1.047 17850 9110 1 11 . 1 1 92 92 VAL H H 92 7.383 7.383 7.348 0.035 17850 9111 1 11 . 1 1 93 93 PHE N N 93 114.826 114.826 117.840 -3.014 17850 9112 1 11 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.672 -0.445 17850 9113 1 11 . 1 1 93 93 PHE C C 93 176.417 176.417 176.329 0.088 17850 9114 1 11 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.796 0.804 17850 9115 1 11 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.916 2.280 17850 9116 1 11 . 1 1 93 93 PHE H H 93 7.116 7.116 7.467 -0.351 17850 9117 1 11 . 1 1 94 94 ASP N N 94 116.753 116.753 125.213 -8.460 17850 9118 1 11 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.522 0.009 17850 9119 1 11 . 1 1 94 94 ASP C C 94 177.305 177.305 177.085 0.220 17850 9120 1 11 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.362 -2.891 17850 9121 1 11 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.476 -1.635 17850 9122 1 11 . 1 1 94 94 ASP H H 94 7.849 7.849 8.310 -0.461 17850 9123 1 11 . 1 1 95 95 LYS N N 95 125.185 125.185 119.358 5.827 17850 9124 1 11 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.170 -0.167 17850 9125 1 11 . 1 1 95 95 LYS C C 95 178.261 178.261 176.976 1.285 17850 9126 1 11 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.779 1.298 17850 9127 1 11 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.442 -1.252 17850 9128 1 11 . 1 1 95 95 LYS H H 95 7.755 7.755 7.820 -0.065 17850 9129 1 11 . 1 1 96 96 ASN N N 96 112.542 112.542 119.783 -7.241 17850 9130 1 11 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.385 0.400 17850 9131 1 11 . 1 1 96 96 ASN C C 96 176.469 176.469 174.495 1.974 17850 9132 1 11 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.981 -1.119 17850 9133 1 11 . 1 1 96 96 ASN H H 96 8.069 8.069 8.046 0.023 17850 9134 1 11 . 1 1 97 97 GLY N N 97 109.956 109.956 110.734 -0.778 17850 9135 1 11 . 1 1 97 97 GLY C C 97 175.032 175.032 175.767 -0.735 17850 9136 1 11 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.327 3.381 17850 9137 1 11 . 1 1 97 97 GLY H H 97 7.686 7.686 8.952 -1.266 17850 9138 1 11 . 1 1 98 98 ASP N N 98 119.383 119.383 120.366 -0.983 17850 9139 1 11 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.324 0.229 17850 9140 1 11 . 1 1 98 98 ASP C C 98 177.274 177.274 174.642 2.632 17850 9141 1 11 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.994 -1.660 17850 9142 1 11 . 1 1 98 98 ASP H H 98 8.249 8.249 8.104 0.145 17850 9143 1 11 . 1 1 99 99 GLY N N 99 112.398 112.398 105.438 6.960 17850 9144 1 11 . 1 1 99 99 GLY C C 99 173.128 173.128 174.027 -0.899 17850 9145 1 11 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.765 1.964 17850 9146 1 11 . 1 1 99 99 GLY H H 99 10.390 10.390 8.057 2.333 17850 9147 1 11 . 1 1 100 100 LEU N N 100 120.803 120.803 126.208 -5.405 17850 9148 1 11 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.727 0.538 17850 9149 1 11 . 1 1 100 100 LEU C C 100 176.427 176.427 177.350 -0.923 17850 9150 1 11 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.058 -2.282 17850 9151 1 11 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.448 4.753 17850 9152 1 11 . 1 1 100 100 LEU H H 100 7.987 7.987 9.140 -1.153 17850 9153 1 11 . 1 1 101 101 ILE N N 101 125.286 125.286 128.472 -3.186 17850 9154 1 11 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.478 0.244 17850 9155 1 11 . 1 1 101 101 ILE C C 101 175.432 175.432 177.085 -1.653 17850 9156 1 11 . 1 1 101 101 ILE CA C 101 60.249 60.249 61.496 -1.247 17850 9157 1 11 . 1 1 101 101 ILE CB C 101 39.064 39.064 38.896 0.168 17850 9158 1 11 . 1 1 101 101 ILE H H 101 9.698 9.698 8.232 1.466 17850 9159 1 11 . 1 1 102 102 SER N N 102 123.133 123.133 117.182 5.951 17850 9160 1 11 . 1 1 102 102 SER HA H 102 4.969 4.969 4.091 0.878 17850 9161 1 11 . 1 1 102 102 SER C C 102 175.298 175.298 176.462 -1.164 17850 9162 1 11 . 1 1 102 102 SER CA C 102 55.994 55.994 61.878 -5.884 17850 9163 1 11 . 1 1 102 102 SER CB C 102 66.456 66.456 62.118 4.338 17850 9164 1 11 . 1 1 102 102 SER H H 102 9.095 9.095 9.015 0.080 17850 9165 1 11 . 1 1 103 103 ALA N N 103 122.886 122.886 122.213 0.673 17850 9166 1 11 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.899 -0.010 17850 9167 1 11 . 1 1 103 103 ALA C C 103 179.237 179.237 179.847 -0.610 17850 9168 1 11 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.371 0.711 17850 9169 1 11 . 1 1 103 103 ALA CB C 103 18.057 18.057 18.032 0.025 17850 9170 1 11 . 1 1 103 103 ALA H H 103 8.691 8.691 8.310 0.381 17850 9171 1 11 . 1 1 104 104 ALA N N 104 118.317 118.317 120.132 -1.815 17850 9172 1 11 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.684 0.390 17850 9173 1 11 . 1 1 104 104 ALA C C 104 181.451 181.451 179.018 2.433 17850 9174 1 11 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.603 0.682 17850 9175 1 11 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.459 -0.024 17850 9176 1 11 . 1 1 104 104 ALA H H 104 8.392 8.392 8.210 0.182 17850 9177 1 11 . 1 1 105 105 GLU N N 105 120.398 120.398 117.983 2.415 17850 9178 1 11 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.668 -0.608 17850 9179 1 11 . 1 1 105 105 GLU C C 105 179.223 179.223 177.315 1.908 17850 9180 1 11 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.543 -0.080 17850 9181 1 11 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.128 -0.977 17850 9182 1 11 . 1 1 105 105 GLU H H 105 7.879 7.879 8.297 -0.418 17850 9183 1 11 . 1 1 106 106 LEU N N 106 120.023 120.023 120.588 -0.565 17850 9184 1 11 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.873 0.290 17850 9185 1 11 . 1 1 106 106 LEU C C 106 178.503 178.503 178.852 -0.349 17850 9186 1 11 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.561 0.128 17850 9187 1 11 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.036 1.251 17850 9188 1 11 . 1 1 106 106 LEU H H 106 8.479 8.479 8.703 -0.224 17850 9189 1 11 . 1 1 107 107 LYS N N 107 117.064 117.064 120.445 -3.381 17850 9190 1 11 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.980 -0.162 17850 9191 1 11 . 1 1 107 107 LYS C C 107 179.039 179.039 178.940 0.099 17850 9192 1 11 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.239 1.069 17850 9193 1 11 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.119 0.771 17850 9194 1 11 . 1 1 107 107 LYS H H 107 8.758 8.758 8.538 0.220 17850 9195 1 11 . 1 1 108 108 HIS N N 108 119.125 119.125 118.672 0.453 17850 9196 1 11 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.528 0.788 17850 9197 1 11 . 1 1 108 108 HIS C C 108 178.394 178.394 177.332 1.062 17850 9198 1 11 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.727 0.460 17850 9199 1 11 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.823 1.669 17850 9200 1 11 . 1 1 108 108 HIS H H 108 8.287 8.287 7.490 0.797 17850 9201 1 11 . 1 1 109 109 VAL N N 109 119.525 119.525 118.723 0.802 17850 9202 1 11 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.819 -0.334 17850 9203 1 11 . 1 1 109 109 VAL C C 109 178.246 178.246 178.129 0.117 17850 9204 1 11 . 1 1 109 109 VAL CA C 109 66.710 66.710 64.785 1.925 17850 9205 1 11 . 1 1 109 109 VAL CB C 109 31.572 31.572 29.653 1.919 17850 9206 1 11 . 1 1 109 109 VAL H H 109 7.915 7.915 8.706 -0.791 17850 9207 1 11 . 1 1 110 110 LEU N N 110 117.403 117.403 118.563 -1.160 17850 9208 1 11 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.234 -0.255 17850 9209 1 11 . 1 1 110 110 LEU C C 110 178.968 178.968 178.012 0.956 17850 9210 1 11 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.511 0.707 17850 9211 1 11 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.679 -1.151 17850 9212 1 11 . 1 1 110 110 LEU H H 110 8.269 8.269 8.144 0.125 17850 9213 1 11 . 1 1 111 111 THR N N 111 114.122 114.122 115.957 -1.835 17850 9214 1 11 . 1 1 111 111 THR HA H 111 4.184 4.184 4.062 0.122 17850 9215 1 11 . 1 1 111 111 THR C C 111 178.534 178.534 175.362 3.172 17850 9216 1 11 . 1 1 111 111 THR CA C 111 66.252 66.252 64.395 1.857 17850 9217 1 11 . 1 1 111 111 THR CB C 111 68.851 68.851 68.583 0.268 17850 9218 1 11 . 1 1 111 111 THR H H 111 8.441 8.441 8.072 0.369 17850 9219 1 11 . 1 1 112 112 SER N N 112 119.981 119.981 106.123 13.858 17850 9220 1 11 . 1 1 112 112 SER HA H 112 4.215 4.215 4.654 -0.439 17850 9221 1 11 . 1 1 112 112 SER C C 112 175.523 175.523 174.690 0.833 17850 9222 1 11 . 1 1 112 112 SER CA C 112 62.197 62.197 58.411 3.786 17850 9223 1 11 . 1 1 112 112 SER CB C 112 62.936 62.936 65.019 -2.083 17850 9224 1 11 . 1 1 112 112 SER H H 112 7.910 7.910 7.030 0.880 17850 9225 1 11 . 1 1 113 113 ILE N N 113 112.726 112.726 119.455 -6.729 17850 9226 1 11 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.897 0.587 17850 9227 1 11 . 1 1 113 113 ILE C C 113 175.636 175.636 175.000 0.636 17850 9228 1 11 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.095 -0.340 17850 9229 1 11 . 1 1 113 113 ILE H H 113 7.473 7.473 7.374 0.099 17850 9230 1 11 . 1 1 114 114 GLY N N 114 108.354 108.354 112.135 -3.781 17850 9231 1 11 . 1 1 114 114 GLY C C 114 174.583 174.583 173.855 0.728 17850 9232 1 11 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.622 0.228 17850 9233 1 11 . 1 1 114 114 GLY H H 114 7.652 7.652 8.110 -0.458 17850 9234 1 11 . 1 1 115 115 GLU N N 115 120.283 120.283 125.090 -4.807 17850 9235 1 11 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.640 -0.335 17850 9236 1 11 . 1 1 115 115 GLU C C 115 175.444 175.444 175.506 -0.062 17850 9237 1 11 . 1 1 115 115 GLU CA C 115 55.132 55.132 54.980 0.152 17850 9238 1 11 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.064 0.186 17850 9239 1 11 . 1 1 115 115 GLU H H 115 8.045 8.045 8.345 -0.300 17850 9240 1 11 . 1 1 116 116 LYS N N 116 124.370 124.370 124.777 -0.407 17850 9241 1 11 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.417 0.005 17850 9242 1 11 . 1 1 116 116 LYS C C 116 175.287 175.287 176.742 -1.455 17850 9243 1 11 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.666 -0.031 17850 9244 1 11 . 1 1 116 116 LYS CB C 116 32.142 32.142 33.798 -1.657 17850 9245 1 11 . 1 1 116 116 LYS H H 116 8.571 8.571 8.448 0.123 17850 9246 1 11 . 1 1 117 117 LEU N N 117 125.492 125.492 120.346 5.146 17850 9247 1 11 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.250 0.534 17850 9248 1 11 . 1 1 117 117 LEU C C 117 177.161 177.161 177.584 -0.423 17850 9249 1 11 . 1 1 117 117 LEU CA C 117 54.233 54.233 54.041 0.192 17850 9250 1 11 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.446 1.552 17850 9251 1 11 . 1 1 117 117 LEU H H 117 8.042 8.042 8.091 -0.049 17850 9252 1 11 . 1 1 118 118 THR N N 118 113.255 113.255 116.887 -3.632 17850 9253 1 11 . 1 1 118 118 THR HA H 118 4.497 4.497 3.946 0.551 17850 9254 1 11 . 1 1 118 118 THR C C 118 175.335 175.335 176.520 -1.185 17850 9255 1 11 . 1 1 118 118 THR CA C 118 60.434 60.434 66.557 -6.123 17850 9256 1 11 . 1 1 118 118 THR CB C 118 71.193 71.193 68.780 2.413 17850 9257 1 11 . 1 1 118 118 THR H H 118 8.995 8.995 8.681 0.314 17850 9258 1 11 . 1 1 119 119 ASP N N 119 120.837 120.837 117.840 2.997 17850 9259 1 11 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.495 -0.263 17850 9260 1 11 . 1 1 119 119 ASP C C 119 178.422 178.422 178.672 -0.250 17850 9261 1 11 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.658 1.438 17850 9262 1 11 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.011 -0.036 17850 9263 1 11 . 1 1 119 119 ASP H H 119 8.743 8.743 8.498 0.245 17850 9264 1 11 . 1 1 120 120 ALA N N 120 121.309 121.309 121.823 -0.514 17850 9265 1 11 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.027 0.139 17850 9266 1 11 . 1 1 120 120 ALA C C 120 179.796 179.796 180.184 -0.388 17850 9267 1 11 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.612 0.416 17850 9268 1 11 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.696 -0.376 17850 9269 1 11 . 1 1 120 120 ALA H H 120 8.304 8.304 7.386 0.918 17850 9270 1 11 . 1 1 121 121 GLU N N 121 118.068 118.068 121.097 -3.029 17850 9271 1 11 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.907 0.150 17850 9272 1 11 . 1 1 121 121 GLU C C 121 180.035 180.035 177.472 2.563 17850 9273 1 11 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.849 -1.611 17850 9274 1 11 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.903 0.526 17850 9275 1 11 . 1 1 121 121 GLU H H 121 7.705 7.705 8.635 -0.930 17850 9276 1 11 . 1 1 122 122 VAL N N 122 120.636 120.636 117.009 3.627 17850 9277 1 11 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.824 -0.287 17850 9278 1 11 . 1 1 122 122 VAL C C 122 177.120 177.120 177.242 -0.122 17850 9279 1 11 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.887 1.155 17850 9280 1 11 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.802 -0.410 17850 9281 1 11 . 1 1 122 122 VAL H H 122 7.935 7.935 8.251 -0.316 17850 9282 1 11 . 1 1 123 123 ASP N N 123 120.336 120.336 118.386 1.950 17850 9283 1 11 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.535 -0.232 17850 9284 1 11 . 1 1 123 123 ASP C C 123 179.023 179.023 177.943 1.080 17850 9285 1 11 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.155 1.788 17850 9286 1 11 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.135 -0.464 17850 9287 1 11 . 1 1 123 123 ASP H H 123 8.204 8.204 7.456 0.748 17850 9288 1 11 . 1 1 124 124 ASP N N 124 118.890 118.890 121.153 -2.263 17850 9289 1 11 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.578 -0.238 17850 9290 1 11 . 1 1 124 124 ASP C C 124 178.527 178.527 178.534 -0.007 17850 9291 1 11 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.529 0.994 17850 9292 1 11 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.814 0.006 17850 9293 1 11 . 1 1 124 124 ASP H H 124 8.272 8.272 8.001 0.271 17850 9294 1 11 . 1 1 125 125 MET N N 125 119.365 119.365 118.244 1.121 17850 9295 1 11 . 1 1 125 125 MET HA H 125 4.091 4.091 4.053 0.038 17850 9296 1 11 . 1 1 125 125 MET C C 125 178.021 178.021 178.173 -0.152 17850 9297 1 11 . 1 1 125 125 MET CA C 125 59.205 59.205 58.683 0.522 17850 9298 1 11 . 1 1 125 125 MET CB C 125 33.281 33.281 31.691 1.591 17850 9299 1 11 . 1 1 125 125 MET H H 125 7.750 7.750 8.658 -0.907 17850 9300 1 11 . 1 1 126 126 LEU N N 126 117.193 117.193 118.122 -0.929 17850 9301 1 11 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.984 -0.060 17850 9302 1 11 . 1 1 126 126 LEU C C 126 180.267 180.267 179.490 0.777 17850 9303 1 11 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.626 0.176 17850 9304 1 11 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.403 0.211 17850 9305 1 11 . 1 1 126 126 LEU H H 126 8.152 8.152 7.797 0.355 17850 9306 1 11 . 1 1 127 127 ARG N N 127 120.792 120.792 118.104 2.688 17850 9307 1 11 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.042 -0.001 17850 9308 1 11 . 1 1 127 127 ARG C C 127 178.027 178.027 177.657 0.370 17850 9309 1 11 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.630 0.651 17850 9310 1 11 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.450 -0.451 17850 9311 1 11 . 1 1 127 127 ARG H H 127 8.335 8.335 7.623 0.712 17850 9312 1 11 . 1 1 128 128 GLU N N 128 117.142 117.142 111.820 5.322 17850 9313 1 11 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.643 -0.537 17850 9314 1 11 . 1 1 128 128 GLU C C 128 178.618 178.618 175.801 2.817 17850 9315 1 11 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.596 3.609 17850 9316 1 11 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.628 -0.234 17850 9317 1 11 . 1 1 128 128 GLU H H 128 7.667 7.667 8.222 -0.555 17850 9318 1 11 . 1 1 129 129 VAL N N 129 108.345 108.345 118.551 -10.206 17850 9319 1 11 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.127 0.360 17850 9320 1 11 . 1 1 129 129 VAL C C 129 175.591 175.591 176.601 -1.010 17850 9321 1 11 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.410 -0.747 17850 9322 1 11 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.849 0.160 17850 9323 1 11 . 1 1 129 129 VAL H H 129 7.470 7.470 7.893 -0.423 17850 9324 1 11 . 1 1 130 130 SER N N 130 115.012 115.012 118.042 -3.030 17850 9325 1 11 . 1 1 130 130 SER HA H 130 4.670 4.670 4.117 0.553 17850 9326 1 11 . 1 1 130 130 SER C C 130 174.414 174.414 174.215 0.199 17850 9327 1 11 . 1 1 130 130 SER CA C 130 58.067 58.067 59.842 -1.775 17850 9328 1 11 . 1 1 130 130 SER CB C 130 65.814 65.814 61.973 3.841 17850 9329 1 11 . 1 1 130 130 SER H H 130 7.858 7.858 7.717 0.141 17850 9330 1 11 . 1 1 131 131 ASP N N 131 120.972 120.972 115.824 5.148 17850 9331 1 11 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.278 0.288 17850 9332 1 11 . 1 1 131 131 ASP C C 131 176.676 176.676 175.416 1.260 17850 9333 1 11 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.638 0.145 17850 9334 1 11 . 1 1 131 131 ASP H H 131 8.478 8.478 7.995 0.483 17850 9335 1 11 . 1 1 132 132 GLY N N 132 105.512 105.512 109.042 -3.530 17850 9336 1 11 . 1 1 132 132 GLY C C 132 174.924 174.924 175.980 -1.056 17850 9337 1 11 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.913 -1.243 17850 9338 1 11 . 1 1 132 132 GLY H H 132 8.352 8.352 7.885 0.467 17850 9339 1 11 . 1 1 133 133 SER N N 133 116.718 116.718 113.046 3.672 17850 9340 1 11 . 1 1 133 133 SER HA H 133 4.435 4.435 4.376 0.059 17850 9341 1 11 . 1 1 133 133 SER C C 133 175.404 175.404 172.436 2.968 17850 9342 1 11 . 1 1 133 133 SER CA C 133 59.340 59.340 58.313 1.027 17850 9343 1 11 . 1 1 133 133 SER H H 133 8.104 8.104 8.109 -0.005 17850 9344 1 11 . 1 1 134 134 GLY N N 134 109.601 109.601 106.822 2.779 17850 9345 1 11 . 1 1 134 134 GLY C C 134 172.547 172.547 172.621 -0.074 17850 9346 1 11 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.224 2.599 17850 9347 1 11 . 1 1 134 134 GLY H H 134 8.555 8.555 7.697 0.858 17850 9348 1 11 . 1 1 135 135 GLU N N 135 117.166 117.166 115.942 1.224 17850 9349 1 11 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.886 0.141 17850 9350 1 11 . 1 1 135 135 GLU C C 135 175.280 175.280 174.632 0.648 17850 9351 1 11 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.695 0.040 17850 9352 1 11 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.438 0.436 17850 9353 1 11 . 1 1 135 135 GLU H H 135 7.641 7.641 8.201 -0.560 17850 9354 1 11 . 1 1 136 136 ILE N N 136 114.256 114.256 125.665 -11.409 17850 9355 1 11 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.914 0.162 17850 9356 1 11 . 1 1 136 136 ILE C C 136 175.228 175.228 177.174 -1.946 17850 9357 1 11 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.528 -0.130 17850 9358 1 11 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.399 2.253 17850 9359 1 11 . 1 1 136 136 ILE H H 136 8.565 8.565 8.379 0.186 17850 9360 1 11 . 1 1 137 137 ASN N N 137 121.842 121.842 118.384 3.458 17850 9361 1 11 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.653 1.612 17850 9362 1 11 . 1 1 137 137 ASN C C 137 176.835 176.835 176.157 0.678 17850 9363 1 11 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.439 -3.412 17850 9364 1 11 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.654 2.059 17850 9365 1 11 . 1 1 137 137 ASN H H 137 8.767 8.767 8.600 0.167 17850 9366 1 11 . 1 1 138 138 ILE N N 138 118.075 118.075 118.120 -0.045 17850 9367 1 11 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.909 -0.157 17850 9368 1 11 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.143 0.629 17850 9369 1 11 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.928 0.625 17850 9370 1 11 . 1 1 138 138 ILE H H 138 8.418 8.418 8.381 0.037 17850 9371 1 11 . 1 1 139 139 GLN N N 139 122.926 122.926 119.727 3.199 17850 9372 1 11 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.049 0.077 17850 9373 1 11 . 1 1 139 139 GLN C C 139 179.886 179.886 178.876 1.010 17850 9374 1 11 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.692 0.894 17850 9375 1 11 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.456 -0.671 17850 9376 1 11 . 1 1 139 139 GLN H H 139 7.632 7.632 7.948 -0.316 17850 9377 1 11 . 1 1 140 140 GLN N N 140 121.813 121.813 120.799 1.014 17850 9378 1 11 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.831 0.330 17850 9379 1 11 . 1 1 140 140 GLN C C 140 178.284 178.284 177.468 0.816 17850 9380 1 11 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.697 -0.481 17850 9381 1 11 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.364 0.074 17850 9382 1 11 . 1 1 140 140 GLN H H 140 8.416 8.416 8.915 -0.499 17850 9383 1 11 . 1 1 141 141 PHE N N 141 121.732 121.732 118.073 3.659 17850 9384 1 11 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.768 0.384 17850 9385 1 11 . 1 1 141 141 PHE C C 141 176.273 176.273 176.482 -0.209 17850 9386 1 11 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.359 0.601 17850 9387 1 11 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.961 2.100 17850 9388 1 11 . 1 1 141 141 PHE H H 141 9.030 9.030 7.973 1.057 17850 9389 1 11 . 1 1 142 142 ALA N N 142 119.852 119.852 120.105 -0.253 17850 9390 1 11 . 1 1 142 142 ALA HA H 142 3.803 3.803 4.007 -0.204 17850 9391 1 11 . 1 1 142 142 ALA C C 142 180.733 180.733 178.714 2.019 17850 9392 1 11 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.047 1.163 17850 9393 1 11 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.235 -0.333 17850 9394 1 11 . 1 1 142 142 ALA H H 142 8.399 8.399 7.914 0.485 17850 9395 1 11 . 1 1 143 143 ALA N N 143 120.555 120.555 119.491 1.064 17850 9396 1 11 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.876 0.238 17850 9397 1 11 . 1 1 143 143 ALA C C 143 180.455 180.455 179.548 0.907 17850 9398 1 11 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.560 0.453 17850 9399 1 11 . 1 1 143 143 ALA CB C 143 17.849 17.849 18.832 -0.983 17850 9400 1 11 . 1 1 143 143 ALA H H 143 7.627 7.627 7.453 0.174 17850 9401 1 11 . 1 1 144 144 LEU N N 144 121.054 121.054 114.818 6.236 17850 9402 1 11 . 1 1 144 144 LEU HA H 144 3.933 3.933 3.935 -0.002 17850 9403 1 11 . 1 1 144 144 LEU C C 144 177.756 177.756 177.907 -0.151 17850 9404 1 11 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.636 1.060 17850 9405 1 11 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.486 0.352 17850 9406 1 11 . 1 1 144 144 LEU H H 144 8.029 8.029 7.393 0.636 17850 9407 1 11 . 1 1 145 145 LEU N N 145 115.288 115.288 116.780 -1.492 17850 9408 1 11 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.390 -0.417 17850 9409 1 11 . 1 1 145 145 LEU C C 145 177.284 177.284 175.641 1.643 17850 9410 1 11 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.864 0.420 17850 9411 1 11 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.361 -0.751 17850 9412 1 11 . 1 1 145 145 LEU H H 145 7.309 7.309 7.431 -0.122 17850 9413 1 11 . 1 1 146 146 SER N N 146 114.503 114.503 118.454 -3.951 17850 9414 1 11 . 1 1 146 146 SER HA H 146 4.346 4.346 4.589 -0.243 17850 9415 1 11 . 1 1 146 146 SER C C 146 175.125 175.125 172.766 2.359 17850 9416 1 11 . 1 1 146 146 SER CA C 146 59.046 59.046 57.169 1.877 17850 9417 1 11 . 1 1 146 146 SER CB C 146 64.181 64.181 63.556 0.625 17850 9418 1 11 . 1 1 146 146 SER H H 146 7.506 7.506 8.079 -0.573 17850 9419 1 11 . 1 1 147 147 LYS N N 147 123.315 123.315 121.272 2.043 17850 9420 1 11 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.595 -0.428 17850 9421 1 11 . 1 1 147 147 LYS CA C 147 57.682 57.682 55.555 2.127 17850 9422 1 11 . 1 1 147 147 LYS H H 147 8.329 8.329 8.120 0.209 17850 9423 1 11 . 1 1 148 148 GLY N N 148 108.566 108.566 108.054 0.512 17850 9424 1 11 . 1 1 148 148 GLY C C 148 174.394 174.394 175.865 -1.471 17850 9425 1 11 . 1 1 148 148 GLY CA C 148 45.528 45.528 46.176 -0.648 17850 9426 1 11 . 1 1 148 148 GLY H H 148 8.353 8.353 7.732 0.621 17850 9427 1 11 . 1 1 149 149 SER N N 149 115.356 115.356 117.225 -1.869 17850 9428 1 11 . 1 1 149 149 SER HA H 149 4.484 4.484 4.587 -0.103 17850 9429 1 11 . 1 1 149 149 SER C C 149 175.038 175.038 174.346 0.692 17850 9430 1 11 . 1 1 149 149 SER CA C 149 58.418 58.418 58.533 -0.115 17850 9431 1 11 . 1 1 149 149 SER CB C 149 64.171 64.171 63.424 0.747 17850 9432 1 11 . 1 1 149 149 SER H H 149 7.993 7.993 8.270 -0.277 17850 9433 1 11 . 1 1 150 150 SER N N 150 118.028 118.028 112.871 5.157 17850 9434 1 11 . 1 1 150 150 SER HA H 150 4.490 4.490 4.697 -0.207 17850 9435 1 11 . 1 1 150 150 SER C C 150 175.034 175.034 173.332 1.702 17850 9436 1 11 . 1 1 150 150 SER CA C 150 59.029 59.029 56.146 2.883 17850 9437 1 11 . 1 1 150 150 SER CB C 150 63.407 63.407 65.073 -1.666 17850 9438 1 11 . 1 1 150 150 SER H H 150 8.530 8.530 7.379 1.151 17850 9439 1 12 . 1 1 1 1 GLY N N 1 109.911 109.911 109.705 0.206 17850 9440 1 12 . 1 1 1 1 GLY CA C 1 45.436 45.436 45.492 -0.056 17850 9441 1 12 . 1 1 1 1 GLY H H 1 8.410 8.410 8.556 -0.146 17850 9442 1 12 . 1 1 2 2 SER N N 2 115.579 115.579 116.612 -1.033 17850 9443 1 12 . 1 1 2 2 SER HA H 2 4.474 4.474 4.563 -0.089 17850 9444 1 12 . 1 1 2 2 SER C C 2 174.661 174.661 173.838 0.823 17850 9445 1 12 . 1 1 2 2 SER CA C 2 58.374 58.374 57.560 0.814 17850 9446 1 12 . 1 1 2 2 SER CB C 2 63.986 63.986 64.017 -0.031 17850 9447 1 12 . 1 1 2 2 SER H H 2 8.207 8.207 8.039 0.168 17850 9448 1 12 . 1 1 3 3 SER N N 3 117.154 117.154 120.957 -3.803 17850 9449 1 12 . 1 1 3 3 SER HA H 3 4.439 4.439 4.694 -0.255 17850 9450 1 12 . 1 1 3 3 SER C C 3 174.122 174.122 173.132 0.990 17850 9451 1 12 . 1 1 3 3 SER CA C 3 58.695 58.695 58.211 0.484 17850 9452 1 12 . 1 1 3 3 SER CB C 3 63.865 63.865 63.151 0.714 17850 9453 1 12 . 1 1 3 3 SER H H 3 8.337 8.337 8.544 -0.207 17850 9454 1 12 . 1 1 4 4 ASN N N 4 120.145 120.145 118.853 1.292 17850 9455 1 12 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.416 -0.690 17850 9456 1 12 . 1 1 4 4 ASN C C 4 174.741 174.741 175.135 -0.394 17850 9457 1 12 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.046 1.280 17850 9458 1 12 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.928 -2.126 17850 9459 1 12 . 1 1 4 4 ASN H H 4 8.432 8.432 8.033 0.399 17850 9460 1 12 . 1 1 5 5 LEU N N 5 121.341 121.341 117.510 3.831 17850 9461 1 12 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.564 0.115 17850 9462 1 12 . 1 1 5 5 LEU C C 5 177.641 177.641 177.375 0.266 17850 9463 1 12 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.668 1.797 17850 9464 1 12 . 1 1 5 5 LEU CB C 5 43.713 43.713 45.204 -1.491 17850 9465 1 12 . 1 1 5 5 LEU H H 5 7.966 7.966 8.159 -0.193 17850 9466 1 12 . 1 1 6 6 THR N N 6 113.168 113.168 115.835 -2.667 17850 9467 1 12 . 1 1 6 6 THR HA H 6 4.470 4.470 3.938 0.532 17850 9468 1 12 . 1 1 6 6 THR C C 6 175.390 175.390 176.337 -0.947 17850 9469 1 12 . 1 1 6 6 THR CA C 6 60.543 60.543 65.407 -4.864 17850 9470 1 12 . 1 1 6 6 THR CB C 6 71.190 71.190 68.436 2.755 17850 9471 1 12 . 1 1 6 6 THR H H 6 8.716 8.716 8.862 -0.146 17850 9472 1 12 . 1 1 7 7 GLU N N 7 120.480 120.480 118.775 1.705 17850 9473 1 12 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.167 -0.182 17850 9474 1 12 . 1 1 7 7 GLU C C 7 179.475 179.475 178.587 0.888 17850 9475 1 12 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.436 1.637 17850 9476 1 12 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.545 -0.252 17850 9477 1 12 . 1 1 7 7 GLU H H 7 8.997 8.997 7.916 1.081 17850 9478 1 12 . 1 1 8 8 GLU N N 8 119.766 119.766 118.204 1.562 17850 9479 1 12 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.263 -0.176 17850 9480 1 12 . 1 1 8 8 GLU C C 8 178.641 178.641 179.294 -0.653 17850 9481 1 12 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.460 1.375 17850 9482 1 12 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.115 -0.717 17850 9483 1 12 . 1 1 8 8 GLU H H 8 8.603 8.603 8.210 0.393 17850 9484 1 12 . 1 1 9 9 GLN N N 9 119.234 119.234 118.992 0.242 17850 9485 1 12 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.248 -0.319 17850 9486 1 12 . 1 1 9 9 GLN C C 9 178.969 178.969 177.920 1.049 17850 9487 1 12 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.334 2.385 17850 9488 1 12 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.145 3.437 17850 9489 1 12 . 1 1 9 9 GLN H H 9 7.730 7.730 8.538 -0.808 17850 9490 1 12 . 1 1 10 10 ILE N N 10 119.661 119.661 119.175 0.486 17850 9491 1 12 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.124 -0.361 17850 9492 1 12 . 1 1 10 10 ILE C C 10 178.040 178.040 177.814 0.226 17850 9493 1 12 . 1 1 10 10 ILE CA C 10 66.221 66.221 64.027 2.194 17850 9494 1 12 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.366 0.586 17850 9495 1 12 . 1 1 10 10 ILE H H 10 8.398 8.398 7.804 0.594 17850 9496 1 12 . 1 1 11 11 ALA N N 11 121.678 121.678 122.385 -0.707 17850 9497 1 12 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.153 -0.020 17850 9498 1 12 . 1 1 11 11 ALA C C 11 181.140 181.140 180.036 1.104 17850 9499 1 12 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.113 1.341 17850 9500 1 12 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.735 -0.824 17850 9501 1 12 . 1 1 11 11 ALA H H 11 8.037 8.037 7.960 0.077 17850 9502 1 12 . 1 1 12 12 GLU N N 12 118.175 118.175 119.262 -1.087 17850 9503 1 12 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.059 0.059 17850 9504 1 12 . 1 1 12 12 GLU C C 12 180.185 180.185 178.965 1.220 17850 9505 1 12 . 1 1 12 12 GLU CA C 12 59.195 59.195 60.185 -0.990 17850 9506 1 12 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.875 0.504 17850 9507 1 12 . 1 1 12 12 GLU H H 12 7.869 7.869 7.792 0.077 17850 9508 1 12 . 1 1 13 13 PHE N N 13 119.011 119.011 119.171 -0.160 17850 9509 1 12 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.140 0.750 17850 9510 1 12 . 1 1 13 13 PHE C C 13 178.486 178.486 178.100 0.386 17850 9511 1 12 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.783 -1.334 17850 9512 1 12 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.447 0.452 17850 9513 1 12 . 1 1 13 13 PHE H H 13 8.429 8.429 7.926 0.503 17850 9514 1 12 . 1 1 14 14 LYS N N 14 123.459 123.459 118.434 5.025 17850 9515 1 12 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.069 -0.037 17850 9516 1 12 . 1 1 14 14 LYS C C 14 179.131 179.131 178.917 0.214 17850 9517 1 12 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.258 1.232 17850 9518 1 12 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.117 -0.204 17850 9519 1 12 . 1 1 14 14 LYS H H 14 8.925 8.925 8.490 0.435 17850 9520 1 12 . 1 1 15 15 GLU N N 15 119.581 119.581 116.747 2.834 17850 9521 1 12 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.399 -0.231 17850 9522 1 12 . 1 1 15 15 GLU C C 15 179.163 179.163 177.620 1.543 17850 9523 1 12 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.767 0.619 17850 9524 1 12 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.505 -0.118 17850 9525 1 12 . 1 1 15 15 GLU H H 15 8.064 8.064 8.075 -0.011 17850 9526 1 12 . 1 1 16 16 ALA N N 16 120.993 120.993 122.231 -1.238 17850 9527 1 12 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.449 0.793 17850 9528 1 12 . 1 1 16 16 ALA C C 16 177.628 177.628 178.126 -0.498 17850 9529 1 12 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.478 2.707 17850 9530 1 12 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.938 -2.014 17850 9531 1 12 . 1 1 16 16 ALA H H 16 7.801 7.801 8.024 -0.223 17850 9532 1 12 . 1 1 17 17 PHE N N 17 118.745 118.745 119.224 -0.479 17850 9533 1 12 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.308 -0.954 17850 9534 1 12 . 1 1 17 17 PHE C C 17 177.500 177.500 176.657 0.843 17850 9535 1 12 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.820 1.880 17850 9536 1 12 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.033 1.945 17850 9537 1 12 . 1 1 17 17 PHE H H 17 8.469 8.469 8.144 0.325 17850 9538 1 12 . 1 1 18 18 ALA N N 18 119.942 119.942 118.220 1.722 17850 9539 1 12 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.942 0.068 17850 9540 1 12 . 1 1 18 18 ALA C C 18 178.535 178.535 178.433 0.102 17850 9541 1 12 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.145 0.271 17850 9542 1 12 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.413 0.074 17850 9543 1 12 . 1 1 18 18 ALA H H 18 8.187 8.187 7.229 0.958 17850 9544 1 12 . 1 1 19 19 LEU N N 19 116.851 116.851 114.862 1.989 17850 9545 1 12 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.253 -0.293 17850 9546 1 12 . 1 1 19 19 LEU C C 19 176.795 176.795 177.208 -0.413 17850 9547 1 12 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.519 2.916 17850 9548 1 12 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.888 -1.206 17850 9549 1 12 . 1 1 19 19 LEU H H 19 7.254 7.254 7.373 -0.119 17850 9550 1 12 . 1 1 20 20 PHE N N 20 111.977 111.977 121.528 -9.551 17850 9551 1 12 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.364 -0.105 17850 9552 1 12 . 1 1 20 20 PHE C C 20 177.033 177.033 176.742 0.291 17850 9553 1 12 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.123 -0.467 17850 9554 1 12 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.612 4.551 17850 9555 1 12 . 1 1 20 20 PHE H H 20 7.041 7.041 8.015 -0.974 17850 9556 1 12 . 1 1 21 21 ASP N N 21 116.981 116.981 124.341 -7.360 17850 9557 1 12 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.359 0.227 17850 9558 1 12 . 1 1 21 21 ASP C C 21 177.297 177.297 176.998 0.299 17850 9559 1 12 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.264 -3.593 17850 9560 1 12 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.317 -1.315 17850 9561 1 12 . 1 1 21 21 ASP H H 21 7.567 7.567 8.091 -0.524 17850 9562 1 12 . 1 1 22 22 LYS N N 22 124.748 124.748 115.770 8.978 17850 9563 1 12 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.131 -0.139 17850 9564 1 12 . 1 1 22 22 LYS C C 22 177.866 177.866 175.712 2.154 17850 9565 1 12 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.443 1.790 17850 9566 1 12 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.404 0.223 17850 9567 1 12 . 1 1 22 22 LYS H H 22 7.820 7.820 8.284 -0.464 17850 9568 1 12 . 1 1 23 23 ASP N N 23 114.211 114.211 117.351 -3.140 17850 9569 1 12 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.448 0.155 17850 9570 1 12 . 1 1 23 23 ASP C C 23 176.266 176.266 175.243 1.023 17850 9571 1 12 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.708 -2.061 17850 9572 1 12 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.584 -0.301 17850 9573 1 12 . 1 1 23 23 ASP H H 23 8.025 8.025 8.514 -0.489 17850 9574 1 12 . 1 1 24 24 ASN N N 24 115.587 115.587 117.547 -1.960 17850 9575 1 12 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.750 -0.361 17850 9576 1 12 . 1 1 24 24 ASN C C 24 174.828 174.828 176.283 -1.455 17850 9577 1 12 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.903 1.604 17850 9578 1 12 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.855 -0.824 17850 9579 1 12 . 1 1 24 24 ASN H H 24 7.962 7.962 8.364 -0.402 17850 9580 1 12 . 1 1 25 25 ASN N N 25 117.385 117.385 117.151 0.234 17850 9581 1 12 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.608 0.240 17850 9582 1 12 . 1 1 25 25 ASN C C 25 177.553 177.553 174.148 3.405 17850 9583 1 12 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.989 -0.674 17850 9584 1 12 . 1 1 25 25 ASN H H 25 8.489 8.489 8.020 0.469 17850 9585 1 12 . 1 1 26 26 GLY N N 26 113.934 113.934 107.840 6.094 17850 9586 1 12 . 1 1 26 26 GLY C C 26 173.371 173.371 173.559 -0.188 17850 9587 1 12 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.427 0.111 17850 9588 1 12 . 1 1 26 26 GLY H H 26 10.580 10.580 8.108 2.472 17850 9589 1 12 . 1 1 27 27 SER N N 27 113.842 113.842 122.186 -8.344 17850 9590 1 12 . 1 1 27 27 SER HA H 27 5.358 5.358 4.779 0.579 17850 9591 1 12 . 1 1 27 27 SER C C 27 172.645 172.645 174.834 -2.189 17850 9592 1 12 . 1 1 27 27 SER CA C 27 57.474 57.474 57.164 0.310 17850 9593 1 12 . 1 1 27 27 SER CB C 27 66.576 66.576 63.407 3.169 17850 9594 1 12 . 1 1 27 27 SER H H 27 7.793 7.793 9.042 -1.249 17850 9595 1 12 . 1 1 28 28 ILE N N 28 127.597 127.597 128.349 -0.752 17850 9596 1 12 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.112 0.713 17850 9597 1 12 . 1 1 28 28 ILE C C 28 175.890 175.890 177.326 -1.436 17850 9598 1 12 . 1 1 28 28 ILE CA C 28 60.176 60.176 61.417 -1.241 17850 9599 1 12 . 1 1 28 28 ILE CB C 28 39.094 39.094 38.917 0.177 17850 9600 1 12 . 1 1 28 28 ILE H H 28 9.787 9.787 8.278 1.509 17850 9601 1 12 . 1 1 29 29 SER N N 29 124.860 124.860 116.795 8.065 17850 9602 1 12 . 1 1 29 29 SER HA H 29 4.813 4.813 4.253 0.560 17850 9603 1 12 . 1 1 29 29 SER C C 29 175.477 175.477 176.704 -1.227 17850 9604 1 12 . 1 1 29 29 SER CA C 29 56.583 56.583 60.870 -4.287 17850 9605 1 12 . 1 1 29 29 SER CB C 29 66.269 66.269 62.607 3.662 17850 9606 1 12 . 1 1 29 29 SER H H 29 9.320 9.320 8.077 1.243 17850 9607 1 12 . 1 1 30 30 SER N N 30 117.383 117.383 116.261 1.122 17850 9608 1 12 . 1 1 30 30 SER HA H 30 4.141 4.141 4.215 -0.074 17850 9609 1 12 . 1 1 30 30 SER C C 30 176.531 176.531 175.528 1.003 17850 9610 1 12 . 1 1 30 30 SER CA C 30 62.690 62.690 61.457 1.233 17850 9611 1 12 . 1 1 30 30 SER CB C 30 62.264 62.264 62.905 -0.641 17850 9612 1 12 . 1 1 30 30 SER H H 30 9.554 9.554 7.669 1.885 17850 9613 1 12 . 1 1 31 31 SER N N 31 116.232 116.232 116.121 0.111 17850 9614 1 12 . 1 1 31 31 SER HA H 31 4.309 4.309 4.262 0.047 17850 9615 1 12 . 1 1 31 31 SER C C 31 178.017 178.017 176.483 1.534 17850 9616 1 12 . 1 1 31 31 SER CA C 31 61.332 61.332 60.466 0.866 17850 9617 1 12 . 1 1 31 31 SER CB C 31 62.512 62.512 63.291 -0.779 17850 9618 1 12 . 1 1 31 31 SER H H 31 8.141 8.141 7.861 0.280 17850 9619 1 12 . 1 1 32 32 GLU N N 32 125.663 125.663 120.567 5.096 17850 9620 1 12 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.953 0.100 17850 9621 1 12 . 1 1 32 32 GLU C C 32 179.222 179.222 177.271 1.951 17850 9622 1 12 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.807 -0.108 17850 9623 1 12 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.644 -0.392 17850 9624 1 12 . 1 1 32 32 GLU H H 32 7.947 7.947 8.411 -0.464 17850 9625 1 12 . 1 1 33 33 LEU N N 33 120.624 120.624 117.891 2.733 17850 9626 1 12 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.053 0.115 17850 9627 1 12 . 1 1 33 33 LEU C C 33 178.493 178.493 178.990 -0.497 17850 9628 1 12 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.753 1.154 17850 9629 1 12 . 1 1 33 33 LEU CB C 33 42.317 42.317 40.958 1.359 17850 9630 1 12 . 1 1 33 33 LEU H H 33 8.424 8.424 8.027 0.397 17850 9631 1 12 . 1 1 34 34 ALA N N 34 119.635 119.635 121.348 -1.713 17850 9632 1 12 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.094 -0.270 17850 9633 1 12 . 1 1 34 34 ALA C C 34 179.360 179.360 179.158 0.202 17850 9634 1 12 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.707 -0.111 17850 9635 1 12 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.882 -0.205 17850 9636 1 12 . 1 1 34 34 ALA H H 34 8.410 8.410 7.982 0.428 17850 9637 1 12 . 1 1 35 35 THR N N 35 114.602 114.602 117.413 -2.811 17850 9638 1 12 . 1 1 35 35 THR HA H 35 3.886 3.886 3.917 -0.031 17850 9639 1 12 . 1 1 35 35 THR C C 35 177.278 177.278 176.050 1.228 17850 9640 1 12 . 1 1 35 35 THR CA C 35 67.317 67.317 65.754 1.563 17850 9641 1 12 . 1 1 35 35 THR CB C 35 68.774 68.774 69.052 -0.278 17850 9642 1 12 . 1 1 35 35 THR H H 35 8.263 8.263 7.851 0.412 17850 9643 1 12 . 1 1 36 36 VAL N N 36 122.295 122.295 117.724 4.571 17850 9644 1 12 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.566 0.039 17850 9645 1 12 . 1 1 36 36 VAL C C 36 178.653 178.653 178.244 0.409 17850 9646 1 12 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.868 -0.130 17850 9647 1 12 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.372 -0.069 17850 9648 1 12 . 1 1 36 36 VAL H H 36 7.790 7.790 7.713 0.077 17850 9649 1 12 . 1 1 37 37 MET N N 37 117.677 117.677 116.405 1.272 17850 9650 1 12 . 1 1 37 37 MET HA H 37 3.642 3.642 4.396 -0.754 17850 9651 1 12 . 1 1 37 37 MET C C 37 178.172 178.172 179.044 -0.872 17850 9652 1 12 . 1 1 37 37 MET CA C 37 60.506 60.506 58.014 2.492 17850 9653 1 12 . 1 1 37 37 MET CB C 37 32.347 32.347 31.769 0.578 17850 9654 1 12 . 1 1 37 37 MET H H 37 8.081 8.081 7.937 0.144 17850 9655 1 12 . 1 1 38 38 ARG N N 38 118.309 118.309 119.663 -1.354 17850 9656 1 12 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.070 0.618 17850 9657 1 12 . 1 1 38 38 ARG C C 38 181.486 181.486 177.278 4.208 17850 9658 1 12 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.526 0.575 17850 9659 1 12 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.777 0.235 17850 9660 1 12 . 1 1 38 38 ARG H H 38 8.547 8.547 7.909 0.638 17850 9661 1 12 . 1 1 39 39 SER N N 39 119.250 119.250 111.905 7.345 17850 9662 1 12 . 1 1 39 39 SER HA H 39 4.301 4.301 4.384 -0.083 17850 9663 1 12 . 1 1 39 39 SER C C 39 174.899 174.899 174.729 0.170 17850 9664 1 12 . 1 1 39 39 SER CA C 39 61.925 61.925 58.481 3.444 17850 9665 1 12 . 1 1 39 39 SER CB C 39 62.773 62.773 63.524 -0.751 17850 9666 1 12 . 1 1 39 39 SER H H 39 8.226 8.226 7.680 0.546 17850 9667 1 12 . 1 1 40 40 LEU N N 40 119.516 119.516 116.342 3.174 17850 9668 1 12 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.031 0.239 17850 9669 1 12 . 1 1 40 40 LEU C C 40 176.681 176.681 176.202 0.479 17850 9670 1 12 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.368 0.215 17850 9671 1 12 . 1 1 40 40 LEU H H 40 7.343 7.343 7.670 -0.327 17850 9672 1 12 . 1 1 41 41 GLY N N 41 105.983 105.983 107.693 -1.710 17850 9673 1 12 . 1 1 41 41 GLY C C 41 174.471 174.471 175.219 -0.748 17850 9674 1 12 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.949 0.290 17850 9675 1 12 . 1 1 41 41 GLY H H 41 7.858 7.858 7.787 0.071 17850 9676 1 12 . 1 1 42 42 LEU N N 42 120.442 120.442 118.619 1.823 17850 9677 1 12 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.560 -0.089 17850 9678 1 12 . 1 1 42 42 LEU C C 42 175.965 175.965 174.319 1.646 17850 9679 1 12 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.143 1.102 17850 9680 1 12 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.752 -0.221 17850 9681 1 12 . 1 1 42 42 LEU H H 42 7.707 7.707 8.358 -0.651 17850 9682 1 12 . 1 1 43 43 SER HA H 43 4.798 4.798 4.354 0.444 17850 9683 1 12 . 1 1 43 43 SER CA C 43 54.912 54.912 57.524 -2.612 17850 9684 1 12 . 1 1 43 43 SER CB C 43 63.197 63.197 62.935 0.262 17850 9685 1 12 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.396 0.396 17850 9686 1 12 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.140 -0.259 17850 9687 1 12 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.806 -0.605 17850 9688 1 12 . 1 1 45 45 SER N N 45 119.898 119.898 122.149 -2.251 17850 9689 1 12 . 1 1 45 45 SER HA H 45 4.611 4.611 4.035 0.576 17850 9690 1 12 . 1 1 45 45 SER C C 45 174.913 174.913 176.417 -1.504 17850 9691 1 12 . 1 1 45 45 SER CA C 45 56.689 56.689 61.398 -4.709 17850 9692 1 12 . 1 1 45 45 SER CB C 45 65.502 65.502 63.367 2.135 17850 9693 1 12 . 1 1 45 45 SER H H 45 9.387 9.387 9.065 0.322 17850 9694 1 12 . 1 1 46 46 GLU N N 46 121.468 121.468 118.424 3.044 17850 9695 1 12 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.197 -0.258 17850 9696 1 12 . 1 1 46 46 GLU C C 46 179.002 179.002 178.822 0.180 17850 9697 1 12 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.269 0.866 17850 9698 1 12 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.827 0.520 17850 9699 1 12 . 1 1 46 46 GLU H H 46 8.913 8.913 8.480 0.433 17850 9700 1 12 . 1 1 47 47 ALA N N 47 121.115 121.115 121.596 -0.481 17850 9701 1 12 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.140 0.012 17850 9702 1 12 . 1 1 47 47 ALA C C 47 179.962 179.962 180.153 -0.191 17850 9703 1 12 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.646 0.472 17850 9704 1 12 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.102 -0.747 17850 9705 1 12 . 1 1 47 47 ALA H H 47 8.324 8.324 7.360 0.964 17850 9706 1 12 . 1 1 48 48 GLU N N 48 118.713 118.713 119.755 -1.042 17850 9707 1 12 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.879 0.225 17850 9708 1 12 . 1 1 48 48 GLU C C 48 179.558 179.558 178.351 1.207 17850 9709 1 12 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.105 -1.887 17850 9710 1 12 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.936 0.968 17850 9711 1 12 . 1 1 48 48 GLU H H 48 7.756 7.756 9.070 -1.314 17850 9712 1 12 . 1 1 49 49 VAL N N 49 119.108 119.108 119.653 -0.545 17850 9713 1 12 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.973 -0.509 17850 9714 1 12 . 1 1 49 49 VAL C C 49 177.505 177.505 178.086 -0.581 17850 9715 1 12 . 1 1 49 49 VAL CA C 49 67.471 67.471 64.922 2.549 17850 9716 1 12 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.478 -0.037 17850 9717 1 12 . 1 1 49 49 VAL H H 49 8.129 8.129 7.410 0.719 17850 9718 1 12 . 1 1 50 50 ASN N N 50 117.942 117.942 119.193 -1.251 17850 9719 1 12 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.460 -0.072 17850 9720 1 12 . 1 1 50 50 ASN C C 50 177.275 177.275 177.208 0.067 17850 9721 1 12 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.861 0.920 17850 9722 1 12 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.311 0.086 17850 9723 1 12 . 1 1 50 50 ASN H H 50 8.071 8.071 7.724 0.347 17850 9724 1 12 . 1 1 51 51 ASP N N 51 120.669 120.669 118.564 2.105 17850 9725 1 12 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.487 0.004 17850 9726 1 12 . 1 1 51 51 ASP C C 51 179.203 179.203 178.180 1.023 17850 9727 1 12 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.778 0.817 17850 9728 1 12 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.194 -0.880 17850 9729 1 12 . 1 1 51 51 ASP H H 51 8.364 8.364 8.318 0.046 17850 9730 1 12 . 1 1 52 52 LEU N N 52 122.409 122.409 118.459 3.950 17850 9731 1 12 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.009 0.061 17850 9732 1 12 . 1 1 52 52 LEU C C 52 179.017 179.017 178.143 0.874 17850 9733 1 12 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.923 0.534 17850 9734 1 12 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.252 0.829 17850 9735 1 12 . 1 1 52 52 LEU H H 52 8.018 8.018 8.311 -0.293 17850 9736 1 12 . 1 1 53 53 MET N N 53 117.391 117.391 118.229 -0.838 17850 9737 1 12 . 1 1 53 53 MET HA H 53 4.112 4.112 4.379 -0.267 17850 9738 1 12 . 1 1 53 53 MET CA C 53 57.472 57.472 57.855 -0.383 17850 9739 1 12 . 1 1 53 53 MET CB C 53 30.021 30.021 33.065 -3.044 17850 9740 1 12 . 1 1 53 53 MET H H 53 8.562 8.562 8.547 0.015 17850 9741 1 12 . 1 1 54 54 ASN N N 54 115.554 115.554 115.444 0.110 17850 9742 1 12 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.734 -0.176 17850 9743 1 12 . 1 1 54 54 ASN C C 54 176.801 176.801 175.269 1.532 17850 9744 1 12 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.501 1.796 17850 9745 1 12 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.192 -1.035 17850 9746 1 12 . 1 1 54 54 ASN H H 54 8.204 8.204 8.228 -0.024 17850 9747 1 12 . 1 1 55 55 GLU N N 55 117.659 117.659 117.316 0.343 17850 9748 1 12 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.406 -0.204 17850 9749 1 12 . 1 1 55 55 GLU C C 55 177.093 177.093 177.079 0.014 17850 9750 1 12 . 1 1 55 55 GLU CA C 55 57.827 57.827 56.262 1.565 17850 9751 1 12 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.034 -0.014 17850 9752 1 12 . 1 1 55 55 GLU H H 55 7.617 7.617 7.440 0.177 17850 9753 1 12 . 1 1 56 56 ILE N N 56 117.618 117.618 123.133 -5.515 17850 9754 1 12 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.122 -0.238 17850 9755 1 12 . 1 1 56 56 ILE C C 56 176.029 176.029 176.810 -0.781 17850 9756 1 12 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.004 -0.190 17850 9757 1 12 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.425 1.503 17850 9758 1 12 . 1 1 56 56 ILE H H 56 7.472 7.472 7.966 -0.494 17850 9759 1 12 . 1 1 57 57 ASP N N 57 118.636 118.636 125.252 -6.616 17850 9760 1 12 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.457 -0.045 17850 9761 1 12 . 1 1 57 57 ASP C C 57 175.691 175.691 176.790 -1.099 17850 9762 1 12 . 1 1 57 57 ASP CA C 57 54.533 54.533 56.159 -1.626 17850 9763 1 12 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.231 0.014 17850 9764 1 12 . 1 1 57 57 ASP H H 57 8.304 8.304 9.082 -0.778 17850 9765 1 12 . 1 1 58 58 VAL N N 58 126.376 126.376 117.202 9.174 17850 9766 1 12 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.104 -0.110 17850 9767 1 12 . 1 1 58 58 VAL C C 58 177.258 177.258 177.043 0.215 17850 9768 1 12 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.836 2.498 17850 9769 1 12 . 1 1 58 58 VAL CB C 58 33.307 33.307 31.766 1.541 17850 9770 1 12 . 1 1 58 58 VAL H H 58 7.926 7.926 7.713 0.213 17850 9771 1 12 . 1 1 59 59 ASP N N 59 117.093 117.093 119.750 -2.657 17850 9772 1 12 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.255 0.302 17850 9773 1 12 . 1 1 59 59 ASP C C 59 177.759 177.759 176.797 0.962 17850 9774 1 12 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.919 -1.043 17850 9775 1 12 . 1 1 59 59 ASP H H 59 8.363 8.363 8.327 0.036 17850 9776 1 12 . 1 1 60 60 GLY N N 60 108.290 108.290 108.474 -0.184 17850 9777 1 12 . 1 1 60 60 GLY C C 60 174.700 174.700 175.289 -0.589 17850 9778 1 12 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.925 3.195 17850 9779 1 12 . 1 1 60 60 GLY H H 60 7.636 7.636 8.871 -1.235 17850 9780 1 12 . 1 1 61 61 ASN N N 61 118.884 118.884 115.430 3.454 17850 9781 1 12 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.257 0.272 17850 9782 1 12 . 1 1 61 61 ASN C C 61 175.856 175.856 172.841 3.015 17850 9783 1 12 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.803 -2.442 17850 9784 1 12 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.773 0.404 17850 9785 1 12 . 1 1 61 61 ASN H H 61 8.078 8.078 8.949 -0.871 17850 9786 1 12 . 1 1 62 62 HIS N N 62 117.381 117.381 112.691 4.690 17850 9787 1 12 . 1 1 62 62 HIS HA H 62 3.877 3.877 4.968 -1.091 17850 9788 1 12 . 1 1 62 62 HIS C C 62 172.310 172.310 173.753 -1.443 17850 9789 1 12 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.158 2.215 17850 9790 1 12 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.103 -8.369 17850 9791 1 12 . 1 1 62 62 HIS H H 62 9.958 9.958 8.650 1.308 17850 9792 1 12 . 1 1 63 63 GLN N N 63 112.906 112.906 120.686 -7.780 17850 9793 1 12 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.067 -0.235 17850 9794 1 12 . 1 1 63 63 GLN C C 63 174.861 174.861 176.266 -1.405 17850 9795 1 12 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.527 -0.652 17850 9796 1 12 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.021 2.129 17850 9797 1 12 . 1 1 63 63 GLN H H 63 7.535 7.535 8.406 -0.871 17850 9798 1 12 . 1 1 64 64 ILE N N 64 124.083 124.083 127.408 -3.325 17850 9799 1 12 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.865 0.207 17850 9800 1 12 . 1 1 64 64 ILE C C 64 176.670 176.670 176.533 0.137 17850 9801 1 12 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.365 -0.694 17850 9802 1 12 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.230 -1.063 17850 9803 1 12 . 1 1 64 64 ILE H H 64 9.274 9.274 9.294 -0.020 17850 9804 1 12 . 1 1 65 65 GLU N N 65 129.276 129.276 120.227 9.049 17850 9805 1 12 . 1 1 65 65 GLU HA H 65 5.040 5.040 3.254 1.786 17850 9806 1 12 . 1 1 65 65 GLU C C 65 178.156 178.156 176.589 1.567 17850 9807 1 12 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.456 0.392 17850 9808 1 12 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.841 1.339 17850 9809 1 12 . 1 1 65 65 GLU H H 65 8.848 8.848 9.201 -0.353 17850 9810 1 12 . 1 1 66 66 PHE N N 66 124.260 124.260 118.907 5.353 17850 9811 1 12 . 1 1 66 66 PHE HA H 66 3.690 3.690 4.097 -0.407 17850 9812 1 12 . 1 1 66 66 PHE C C 66 177.294 177.294 176.141 1.153 17850 9813 1 12 . 1 1 66 66 PHE CA C 66 62.020 62.020 59.900 2.120 17850 9814 1 12 . 1 1 66 66 PHE CB C 66 37.954 37.954 39.026 -1.072 17850 9815 1 12 . 1 1 66 66 PHE H H 66 9.353 9.353 8.237 1.116 17850 9816 1 12 . 1 1 67 67 SER N N 67 112.827 112.827 116.746 -3.919 17850 9817 1 12 . 1 1 67 67 SER HA H 67 3.726 3.726 4.287 -0.561 17850 9818 1 12 . 1 1 67 67 SER C C 67 177.352 177.352 175.927 1.425 17850 9819 1 12 . 1 1 67 67 SER CA C 67 61.581 61.581 60.268 1.313 17850 9820 1 12 . 1 1 67 67 SER CB C 67 61.379 61.379 63.067 -1.688 17850 9821 1 12 . 1 1 67 67 SER H H 67 9.035 9.035 7.818 1.217 17850 9822 1 12 . 1 1 68 68 GLU N N 68 123.071 123.071 120.918 2.153 17850 9823 1 12 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.955 0.180 17850 9824 1 12 . 1 1 68 68 GLU C C 68 178.895 178.895 178.054 0.841 17850 9825 1 12 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.374 -2.396 17850 9826 1 12 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.215 -0.938 17850 9827 1 12 . 1 1 68 68 GLU H H 68 6.829 6.829 8.528 -1.699 17850 9828 1 12 . 1 1 69 69 PHE N N 69 123.805 123.805 115.815 7.990 17850 9829 1 12 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.101 -0.202 17850 9830 1 12 . 1 1 69 69 PHE C C 69 176.325 176.325 175.799 0.526 17850 9831 1 12 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.002 1.424 17850 9832 1 12 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.160 3.268 17850 9833 1 12 . 1 1 69 69 PHE H H 69 8.245 8.245 7.761 0.484 17850 9834 1 12 . 1 1 70 70 LEU N N 70 119.210 119.210 119.169 0.041 17850 9835 1 12 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.130 -0.894 17850 9836 1 12 . 1 1 70 70 LEU C C 70 179.131 179.131 179.002 0.129 17850 9837 1 12 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.273 1.204 17850 9838 1 12 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.549 -0.221 17850 9839 1 12 . 1 1 70 70 LEU H H 70 8.788 8.788 7.155 1.633 17850 9840 1 12 . 1 1 71 71 ALA N N 71 121.612 121.612 123.110 -1.498 17850 9841 1 12 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.984 -0.075 17850 9842 1 12 . 1 1 71 71 ALA C C 71 179.804 179.804 179.546 0.258 17850 9843 1 12 . 1 1 71 71 ALA CA C 71 55.116 55.116 55.031 0.085 17850 9844 1 12 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.693 -0.931 17850 9845 1 12 . 1 1 71 71 ALA H H 71 7.365 7.365 7.727 -0.362 17850 9846 1 12 . 1 1 72 72 LEU N N 72 118.944 118.944 119.676 -0.732 17850 9847 1 12 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.897 0.067 17850 9848 1 12 . 1 1 72 72 LEU C C 72 178.415 178.415 179.266 -0.851 17850 9849 1 12 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.812 0.005 17850 9850 1 12 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.508 -0.040 17850 9851 1 12 . 1 1 72 72 LEU H H 72 7.142 7.142 7.829 -0.687 17850 9852 1 12 . 1 1 73 73 MET N N 73 114.500 114.500 117.365 -2.865 17850 9853 1 12 . 1 1 73 73 MET HA H 73 3.978 3.978 4.370 -0.392 17850 9854 1 12 . 1 1 73 73 MET C C 73 178.283 178.283 177.073 1.210 17850 9855 1 12 . 1 1 73 73 MET CA C 73 55.701 55.701 57.841 -2.140 17850 9856 1 12 . 1 1 73 73 MET CB C 73 30.742 30.742 32.418 -1.676 17850 9857 1 12 . 1 1 73 73 MET H H 73 7.726 7.726 7.860 -0.134 17850 9858 1 12 . 1 1 74 74 SER N N 74 112.626 112.626 115.255 -2.629 17850 9859 1 12 . 1 1 74 74 SER HA H 74 4.287 4.287 4.621 -0.334 17850 9860 1 12 . 1 1 74 74 SER C C 74 174.717 174.717 173.820 0.897 17850 9861 1 12 . 1 1 74 74 SER CA C 74 59.582 59.582 57.652 1.930 17850 9862 1 12 . 1 1 74 74 SER CB C 74 63.746 63.746 62.843 0.903 17850 9863 1 12 . 1 1 74 74 SER H H 74 7.857 7.857 7.807 0.050 17850 9864 1 12 . 1 1 75 75 ARG N N 75 122.130 122.130 118.590 3.540 17850 9865 1 12 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.501 -0.354 17850 9866 1 12 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.398 2.377 17850 9867 1 12 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.876 -2.210 17850 9868 1 12 . 1 1 75 75 ARG H H 75 7.208 7.208 7.564 -0.356 17850 9869 1 12 . 1 1 76 76 GLN N N 76 121.749 121.749 113.351 8.398 17850 9870 1 12 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.983 -0.699 17850 9871 1 12 . 1 1 76 76 GLN CA C 76 56.193 56.193 54.328 1.865 17850 9872 1 12 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.358 -1.301 17850 9873 1 12 . 1 1 76 76 GLN H H 76 8.327 8.327 7.533 0.794 17850 9874 1 12 . 1 1 77 77 LEU N N 77 124.093 124.093 119.850 4.243 17850 9875 1 12 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.534 -0.095 17850 9876 1 12 . 1 1 77 77 LEU C C 77 177.670 177.670 176.633 1.037 17850 9877 1 12 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.225 0.058 17850 9878 1 12 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.462 -0.682 17850 9879 1 12 . 1 1 77 77 LEU H H 77 8.264 8.264 8.406 -0.142 17850 9880 1 12 . 1 1 78 78 LYS N N 78 121.053 121.053 118.389 2.664 17850 9881 1 12 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.537 -0.130 17850 9882 1 12 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.349 -1.164 17850 9883 1 12 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.427 -0.150 17850 9884 1 12 . 1 1 78 78 LYS H H 78 8.433 8.433 8.149 0.284 17850 9885 1 12 . 1 1 79 79 SER N N 79 116.423 116.423 116.534 -0.111 17850 9886 1 12 . 1 1 79 79 SER HA H 79 4.321 4.321 4.397 -0.076 17850 9887 1 12 . 1 1 79 79 SER C C 79 175.145 175.145 174.782 0.363 17850 9888 1 12 . 1 1 79 79 SER CA C 79 59.795 59.795 59.406 0.389 17850 9889 1 12 . 1 1 79 79 SER CB C 79 63.226 63.226 62.865 0.361 17850 9890 1 12 . 1 1 79 79 SER H H 79 8.448 8.448 8.449 -0.001 17850 9891 1 12 . 1 1 80 80 ASN N N 80 119.581 119.581 120.018 -0.437 17850 9892 1 12 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.390 0.309 17850 9893 1 12 . 1 1 80 80 ASN C C 80 175.726 175.726 177.085 -1.359 17850 9894 1 12 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.883 -2.470 17850 9895 1 12 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.071 0.517 17850 9896 1 12 . 1 1 80 80 ASN H H 80 8.513 8.513 8.685 -0.172 17850 9897 1 12 . 1 1 81 81 ASP N N 81 120.378 120.378 119.561 0.817 17850 9898 1 12 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.133 0.497 17850 9899 1 12 . 1 1 81 81 ASP C C 81 177.281 177.281 178.310 -1.029 17850 9900 1 12 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.639 -2.046 17850 9901 1 12 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.724 0.882 17850 9902 1 12 . 1 1 81 81 ASP H H 81 7.957 7.957 8.212 -0.255 17850 9903 1 12 . 1 1 82 82 SER N N 82 117.046 117.046 115.963 1.083 17850 9904 1 12 . 1 1 82 82 SER HA H 82 4.194 4.194 3.964 0.230 17850 9905 1 12 . 1 1 82 82 SER C C 82 176.745 176.745 176.807 -0.062 17850 9906 1 12 . 1 1 82 82 SER CA C 82 61.376 61.376 61.541 -0.165 17850 9907 1 12 . 1 1 82 82 SER CB C 82 62.896 62.896 62.842 0.054 17850 9908 1 12 . 1 1 82 82 SER H H 82 8.469 8.469 8.142 0.327 17850 9909 1 12 . 1 1 83 83 GLU N N 83 122.405 122.405 119.204 3.201 17850 9910 1 12 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.073 0.027 17850 9911 1 12 . 1 1 83 83 GLU C C 83 178.740 178.740 178.876 -0.136 17850 9912 1 12 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.621 -0.156 17850 9913 1 12 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.430 -0.027 17850 9914 1 12 . 1 1 83 83 GLU H H 83 8.357 8.357 8.206 0.151 17850 9915 1 12 . 1 1 84 84 GLN N N 84 118.604 118.604 119.665 -1.061 17850 9916 1 12 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.154 -0.045 17850 9917 1 12 . 1 1 84 84 GLN C C 84 178.533 178.533 178.532 0.001 17850 9918 1 12 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.295 0.172 17850 9919 1 12 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.229 0.192 17850 9920 1 12 . 1 1 84 84 GLN H H 84 7.988 7.988 8.045 -0.057 17850 9921 1 12 . 1 1 85 85 GLU N N 85 119.418 119.418 120.855 -1.437 17850 9922 1 12 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.288 -0.346 17850 9923 1 12 . 1 1 85 85 GLU C C 85 178.250 178.250 178.994 -0.744 17850 9924 1 12 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.697 0.427 17850 9925 1 12 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.360 0.212 17850 9926 1 12 . 1 1 85 85 GLU H H 85 8.228 8.228 8.535 -0.307 17850 9927 1 12 . 1 1 86 86 LEU N N 86 120.010 120.010 117.481 2.529 17850 9928 1 12 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.162 -0.003 17850 9929 1 12 . 1 1 86 86 LEU C C 86 178.534 178.534 179.131 -0.597 17850 9930 1 12 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.770 -0.563 17850 9931 1 12 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.121 0.505 17850 9932 1 12 . 1 1 86 86 LEU H H 86 7.797 7.797 8.578 -0.781 17850 9933 1 12 . 1 1 87 87 LEU N N 87 119.111 119.111 120.982 -1.871 17850 9934 1 12 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.014 0.090 17850 9935 1 12 . 1 1 87 87 LEU C C 87 179.333 179.333 179.300 0.033 17850 9936 1 12 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.404 -0.161 17850 9937 1 12 . 1 1 87 87 LEU CB C 87 41.766 41.766 42.019 -0.253 17850 9938 1 12 . 1 1 87 87 LEU H H 87 7.825 7.825 8.300 -0.475 17850 9939 1 12 . 1 1 88 88 GLU N N 88 117.514 117.514 119.101 -1.587 17850 9940 1 12 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.426 -0.325 17850 9941 1 12 . 1 1 88 88 GLU C C 88 179.461 179.461 178.838 0.623 17850 9942 1 12 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.190 -0.174 17850 9943 1 12 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.382 -0.712 17850 9944 1 12 . 1 1 88 88 GLU H H 88 8.265 8.265 8.761 -0.496 17850 9945 1 12 . 1 1 89 89 ALA N N 89 120.734 120.734 124.013 -3.279 17850 9946 1 12 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.220 0.947 17850 9947 1 12 . 1 1 89 89 ALA C C 89 178.362 178.362 178.314 0.048 17850 9948 1 12 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.219 0.858 17850 9949 1 12 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.267 -1.284 17850 9950 1 12 . 1 1 89 89 ALA H H 89 8.192 8.192 8.501 -0.309 17850 9951 1 12 . 1 1 90 90 PHE N N 90 119.339 119.339 118.373 0.966 17850 9952 1 12 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.962 -0.763 17850 9953 1 12 . 1 1 90 90 PHE C C 90 177.497 177.497 177.369 0.128 17850 9954 1 12 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.700 1.485 17850 9955 1 12 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.534 1.286 17850 9956 1 12 . 1 1 90 90 PHE H H 90 8.685 8.685 8.359 0.326 17850 9957 1 12 . 1 1 91 91 LYS N N 91 116.189 116.189 119.396 -3.207 17850 9958 1 12 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.004 -0.056 17850 9959 1 12 . 1 1 91 91 LYS C C 91 178.236 178.236 177.739 0.497 17850 9960 1 12 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.885 -0.371 17850 9961 1 12 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.720 0.151 17850 9962 1 12 . 1 1 91 91 LYS H H 91 8.112 8.112 8.023 0.089 17850 9963 1 12 . 1 1 92 92 VAL N N 92 117.696 117.696 116.888 0.808 17850 9964 1 12 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.874 -0.302 17850 9965 1 12 . 1 1 92 92 VAL C C 92 176.545 176.545 176.605 -0.060 17850 9966 1 12 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.839 0.733 17850 9967 1 12 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.181 -0.755 17850 9968 1 12 . 1 1 92 92 VAL H H 92 7.383 7.383 7.424 -0.041 17850 9969 1 12 . 1 1 93 93 PHE N N 93 114.826 114.826 117.793 -2.967 17850 9970 1 12 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.581 -0.354 17850 9971 1 12 . 1 1 93 93 PHE C C 93 176.417 176.417 175.759 0.658 17850 9972 1 12 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.767 0.834 17850 9973 1 12 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.816 2.380 17850 9974 1 12 . 1 1 93 93 PHE H H 93 7.116 7.116 7.609 -0.493 17850 9975 1 12 . 1 1 94 94 ASP N N 94 116.753 116.753 124.673 -7.920 17850 9976 1 12 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.472 0.059 17850 9977 1 12 . 1 1 94 94 ASP C C 94 177.305 177.305 177.104 0.201 17850 9978 1 12 . 1 1 94 94 ASP CA C 94 52.471 52.471 54.811 -2.340 17850 9979 1 12 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.556 -1.715 17850 9980 1 12 . 1 1 94 94 ASP H H 94 7.849 7.849 8.363 -0.514 17850 9981 1 12 . 1 1 95 95 LYS N N 95 125.185 125.185 119.673 5.512 17850 9982 1 12 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.102 -0.099 17850 9983 1 12 . 1 1 95 95 LYS C C 95 178.261 178.261 177.005 1.256 17850 9984 1 12 . 1 1 95 95 LYS CA C 95 58.077 58.077 57.155 0.922 17850 9985 1 12 . 1 1 95 95 LYS CB C 95 32.190 32.190 34.129 -1.939 17850 9986 1 12 . 1 1 95 95 LYS H H 95 7.755 7.755 7.636 0.119 17850 9987 1 12 . 1 1 96 96 ASN N N 96 112.542 112.542 119.585 -7.043 17850 9988 1 12 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.335 0.450 17850 9989 1 12 . 1 1 96 96 ASN C C 96 176.469 176.469 174.630 1.839 17850 9990 1 12 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.076 -1.214 17850 9991 1 12 . 1 1 96 96 ASN H H 96 8.069 8.069 7.987 0.082 17850 9992 1 12 . 1 1 97 97 GLY N N 97 109.956 109.956 110.762 -0.806 17850 9993 1 12 . 1 1 97 97 GLY C C 97 175.032 175.032 175.871 -0.839 17850 9994 1 12 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.254 3.454 17850 9995 1 12 . 1 1 97 97 GLY H H 97 7.686 7.686 8.832 -1.146 17850 9996 1 12 . 1 1 98 98 ASP N N 98 119.383 119.383 120.426 -1.043 17850 9997 1 12 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.339 0.214 17850 9998 1 12 . 1 1 98 98 ASP C C 98 177.274 177.274 174.583 2.691 17850 9999 1 12 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.688 -1.354 17850 10000 1 12 . 1 1 98 98 ASP H H 98 8.249 8.249 8.064 0.185 17850 10001 1 12 . 1 1 99 99 GLY N N 99 112.398 112.398 105.357 7.041 17850 10002 1 12 . 1 1 99 99 GLY C C 99 173.128 173.128 174.021 -0.893 17850 10003 1 12 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.904 1.825 17850 10004 1 12 . 1 1 99 99 GLY H H 99 10.390 10.390 8.103 2.287 17850 10005 1 12 . 1 1 100 100 LEU N N 100 120.803 120.803 125.127 -4.324 17850 10006 1 12 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.391 0.874 17850 10007 1 12 . 1 1 100 100 LEU C C 100 176.427 176.427 177.153 -0.726 17850 10008 1 12 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.296 -2.520 17850 10009 1 12 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.086 5.115 17850 10010 1 12 . 1 1 100 100 LEU H H 100 7.987 7.987 8.900 -0.913 17850 10011 1 12 . 1 1 101 101 ILE N N 101 125.286 125.286 128.440 -3.154 17850 10012 1 12 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.059 0.663 17850 10013 1 12 . 1 1 101 101 ILE C C 101 175.432 175.432 177.358 -1.926 17850 10014 1 12 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.897 -0.647 17850 10015 1 12 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.538 -0.474 17850 10016 1 12 . 1 1 101 101 ILE H H 101 9.698 9.698 8.463 1.235 17850 10017 1 12 . 1 1 102 102 SER N N 102 123.133 123.133 117.664 5.469 17850 10018 1 12 . 1 1 102 102 SER HA H 102 4.969 4.969 4.110 0.859 17850 10019 1 12 . 1 1 102 102 SER C C 102 175.298 175.298 176.292 -0.994 17850 10020 1 12 . 1 1 102 102 SER CA C 102 55.994 55.994 61.826 -5.832 17850 10021 1 12 . 1 1 102 102 SER CB C 102 66.456 66.456 62.611 3.845 17850 10022 1 12 . 1 1 102 102 SER H H 102 9.095 9.095 9.041 0.054 17850 10023 1 12 . 1 1 103 103 ALA N N 103 122.886 122.886 122.280 0.606 17850 10024 1 12 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.796 0.093 17850 10025 1 12 . 1 1 103 103 ALA C C 103 179.237 179.237 179.607 -0.370 17850 10026 1 12 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.394 0.688 17850 10027 1 12 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.833 0.224 17850 10028 1 12 . 1 1 103 103 ALA H H 103 8.691 8.691 8.641 0.050 17850 10029 1 12 . 1 1 104 104 ALA N N 104 118.317 118.317 119.232 -0.915 17850 10030 1 12 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.664 0.410 17850 10031 1 12 . 1 1 104 104 ALA C C 104 181.451 181.451 178.766 2.685 17850 10032 1 12 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.568 0.717 17850 10033 1 12 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.322 0.113 17850 10034 1 12 . 1 1 104 104 ALA H H 104 8.392 8.392 8.241 0.151 17850 10035 1 12 . 1 1 105 105 GLU N N 105 120.398 120.398 118.692 1.706 17850 10036 1 12 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.763 -0.703 17850 10037 1 12 . 1 1 105 105 GLU C C 105 179.223 179.223 177.699 1.524 17850 10038 1 12 . 1 1 105 105 GLU CA C 105 59.463 59.463 58.285 1.178 17850 10039 1 12 . 1 1 105 105 GLU CB C 105 29.151 29.151 29.982 -0.831 17850 10040 1 12 . 1 1 105 105 GLU H H 105 7.879 7.879 8.207 -0.328 17850 10041 1 12 . 1 1 106 106 LEU N N 106 120.023 120.023 119.963 0.060 17850 10042 1 12 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.955 0.208 17850 10043 1 12 . 1 1 106 106 LEU C C 106 178.503 178.503 178.872 -0.369 17850 10044 1 12 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.422 0.266 17850 10045 1 12 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.927 1.360 17850 10046 1 12 . 1 1 106 106 LEU H H 106 8.479 8.479 8.760 -0.281 17850 10047 1 12 . 1 1 107 107 LYS N N 107 117.064 117.064 120.407 -3.343 17850 10048 1 12 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.916 -0.098 17850 10049 1 12 . 1 1 107 107 LYS C C 107 179.039 179.039 178.785 0.254 17850 10050 1 12 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.200 1.108 17850 10051 1 12 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.180 0.710 17850 10052 1 12 . 1 1 107 107 LYS H H 107 8.758 8.758 8.558 0.200 17850 10053 1 12 . 1 1 108 108 HIS N N 108 119.125 119.125 118.515 0.610 17850 10054 1 12 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.694 0.622 17850 10055 1 12 . 1 1 108 108 HIS C C 108 178.394 178.394 177.115 1.279 17850 10056 1 12 . 1 1 108 108 HIS CA C 108 60.187 60.187 58.847 1.340 17850 10057 1 12 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.910 1.582 17850 10058 1 12 . 1 1 108 108 HIS H H 108 8.287 8.287 7.834 0.453 17850 10059 1 12 . 1 1 109 109 VAL N N 109 119.525 119.525 118.959 0.566 17850 10060 1 12 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.793 -0.308 17850 10061 1 12 . 1 1 109 109 VAL C C 109 178.246 178.246 178.277 -0.031 17850 10062 1 12 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.426 1.284 17850 10063 1 12 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.775 0.797 17850 10064 1 12 . 1 1 109 109 VAL H H 109 7.915 7.915 8.361 -0.446 17850 10065 1 12 . 1 1 110 110 LEU N N 110 117.403 117.403 119.196 -1.793 17850 10066 1 12 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.569 -0.590 17850 10067 1 12 . 1 1 110 110 LEU C C 110 178.968 178.968 177.640 1.328 17850 10068 1 12 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.475 0.743 17850 10069 1 12 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.906 -1.378 17850 10070 1 12 . 1 1 110 110 LEU H H 110 8.269 8.269 8.238 0.031 17850 10071 1 12 . 1 1 111 111 THR N N 111 114.122 114.122 114.493 -0.371 17850 10072 1 12 . 1 1 111 111 THR HA H 111 4.184 4.184 4.144 0.040 17850 10073 1 12 . 1 1 111 111 THR C C 111 178.534 178.534 174.361 4.173 17850 10074 1 12 . 1 1 111 111 THR CA C 111 66.252 66.252 63.254 2.998 17850 10075 1 12 . 1 1 111 111 THR CB C 111 68.851 68.851 68.438 0.413 17850 10076 1 12 . 1 1 111 111 THR H H 111 8.441 8.441 7.353 1.088 17850 10077 1 12 . 1 1 112 112 SER N N 112 119.981 119.981 106.441 13.540 17850 10078 1 12 . 1 1 112 112 SER HA H 112 4.215 4.215 4.723 -0.508 17850 10079 1 12 . 1 1 112 112 SER C C 112 175.523 175.523 174.750 0.773 17850 10080 1 12 . 1 1 112 112 SER CA C 112 62.197 62.197 58.420 3.777 17850 10081 1 12 . 1 1 112 112 SER CB C 112 62.936 62.936 65.051 -2.115 17850 10082 1 12 . 1 1 112 112 SER H H 112 7.910 7.910 7.127 0.783 17850 10083 1 12 . 1 1 113 113 ILE N N 113 112.726 112.726 119.382 -6.656 17850 10084 1 12 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.807 0.677 17850 10085 1 12 . 1 1 113 113 ILE C C 113 175.636 175.636 175.224 0.412 17850 10086 1 12 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.303 -0.548 17850 10087 1 12 . 1 1 113 113 ILE H H 113 7.473 7.473 7.296 0.177 17850 10088 1 12 . 1 1 114 114 GLY N N 114 108.354 108.354 111.197 -2.843 17850 10089 1 12 . 1 1 114 114 GLY C C 114 174.583 174.583 173.605 0.978 17850 10090 1 12 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.594 0.256 17850 10091 1 12 . 1 1 114 114 GLY H H 114 7.652 7.652 8.183 -0.531 17850 10092 1 12 . 1 1 115 115 GLU N N 115 120.283 120.283 119.410 0.873 17850 10093 1 12 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.674 -0.369 17850 10094 1 12 . 1 1 115 115 GLU C C 115 175.444 175.444 175.437 0.007 17850 10095 1 12 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.637 -0.505 17850 10096 1 12 . 1 1 115 115 GLU CB C 115 30.250 30.250 31.458 -1.208 17850 10097 1 12 . 1 1 115 115 GLU H H 115 8.045 8.045 8.403 -0.358 17850 10098 1 12 . 1 1 116 116 LYS N N 116 124.370 124.370 123.758 0.612 17850 10099 1 12 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.580 -0.158 17850 10100 1 12 . 1 1 116 116 LYS C C 116 175.287 175.287 176.227 -0.940 17850 10101 1 12 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.194 0.441 17850 10102 1 12 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.629 -3.487 17850 10103 1 12 . 1 1 116 116 LYS H H 116 8.571 8.571 8.180 0.391 17850 10104 1 12 . 1 1 117 117 LEU N N 117 125.492 125.492 120.885 4.607 17850 10105 1 12 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.243 0.541 17850 10106 1 12 . 1 1 117 117 LEU C C 117 177.161 177.161 177.764 -0.603 17850 10107 1 12 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.992 0.242 17850 10108 1 12 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.468 1.530 17850 10109 1 12 . 1 1 117 117 LEU H H 117 8.042 8.042 8.255 -0.213 17850 10110 1 12 . 1 1 118 118 THR N N 118 113.255 113.255 118.090 -4.835 17850 10111 1 12 . 1 1 118 118 THR HA H 118 4.497 4.497 3.974 0.523 17850 10112 1 12 . 1 1 118 118 THR C C 118 175.335 175.335 176.288 -0.953 17850 10113 1 12 . 1 1 118 118 THR CA C 118 60.434 60.434 65.638 -5.205 17850 10114 1 12 . 1 1 118 118 THR CB C 118 71.193 71.193 68.657 2.536 17850 10115 1 12 . 1 1 118 118 THR H H 118 8.995 8.995 8.762 0.233 17850 10116 1 12 . 1 1 119 119 ASP N N 119 120.837 120.837 118.839 1.998 17850 10117 1 12 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.481 -0.249 17850 10118 1 12 . 1 1 119 119 ASP C C 119 178.422 178.422 178.286 0.136 17850 10119 1 12 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.462 1.635 17850 10120 1 12 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.575 -0.600 17850 10121 1 12 . 1 1 119 119 ASP H H 119 8.743 8.743 8.304 0.439 17850 10122 1 12 . 1 1 120 120 ALA N N 120 121.309 121.309 122.164 -0.855 17850 10123 1 12 . 1 1 120 120 ALA HA H 120 4.166 4.166 3.992 0.174 17850 10124 1 12 . 1 1 120 120 ALA C C 120 179.796 179.796 180.129 -0.333 17850 10125 1 12 . 1 1 120 120 ALA CA C 120 55.028 55.028 55.163 -0.135 17850 10126 1 12 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.924 -0.604 17850 10127 1 12 . 1 1 120 120 ALA H H 120 8.304 8.304 7.874 0.430 17850 10128 1 12 . 1 1 121 121 GLU N N 121 118.068 118.068 120.498 -2.430 17850 10129 1 12 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.972 0.085 17850 10130 1 12 . 1 1 121 121 GLU C C 121 180.035 180.035 177.220 2.815 17850 10131 1 12 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.514 -1.276 17850 10132 1 12 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.901 0.527 17850 10133 1 12 . 1 1 121 121 GLU H H 121 7.705 7.705 8.722 -1.017 17850 10134 1 12 . 1 1 122 122 VAL N N 122 120.636 120.636 118.609 2.027 17850 10135 1 12 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.769 -0.232 17850 10136 1 12 . 1 1 122 122 VAL C C 122 177.120 177.120 177.624 -0.504 17850 10137 1 12 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.706 1.336 17850 10138 1 12 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.617 -0.225 17850 10139 1 12 . 1 1 122 122 VAL H H 122 7.935 7.935 7.820 0.115 17850 10140 1 12 . 1 1 123 123 ASP N N 123 120.336 120.336 118.613 1.723 17850 10141 1 12 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.551 -0.248 17850 10142 1 12 . 1 1 123 123 ASP C C 123 179.023 179.023 177.972 1.051 17850 10143 1 12 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.268 1.675 17850 10144 1 12 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.382 -0.711 17850 10145 1 12 . 1 1 123 123 ASP H H 123 8.204 8.204 7.905 0.299 17850 10146 1 12 . 1 1 124 124 ASP N N 124 118.890 118.890 121.006 -2.116 17850 10147 1 12 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.295 0.045 17850 10148 1 12 . 1 1 124 124 ASP C C 124 178.527 178.527 177.728 0.799 17850 10149 1 12 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.276 0.247 17850 10150 1 12 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.917 -0.097 17850 10151 1 12 . 1 1 124 124 ASP H H 124 8.272 8.272 7.814 0.458 17850 10152 1 12 . 1 1 125 125 MET N N 125 119.365 119.365 115.952 3.413 17850 10153 1 12 . 1 1 125 125 MET HA H 125 4.091 4.091 4.191 -0.100 17850 10154 1 12 . 1 1 125 125 MET C C 125 178.021 178.021 178.124 -0.103 17850 10155 1 12 . 1 1 125 125 MET CA C 125 59.205 59.205 58.051 1.154 17850 10156 1 12 . 1 1 125 125 MET CB C 125 33.281 33.281 32.104 1.177 17850 10157 1 12 . 1 1 125 125 MET H H 125 7.750 7.750 8.386 -0.636 17850 10158 1 12 . 1 1 126 126 LEU N N 126 117.193 117.193 119.313 -2.120 17850 10159 1 12 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.918 0.006 17850 10160 1 12 . 1 1 126 126 LEU C C 126 180.267 180.267 179.617 0.650 17850 10161 1 12 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.775 0.027 17850 10162 1 12 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.353 0.260 17850 10163 1 12 . 1 1 126 126 LEU H H 126 8.152 8.152 7.689 0.463 17850 10164 1 12 . 1 1 127 127 ARG N N 127 120.792 120.792 118.028 2.764 17850 10165 1 12 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.053 -0.012 17850 10166 1 12 . 1 1 127 127 ARG C C 127 178.027 178.027 178.344 -0.317 17850 10167 1 12 . 1 1 127 127 ARG CA C 127 59.281 59.281 59.059 0.222 17850 10168 1 12 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.328 -0.329 17850 10169 1 12 . 1 1 127 127 ARG H H 127 8.335 8.335 7.609 0.726 17850 10170 1 12 . 1 1 128 128 GLU N N 128 117.142 117.142 110.973 6.169 17850 10171 1 12 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.638 -0.532 17850 10172 1 12 . 1 1 128 128 GLU C C 128 178.618 178.618 176.593 2.025 17850 10173 1 12 . 1 1 128 128 GLU CA C 128 59.205 59.205 56.593 2.612 17850 10174 1 12 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.361 0.032 17850 10175 1 12 . 1 1 128 128 GLU H H 128 7.667 7.667 8.535 -0.868 17850 10176 1 12 . 1 1 129 129 VAL N N 129 108.345 108.345 121.067 -12.722 17850 10177 1 12 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.072 0.415 17850 10178 1 12 . 1 1 129 129 VAL C C 129 175.591 175.591 177.026 -1.435 17850 10179 1 12 . 1 1 129 129 VAL CA C 129 61.663 61.663 64.191 -2.528 17850 10180 1 12 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.791 0.218 17850 10181 1 12 . 1 1 129 129 VAL H H 129 7.470 7.470 7.917 -0.447 17850 10182 1 12 . 1 1 130 130 SER N N 130 115.012 115.012 116.551 -1.539 17850 10183 1 12 . 1 1 130 130 SER HA H 130 4.670 4.670 4.189 0.481 17850 10184 1 12 . 1 1 130 130 SER C C 130 174.414 174.414 174.163 0.251 17850 10185 1 12 . 1 1 130 130 SER CA C 130 58.067 58.067 59.622 -1.555 17850 10186 1 12 . 1 1 130 130 SER CB C 130 65.814 65.814 61.897 3.917 17850 10187 1 12 . 1 1 130 130 SER H H 130 7.858 7.858 7.999 -0.141 17850 10188 1 12 . 1 1 131 131 ASP N N 131 120.972 120.972 115.808 5.164 17850 10189 1 12 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.282 0.284 17850 10190 1 12 . 1 1 131 131 ASP C C 131 176.676 176.676 175.841 0.835 17850 10191 1 12 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.165 0.618 17850 10192 1 12 . 1 1 131 131 ASP H H 131 8.478 8.478 7.841 0.637 17850 10193 1 12 . 1 1 132 132 GLY N N 132 105.512 105.512 110.533 -5.021 17850 10194 1 12 . 1 1 132 132 GLY C C 132 174.924 174.924 175.474 -0.550 17850 10195 1 12 . 1 1 132 132 GLY CA C 132 45.670 45.670 47.494 -1.824 17850 10196 1 12 . 1 1 132 132 GLY H H 132 8.352 8.352 8.203 0.149 17850 10197 1 12 . 1 1 133 133 SER N N 133 116.718 116.718 113.407 3.311 17850 10198 1 12 . 1 1 133 133 SER HA H 133 4.435 4.435 4.479 -0.044 17850 10199 1 12 . 1 1 133 133 SER C C 133 175.404 175.404 172.766 2.638 17850 10200 1 12 . 1 1 133 133 SER CA C 133 59.340 59.340 57.910 1.430 17850 10201 1 12 . 1 1 133 133 SER H H 133 8.104 8.104 8.351 -0.247 17850 10202 1 12 . 1 1 134 134 GLY N N 134 109.601 109.601 107.781 1.820 17850 10203 1 12 . 1 1 134 134 GLY C C 134 172.547 172.547 172.572 -0.025 17850 10204 1 12 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.118 2.705 17850 10205 1 12 . 1 1 134 134 GLY H H 134 8.555 8.555 7.510 1.045 17850 10206 1 12 . 1 1 135 135 GLU N N 135 117.166 117.166 114.309 2.857 17850 10207 1 12 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.855 0.172 17850 10208 1 12 . 1 1 135 135 GLU C C 135 175.280 175.280 174.616 0.664 17850 10209 1 12 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.662 0.073 17850 10210 1 12 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.295 0.579 17850 10211 1 12 . 1 1 135 135 GLU H H 135 7.641 7.641 8.009 -0.368 17850 10212 1 12 . 1 1 136 136 ILE N N 136 114.256 114.256 126.231 -11.975 17850 10213 1 12 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.893 0.183 17850 10214 1 12 . 1 1 136 136 ILE C C 136 175.228 175.228 177.178 -1.950 17850 10215 1 12 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.732 -0.334 17850 10216 1 12 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.190 2.462 17850 10217 1 12 . 1 1 136 136 ILE H H 136 8.565 8.565 8.375 0.190 17850 10218 1 12 . 1 1 137 137 ASN N N 137 121.842 121.842 118.145 3.697 17850 10219 1 12 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.491 1.774 17850 10220 1 12 . 1 1 137 137 ASN C C 137 176.835 176.835 176.048 0.787 17850 10221 1 12 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.317 -3.290 17850 10222 1 12 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.513 2.200 17850 10223 1 12 . 1 1 137 137 ASN H H 137 8.767 8.767 8.571 0.196 17850 10224 1 12 . 1 1 138 138 ILE N N 138 118.075 118.075 118.074 0.001 17850 10225 1 12 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.931 -0.179 17850 10226 1 12 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.042 0.730 17850 10227 1 12 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.983 0.570 17850 10228 1 12 . 1 1 138 138 ILE H H 138 8.418 8.418 8.349 0.069 17850 10229 1 12 . 1 1 139 139 GLN N N 139 122.926 122.926 119.874 3.052 17850 10230 1 12 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.037 0.089 17850 10231 1 12 . 1 1 139 139 GLN C C 139 179.886 179.886 178.863 1.023 17850 10232 1 12 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.755 0.831 17850 10233 1 12 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.418 -0.633 17850 10234 1 12 . 1 1 139 139 GLN H H 139 7.632 7.632 7.983 -0.351 17850 10235 1 12 . 1 1 140 140 GLN N N 140 121.813 121.813 120.790 1.023 17850 10236 1 12 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.831 0.330 17850 10237 1 12 . 1 1 140 140 GLN C C 140 178.284 178.284 177.360 0.924 17850 10238 1 12 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.861 -0.645 17850 10239 1 12 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.463 -0.025 17850 10240 1 12 . 1 1 140 140 GLN H H 140 8.416 8.416 8.931 -0.515 17850 10241 1 12 . 1 1 141 141 PHE N N 141 121.732 121.732 117.860 3.872 17850 10242 1 12 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.717 0.435 17850 10243 1 12 . 1 1 141 141 PHE C C 141 176.273 176.273 176.305 -0.032 17850 10244 1 12 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.239 0.721 17850 10245 1 12 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.000 2.061 17850 10246 1 12 . 1 1 141 141 PHE H H 141 9.030 9.030 8.222 0.808 17850 10247 1 12 . 1 1 142 142 ALA N N 142 119.852 119.852 120.894 -1.042 17850 10248 1 12 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.974 -0.171 17850 10249 1 12 . 1 1 142 142 ALA C C 142 180.733 180.733 179.000 1.733 17850 10250 1 12 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.309 0.901 17850 10251 1 12 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.230 -0.327 17850 10252 1 12 . 1 1 142 142 ALA H H 142 8.399 8.399 7.928 0.471 17850 10253 1 12 . 1 1 143 143 ALA N N 143 120.555 120.555 119.636 0.919 17850 10254 1 12 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.819 0.295 17850 10255 1 12 . 1 1 143 143 ALA C C 143 180.455 180.455 179.483 0.972 17850 10256 1 12 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.422 -0.409 17850 10257 1 12 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.072 -1.223 17850 10258 1 12 . 1 1 143 143 ALA H H 143 7.627 7.627 7.255 0.372 17850 10259 1 12 . 1 1 144 144 LEU N N 144 121.054 121.054 115.163 5.891 17850 10260 1 12 . 1 1 144 144 LEU HA H 144 3.933 3.933 3.906 0.027 17850 10261 1 12 . 1 1 144 144 LEU C C 144 177.756 177.756 177.789 -0.033 17850 10262 1 12 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.792 0.904 17850 10263 1 12 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.046 0.792 17850 10264 1 12 . 1 1 144 144 LEU H H 144 8.029 8.029 7.324 0.705 17850 10265 1 12 . 1 1 145 145 LEU N N 145 115.288 115.288 117.943 -2.655 17850 10266 1 12 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.454 -0.481 17850 10267 1 12 . 1 1 145 145 LEU C C 145 177.284 177.284 175.655 1.629 17850 10268 1 12 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.345 0.939 17850 10269 1 12 . 1 1 145 145 LEU CB C 145 41.610 41.610 41.707 -0.097 17850 10270 1 12 . 1 1 145 145 LEU H H 145 7.309 7.309 7.692 -0.383 17850 10271 1 12 . 1 1 146 146 SER N N 146 114.503 114.503 118.816 -4.313 17850 10272 1 12 . 1 1 146 146 SER HA H 146 4.346 4.346 4.606 -0.260 17850 10273 1 12 . 1 1 146 146 SER C C 146 175.125 175.125 172.951 2.174 17850 10274 1 12 . 1 1 146 146 SER CA C 146 59.046 59.046 56.771 2.275 17850 10275 1 12 . 1 1 146 146 SER CB C 146 64.181 64.181 63.342 0.839 17850 10276 1 12 . 1 1 146 146 SER H H 146 7.506 7.506 7.762 -0.256 17850 10277 1 12 . 1 1 147 147 LYS N N 147 123.315 123.315 121.652 1.663 17850 10278 1 12 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.475 -0.308 17850 10279 1 12 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.539 1.143 17850 10280 1 12 . 1 1 147 147 LYS H H 147 8.329 8.329 8.106 0.223 17850 10281 1 12 . 1 1 148 148 GLY N N 148 108.566 108.566 108.099 0.467 17850 10282 1 12 . 1 1 148 148 GLY C C 148 174.394 174.394 174.913 -0.519 17850 10283 1 12 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.551 -0.023 17850 10284 1 12 . 1 1 148 148 GLY H H 148 8.353 8.353 7.966 0.387 17850 10285 1 12 . 1 1 149 149 SER N N 149 115.356 115.356 118.527 -3.171 17850 10286 1 12 . 1 1 149 149 SER HA H 149 4.484 4.484 4.842 -0.358 17850 10287 1 12 . 1 1 149 149 SER C C 149 175.038 175.038 174.087 0.951 17850 10288 1 12 . 1 1 149 149 SER CA C 149 58.418 58.418 58.451 -0.033 17850 10289 1 12 . 1 1 149 149 SER CB C 149 64.171 64.171 63.659 0.512 17850 10290 1 12 . 1 1 149 149 SER H H 149 7.993 7.993 8.366 -0.373 17850 10291 1 12 . 1 1 150 150 SER N N 150 118.028 118.028 116.691 1.337 17850 10292 1 12 . 1 1 150 150 SER HA H 150 4.490 4.490 4.496 -0.006 17850 10293 1 12 . 1 1 150 150 SER C C 150 175.034 175.034 174.681 0.353 17850 10294 1 12 . 1 1 150 150 SER CA C 150 59.029 59.029 57.184 1.845 17850 10295 1 12 . 1 1 150 150 SER CB C 150 63.407 63.407 64.245 -0.838 17850 10296 1 12 . 1 1 150 150 SER H H 150 8.530 8.530 8.054 0.476 17850 10297 1 13 . 1 1 1 1 GLY N N 1 109.911 109.911 109.572 0.339 17850 10298 1 13 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.667 0.769 17850 10299 1 13 . 1 1 1 1 GLY H H 1 8.410 8.410 8.509 -0.099 17850 10300 1 13 . 1 1 2 2 SER N N 2 115.579 115.579 119.969 -4.390 17850 10301 1 13 . 1 1 2 2 SER HA H 2 4.474 4.474 4.594 -0.120 17850 10302 1 13 . 1 1 2 2 SER C C 2 174.661 174.661 173.650 1.011 17850 10303 1 13 . 1 1 2 2 SER CA C 2 58.374 58.374 57.620 0.754 17850 10304 1 13 . 1 1 2 2 SER CB C 2 63.986 63.986 64.702 -0.716 17850 10305 1 13 . 1 1 2 2 SER H H 2 8.207 8.207 8.183 0.024 17850 10306 1 13 . 1 1 3 3 SER N N 3 117.154 117.154 121.422 -4.268 17850 10307 1 13 . 1 1 3 3 SER HA H 3 4.439 4.439 4.803 -0.364 17850 10308 1 13 . 1 1 3 3 SER C C 3 174.122 174.122 173.017 1.105 17850 10309 1 13 . 1 1 3 3 SER CA C 3 58.695 58.695 58.375 0.320 17850 10310 1 13 . 1 1 3 3 SER CB C 3 63.865 63.865 64.119 -0.254 17850 10311 1 13 . 1 1 3 3 SER H H 3 8.337 8.337 8.589 -0.252 17850 10312 1 13 . 1 1 4 4 ASN N N 4 120.145 120.145 118.789 1.356 17850 10313 1 13 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.452 -0.726 17850 10314 1 13 . 1 1 4 4 ASN C C 4 174.741 174.741 174.647 0.094 17850 10315 1 13 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.051 1.274 17850 10316 1 13 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.700 -1.898 17850 10317 1 13 . 1 1 4 4 ASN H H 4 8.432 8.432 8.019 0.413 17850 10318 1 13 . 1 1 5 5 LEU N N 5 121.341 121.341 117.062 4.279 17850 10319 1 13 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.527 0.152 17850 10320 1 13 . 1 1 5 5 LEU C C 5 177.641 177.641 177.130 0.511 17850 10321 1 13 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.901 1.565 17850 10322 1 13 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.815 -1.101 17850 10323 1 13 . 1 1 5 5 LEU H H 5 7.966 7.966 8.128 -0.162 17850 10324 1 13 . 1 1 6 6 THR N N 6 113.168 113.168 115.811 -2.643 17850 10325 1 13 . 1 1 6 6 THR HA H 6 4.470 4.470 3.941 0.529 17850 10326 1 13 . 1 1 6 6 THR C C 6 175.390 175.390 175.842 -0.452 17850 10327 1 13 . 1 1 6 6 THR CA C 6 60.543 60.543 65.335 -4.792 17850 10328 1 13 . 1 1 6 6 THR CB C 6 71.190 71.190 68.460 2.730 17850 10329 1 13 . 1 1 6 6 THR H H 6 8.716 8.716 8.808 -0.092 17850 10330 1 13 . 1 1 7 7 GLU N N 7 120.480 120.480 118.584 1.896 17850 10331 1 13 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.202 -0.217 17850 10332 1 13 . 1 1 7 7 GLU C C 7 179.475 179.475 177.939 1.536 17850 10333 1 13 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.024 2.049 17850 10334 1 13 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.704 -0.412 17850 10335 1 13 . 1 1 7 7 GLU H H 7 8.997 8.997 7.743 1.254 17850 10336 1 13 . 1 1 8 8 GLU N N 8 119.766 119.766 117.072 2.694 17850 10337 1 13 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.549 -0.462 17850 10338 1 13 . 1 1 8 8 GLU C C 8 178.641 178.641 179.493 -0.852 17850 10339 1 13 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.422 1.413 17850 10340 1 13 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.272 -0.874 17850 10341 1 13 . 1 1 8 8 GLU H H 8 8.603 8.603 8.183 0.420 17850 10342 1 13 . 1 1 9 9 GLN N N 9 119.234 119.234 118.812 0.422 17850 10343 1 13 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.280 -0.351 17850 10344 1 13 . 1 1 9 9 GLN C C 9 178.969 178.969 177.797 1.172 17850 10345 1 13 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.380 2.338 17850 10346 1 13 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.261 3.321 17850 10347 1 13 . 1 1 9 9 GLN H H 9 7.730 7.730 8.488 -0.758 17850 10348 1 13 . 1 1 10 10 ILE N N 10 119.661 119.661 118.349 1.312 17850 10349 1 13 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.092 -0.329 17850 10350 1 13 . 1 1 10 10 ILE C C 10 178.040 178.040 177.192 0.848 17850 10351 1 13 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.225 2.996 17850 10352 1 13 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.474 0.478 17850 10353 1 13 . 1 1 10 10 ILE H H 10 8.398 8.398 8.025 0.373 17850 10354 1 13 . 1 1 11 11 ALA N N 11 121.678 121.678 122.846 -1.168 17850 10355 1 13 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.061 0.072 17850 10356 1 13 . 1 1 11 11 ALA C C 11 181.140 181.140 179.763 1.377 17850 10357 1 13 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.432 1.022 17850 10358 1 13 . 1 1 11 11 ALA CB C 11 17.912 17.912 19.052 -1.140 17850 10359 1 13 . 1 1 11 11 ALA H H 11 8.037 8.037 7.962 0.075 17850 10360 1 13 . 1 1 12 12 GLU N N 12 118.175 118.175 119.180 -1.005 17850 10361 1 13 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.340 -0.222 17850 10362 1 13 . 1 1 12 12 GLU C C 12 180.185 180.185 178.992 1.193 17850 10363 1 13 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.689 -0.494 17850 10364 1 13 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.956 0.423 17850 10365 1 13 . 1 1 12 12 GLU H H 12 7.869 7.869 7.745 0.124 17850 10366 1 13 . 1 1 13 13 PHE N N 13 119.011 119.011 119.193 -0.182 17850 10367 1 13 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.210 0.680 17850 10368 1 13 . 1 1 13 13 PHE C C 13 178.486 178.486 178.242 0.244 17850 10369 1 13 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.625 -1.176 17850 10370 1 13 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.429 0.470 17850 10371 1 13 . 1 1 13 13 PHE H H 13 8.429 8.429 7.822 0.607 17850 10372 1 13 . 1 1 14 14 LYS N N 14 123.459 123.459 117.809 5.650 17850 10373 1 13 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.094 -0.062 17850 10374 1 13 . 1 1 14 14 LYS C C 14 179.131 179.131 178.860 0.271 17850 10375 1 13 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.864 1.626 17850 10376 1 13 . 1 1 14 14 LYS CB C 14 31.913 31.913 31.753 0.160 17850 10377 1 13 . 1 1 14 14 LYS H H 14 8.925 8.925 8.584 0.341 17850 10378 1 13 . 1 1 15 15 GLU N N 15 119.581 119.581 117.653 1.928 17850 10379 1 13 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.416 -0.248 17850 10380 1 13 . 1 1 15 15 GLU C C 15 179.163 179.163 177.621 1.542 17850 10381 1 13 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.691 0.694 17850 10382 1 13 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.512 -0.125 17850 10383 1 13 . 1 1 15 15 GLU H H 15 8.064 8.064 8.336 -0.272 17850 10384 1 13 . 1 1 16 16 ALA N N 16 120.993 120.993 122.726 -1.733 17850 10385 1 13 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.299 0.943 17850 10386 1 13 . 1 1 16 16 ALA C C 16 177.628 177.628 178.222 -0.594 17850 10387 1 13 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.544 2.640 17850 10388 1 13 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.761 -1.837 17850 10389 1 13 . 1 1 16 16 ALA H H 16 7.801 7.801 8.044 -0.243 17850 10390 1 13 . 1 1 17 17 PHE N N 17 118.745 118.745 119.715 -0.970 17850 10391 1 13 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.480 -1.126 17850 10392 1 13 . 1 1 17 17 PHE C C 17 177.500 177.500 177.027 0.473 17850 10393 1 13 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.216 1.484 17850 10394 1 13 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.150 1.828 17850 10395 1 13 . 1 1 17 17 PHE H H 17 8.469 8.469 8.280 0.189 17850 10396 1 13 . 1 1 18 18 ALA N N 18 119.942 119.942 118.096 1.846 17850 10397 1 13 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.712 0.298 17850 10398 1 13 . 1 1 18 18 ALA C C 18 178.535 178.535 178.503 0.032 17850 10399 1 13 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.133 0.283 17850 10400 1 13 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.325 0.162 17850 10401 1 13 . 1 1 18 18 ALA H H 18 8.187 8.187 7.208 0.979 17850 10402 1 13 . 1 1 19 19 LEU N N 19 116.851 116.851 113.932 2.919 17850 10403 1 13 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.313 -0.353 17850 10404 1 13 . 1 1 19 19 LEU C C 19 176.795 176.795 177.339 -0.544 17850 10405 1 13 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.526 2.909 17850 10406 1 13 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.934 -1.252 17850 10407 1 13 . 1 1 19 19 LEU H H 19 7.254 7.254 7.238 0.016 17850 10408 1 13 . 1 1 20 20 PHE N N 20 111.977 111.977 120.938 -8.961 17850 10409 1 13 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.107 0.152 17850 10410 1 13 . 1 1 20 20 PHE C C 20 177.033 177.033 176.584 0.449 17850 10411 1 13 . 1 1 20 20 PHE CA C 20 58.656 58.656 58.872 -0.216 17850 10412 1 13 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.475 4.689 17850 10413 1 13 . 1 1 20 20 PHE H H 20 7.041 7.041 8.024 -0.983 17850 10414 1 13 . 1 1 21 21 ASP N N 21 116.981 116.981 124.396 -7.415 17850 10415 1 13 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.360 0.225 17850 10416 1 13 . 1 1 21 21 ASP C C 21 177.297 177.297 177.425 -0.128 17850 10417 1 13 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.096 -3.425 17850 10418 1 13 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.316 -1.313 17850 10419 1 13 . 1 1 21 21 ASP H H 21 7.567 7.567 8.220 -0.653 17850 10420 1 13 . 1 1 22 22 LYS N N 22 124.748 124.748 115.737 9.011 17850 10421 1 13 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.136 -0.144 17850 10422 1 13 . 1 1 22 22 LYS C C 22 177.866 177.866 176.208 1.658 17850 10423 1 13 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.604 1.629 17850 10424 1 13 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.361 0.266 17850 10425 1 13 . 1 1 22 22 LYS H H 22 7.820 7.820 8.214 -0.394 17850 10426 1 13 . 1 1 23 23 ASP N N 23 114.211 114.211 117.427 -3.216 17850 10427 1 13 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.384 0.219 17850 10428 1 13 . 1 1 23 23 ASP C C 23 176.266 176.266 175.597 0.669 17850 10429 1 13 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.165 -2.518 17850 10430 1 13 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.483 -0.200 17850 10431 1 13 . 1 1 23 23 ASP H H 23 8.025 8.025 8.310 -0.285 17850 10432 1 13 . 1 1 24 24 ASN N N 24 115.587 115.587 117.296 -1.709 17850 10433 1 13 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.746 -0.357 17850 10434 1 13 . 1 1 24 24 ASN C C 24 174.828 174.828 176.468 -1.640 17850 10435 1 13 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.251 1.256 17850 10436 1 13 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.893 -0.862 17850 10437 1 13 . 1 1 24 24 ASN H H 24 7.962 7.962 8.460 -0.498 17850 10438 1 13 . 1 1 25 25 ASN N N 25 117.385 117.385 117.537 -0.152 17850 10439 1 13 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.606 0.242 17850 10440 1 13 . 1 1 25 25 ASN C C 25 177.553 177.553 174.172 3.381 17850 10441 1 13 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.958 -0.643 17850 10442 1 13 . 1 1 25 25 ASN H H 25 8.489 8.489 7.880 0.609 17850 10443 1 13 . 1 1 26 26 GLY N N 26 113.934 113.934 107.911 6.023 17850 10444 1 13 . 1 1 26 26 GLY C C 26 173.371 173.371 173.500 -0.129 17850 10445 1 13 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.047 0.491 17850 10446 1 13 . 1 1 26 26 GLY H H 26 10.580 10.580 8.436 2.144 17850 10447 1 13 . 1 1 27 27 SER N N 27 113.842 113.842 122.077 -8.235 17850 10448 1 13 . 1 1 27 27 SER HA H 27 5.358 5.358 4.734 0.624 17850 10449 1 13 . 1 1 27 27 SER C C 27 172.645 172.645 175.117 -2.472 17850 10450 1 13 . 1 1 27 27 SER CA C 27 57.474 57.474 57.570 -0.096 17850 10451 1 13 . 1 1 27 27 SER CB C 27 66.576 66.576 63.290 3.286 17850 10452 1 13 . 1 1 27 27 SER H H 27 7.793 7.793 9.056 -1.263 17850 10453 1 13 . 1 1 28 28 ILE N N 28 127.597 127.597 128.330 -0.733 17850 10454 1 13 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.278 0.547 17850 10455 1 13 . 1 1 28 28 ILE C C 28 175.890 175.890 177.225 -1.335 17850 10456 1 13 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.439 -0.263 17850 10457 1 13 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.735 -0.641 17850 10458 1 13 . 1 1 28 28 ILE H H 28 9.787 9.787 9.234 0.553 17850 10459 1 13 . 1 1 29 29 SER N N 29 124.860 124.860 116.763 8.097 17850 10460 1 13 . 1 1 29 29 SER HA H 29 4.813 4.813 4.123 0.690 17850 10461 1 13 . 1 1 29 29 SER C C 29 175.477 175.477 176.865 -1.388 17850 10462 1 13 . 1 1 29 29 SER CA C 29 56.583 56.583 61.290 -4.707 17850 10463 1 13 . 1 1 29 29 SER CB C 29 66.269 66.269 62.626 3.643 17850 10464 1 13 . 1 1 29 29 SER H H 29 9.320 9.320 8.303 1.017 17850 10465 1 13 . 1 1 30 30 SER N N 30 117.383 117.383 116.402 0.981 17850 10466 1 13 . 1 1 30 30 SER HA H 30 4.141 4.141 4.367 -0.226 17850 10467 1 13 . 1 1 30 30 SER C C 30 176.531 176.531 175.814 0.717 17850 10468 1 13 . 1 1 30 30 SER CA C 30 62.690 62.690 60.542 2.148 17850 10469 1 13 . 1 1 30 30 SER CB C 30 62.264 62.264 63.131 -0.867 17850 10470 1 13 . 1 1 30 30 SER H H 30 9.554 9.554 7.939 1.615 17850 10471 1 13 . 1 1 31 31 SER N N 31 116.232 116.232 115.038 1.194 17850 10472 1 13 . 1 1 31 31 SER HA H 31 4.309 4.309 4.430 -0.121 17850 10473 1 13 . 1 1 31 31 SER C C 31 178.017 178.017 175.730 2.287 17850 10474 1 13 . 1 1 31 31 SER CA C 31 61.332 61.332 59.831 1.501 17850 10475 1 13 . 1 1 31 31 SER CB C 31 62.512 62.512 63.856 -1.344 17850 10476 1 13 . 1 1 31 31 SER H H 31 8.141 8.141 7.436 0.705 17850 10477 1 13 . 1 1 32 32 GLU N N 32 125.663 125.663 120.038 5.625 17850 10478 1 13 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.944 0.109 17850 10479 1 13 . 1 1 32 32 GLU C C 32 179.222 179.222 177.372 1.850 17850 10480 1 13 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.499 0.200 17850 10481 1 13 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.692 -0.440 17850 10482 1 13 . 1 1 32 32 GLU H H 32 7.947 7.947 8.336 -0.389 17850 10483 1 13 . 1 1 33 33 LEU N N 33 120.624 120.624 118.394 2.230 17850 10484 1 13 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.099 0.069 17850 10485 1 13 . 1 1 33 33 LEU C C 33 178.493 178.493 178.970 -0.477 17850 10486 1 13 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.632 1.275 17850 10487 1 13 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.047 1.270 17850 10488 1 13 . 1 1 33 33 LEU H H 33 8.424 8.424 8.419 0.005 17850 10489 1 13 . 1 1 34 34 ALA N N 34 119.635 119.635 120.896 -1.261 17850 10490 1 13 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.093 -0.269 17850 10491 1 13 . 1 1 34 34 ALA C C 34 179.360 179.360 178.531 0.829 17850 10492 1 13 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.923 -0.327 17850 10493 1 13 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.750 -0.073 17850 10494 1 13 . 1 1 34 34 ALA H H 34 8.410 8.410 8.151 0.259 17850 10495 1 13 . 1 1 35 35 THR N N 35 114.602 114.602 116.097 -1.495 17850 10496 1 13 . 1 1 35 35 THR HA H 35 3.886 3.886 3.999 -0.113 17850 10497 1 13 . 1 1 35 35 THR C C 35 177.278 177.278 176.002 1.276 17850 10498 1 13 . 1 1 35 35 THR CA C 35 67.317 67.317 65.213 2.104 17850 10499 1 13 . 1 1 35 35 THR CB C 35 68.774 68.774 69.316 -0.542 17850 10500 1 13 . 1 1 35 35 THR H H 35 8.263 8.263 7.743 0.520 17850 10501 1 13 . 1 1 36 36 VAL N N 36 122.295 122.295 118.370 3.925 17850 10502 1 13 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.571 0.034 17850 10503 1 13 . 1 1 36 36 VAL C C 36 178.653 178.653 178.300 0.353 17850 10504 1 13 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.787 -0.049 17850 10505 1 13 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.369 -0.066 17850 10506 1 13 . 1 1 36 36 VAL H H 36 7.790 7.790 7.638 0.152 17850 10507 1 13 . 1 1 37 37 MET N N 37 117.677 117.677 116.469 1.208 17850 10508 1 13 . 1 1 37 37 MET HA H 37 3.642 3.642 4.353 -0.711 17850 10509 1 13 . 1 1 37 37 MET C C 37 178.172 178.172 179.022 -0.850 17850 10510 1 13 . 1 1 37 37 MET CA C 37 60.506 60.506 58.038 2.468 17850 10511 1 13 . 1 1 37 37 MET CB C 37 32.347 32.347 31.739 0.608 17850 10512 1 13 . 1 1 37 37 MET H H 37 8.081 8.081 8.070 0.011 17850 10513 1 13 . 1 1 38 38 ARG N N 38 118.309 118.309 120.425 -2.116 17850 10514 1 13 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.068 0.620 17850 10515 1 13 . 1 1 38 38 ARG C C 38 181.486 181.486 177.410 4.076 17850 10516 1 13 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.362 0.739 17850 10517 1 13 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.884 0.127 17850 10518 1 13 . 1 1 38 38 ARG H H 38 8.547 8.547 8.090 0.457 17850 10519 1 13 . 1 1 39 39 SER N N 39 119.250 119.250 112.445 6.805 17850 10520 1 13 . 1 1 39 39 SER HA H 39 4.301 4.301 4.366 -0.065 17850 10521 1 13 . 1 1 39 39 SER C C 39 174.899 174.899 174.664 0.235 17850 10522 1 13 . 1 1 39 39 SER CA C 39 61.925 61.925 58.739 3.186 17850 10523 1 13 . 1 1 39 39 SER CB C 39 62.773 62.773 63.605 -0.832 17850 10524 1 13 . 1 1 39 39 SER H H 39 8.226 8.226 7.656 0.570 17850 10525 1 13 . 1 1 40 40 LEU N N 40 119.516 119.516 117.290 2.226 17850 10526 1 13 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.039 0.231 17850 10527 1 13 . 1 1 40 40 LEU C C 40 176.681 176.681 176.385 0.296 17850 10528 1 13 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.451 0.132 17850 10529 1 13 . 1 1 40 40 LEU H H 40 7.343 7.343 7.790 -0.447 17850 10530 1 13 . 1 1 41 41 GLY N N 41 105.983 105.983 106.864 -0.881 17850 10531 1 13 . 1 1 41 41 GLY C C 41 174.471 174.471 175.015 -0.544 17850 10532 1 13 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.264 0.975 17850 10533 1 13 . 1 1 41 41 GLY H H 41 7.858 7.858 7.780 0.078 17850 10534 1 13 . 1 1 42 42 LEU N N 42 120.442 120.442 119.622 0.820 17850 10535 1 13 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.546 -0.075 17850 10536 1 13 . 1 1 42 42 LEU C C 42 175.965 175.965 174.649 1.316 17850 10537 1 13 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.375 1.870 17850 10538 1 13 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.164 0.367 17850 10539 1 13 . 1 1 42 42 LEU H H 42 7.707 7.707 8.474 -0.767 17850 10540 1 13 . 1 1 43 43 SER HA H 43 4.798 4.798 4.698 0.100 17850 10541 1 13 . 1 1 43 43 SER CA C 43 54.912 54.912 57.339 -2.427 17850 10542 1 13 . 1 1 43 43 SER CB C 43 63.197 63.197 63.267 -0.070 17850 10543 1 13 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.510 0.282 17850 10544 1 13 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.177 -0.296 17850 10545 1 13 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.661 -1.461 17850 10546 1 13 . 1 1 45 45 SER N N 45 119.898 119.898 122.739 -2.841 17850 10547 1 13 . 1 1 45 45 SER HA H 45 4.611 4.611 3.991 0.620 17850 10548 1 13 . 1 1 45 45 SER C C 45 174.913 174.913 176.320 -1.407 17850 10549 1 13 . 1 1 45 45 SER CA C 45 56.689 56.689 61.778 -5.089 17850 10550 1 13 . 1 1 45 45 SER CB C 45 65.502 65.502 63.465 2.037 17850 10551 1 13 . 1 1 45 45 SER H H 45 9.387 9.387 9.058 0.329 17850 10552 1 13 . 1 1 46 46 GLU N N 46 121.468 121.468 118.322 3.146 17850 10553 1 13 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.082 -0.143 17850 10554 1 13 . 1 1 46 46 GLU C C 46 179.002 179.002 178.756 0.246 17850 10555 1 13 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.547 0.588 17850 10556 1 13 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.998 0.349 17850 10557 1 13 . 1 1 46 46 GLU H H 46 8.913 8.913 8.528 0.385 17850 10558 1 13 . 1 1 47 47 ALA N N 47 121.115 121.115 121.815 -0.700 17850 10559 1 13 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.123 0.029 17850 10560 1 13 . 1 1 47 47 ALA C C 47 179.962 179.962 180.195 -0.233 17850 10561 1 13 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.534 0.584 17850 10562 1 13 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.212 -0.857 17850 10563 1 13 . 1 1 47 47 ALA H H 47 8.324 8.324 7.714 0.610 17850 10564 1 13 . 1 1 48 48 GLU N N 48 118.713 118.713 120.303 -1.590 17850 10565 1 13 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.749 0.355 17850 10566 1 13 . 1 1 48 48 GLU C C 48 179.558 179.558 178.315 1.243 17850 10567 1 13 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.193 -1.975 17850 10568 1 13 . 1 1 48 48 GLU CB C 48 29.904 29.904 29.282 0.622 17850 10569 1 13 . 1 1 48 48 GLU H H 48 7.756 7.756 8.927 -1.171 17850 10570 1 13 . 1 1 49 49 VAL N N 49 119.108 119.108 119.748 -0.640 17850 10571 1 13 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.926 -0.462 17850 10572 1 13 . 1 1 49 49 VAL C C 49 177.505 177.505 178.405 -0.900 17850 10573 1 13 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.109 2.362 17850 10574 1 13 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.269 0.172 17850 10575 1 13 . 1 1 49 49 VAL H H 49 8.129 8.129 7.812 0.317 17850 10576 1 13 . 1 1 50 50 ASN N N 50 117.942 117.942 117.803 0.139 17850 10577 1 13 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.541 -0.153 17850 10578 1 13 . 1 1 50 50 ASN C C 50 177.275 177.275 176.853 0.422 17850 10579 1 13 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.814 0.967 17850 10580 1 13 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.525 -0.128 17850 10581 1 13 . 1 1 50 50 ASN H H 50 8.071 8.071 7.714 0.357 17850 10582 1 13 . 1 1 51 51 ASP N N 51 120.669 120.669 118.643 2.026 17850 10583 1 13 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.605 -0.114 17850 10584 1 13 . 1 1 51 51 ASP C C 51 179.203 179.203 178.084 1.119 17850 10585 1 13 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.289 1.306 17850 10586 1 13 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.278 -0.964 17850 10587 1 13 . 1 1 51 51 ASP H H 51 8.364 8.364 8.207 0.157 17850 10588 1 13 . 1 1 52 52 LEU N N 52 122.409 122.409 117.284 5.125 17850 10589 1 13 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.211 -0.141 17850 10590 1 13 . 1 1 52 52 LEU C C 52 179.017 179.017 177.692 1.325 17850 10591 1 13 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.751 0.707 17850 10592 1 13 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.659 0.422 17850 10593 1 13 . 1 1 52 52 LEU H H 52 8.018 8.018 8.579 -0.561 17850 10594 1 13 . 1 1 53 53 MET N N 53 117.391 117.391 118.437 -1.046 17850 10595 1 13 . 1 1 53 53 MET HA H 53 4.112 4.112 4.484 -0.372 17850 10596 1 13 . 1 1 53 53 MET CA C 53 57.472 57.472 57.079 0.393 17850 10597 1 13 . 1 1 53 53 MET CB C 53 30.021 30.021 32.959 -2.938 17850 10598 1 13 . 1 1 53 53 MET H H 53 8.562 8.562 8.496 0.066 17850 10599 1 13 . 1 1 54 54 ASN N N 54 115.554 115.554 116.116 -0.562 17850 10600 1 13 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.656 -0.098 17850 10601 1 13 . 1 1 54 54 ASN C C 54 176.801 176.801 175.354 1.447 17850 10602 1 13 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.077 1.220 17850 10603 1 13 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.789 -0.632 17850 10604 1 13 . 1 1 54 54 ASN H H 54 8.204 8.204 7.622 0.582 17850 10605 1 13 . 1 1 55 55 GLU N N 55 117.659 117.659 115.837 1.822 17850 10606 1 13 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.440 -0.238 17850 10607 1 13 . 1 1 55 55 GLU C C 55 177.093 177.093 176.807 0.286 17850 10608 1 13 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.780 2.047 17850 10609 1 13 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.383 -0.363 17850 10610 1 13 . 1 1 55 55 GLU H H 55 7.617 7.617 7.302 0.315 17850 10611 1 13 . 1 1 56 56 ILE N N 56 117.618 117.618 123.216 -5.598 17850 10612 1 13 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.196 -0.312 17850 10613 1 13 . 1 1 56 56 ILE C C 56 176.029 176.029 176.956 -0.927 17850 10614 1 13 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.012 -0.198 17850 10615 1 13 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.342 1.586 17850 10616 1 13 . 1 1 56 56 ILE H H 56 7.472 7.472 7.874 -0.402 17850 10617 1 13 . 1 1 57 57 ASP N N 57 118.636 118.636 124.986 -6.350 17850 10618 1 13 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.477 -0.065 17850 10619 1 13 . 1 1 57 57 ASP C C 57 175.691 175.691 176.707 -1.016 17850 10620 1 13 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.770 -1.237 17850 10621 1 13 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.268 -0.023 17850 10622 1 13 . 1 1 57 57 ASP H H 57 8.304 8.304 9.037 -0.733 17850 10623 1 13 . 1 1 58 58 VAL N N 58 126.376 126.376 117.473 8.903 17850 10624 1 13 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.129 -0.135 17850 10625 1 13 . 1 1 58 58 VAL C C 58 177.258 177.258 176.853 0.405 17850 10626 1 13 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.704 2.630 17850 10627 1 13 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.087 1.220 17850 10628 1 13 . 1 1 58 58 VAL H H 58 7.926 7.926 7.534 0.392 17850 10629 1 13 . 1 1 59 59 ASP N N 59 117.093 117.093 119.944 -2.851 17850 10630 1 13 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.252 0.305 17850 10631 1 13 . 1 1 59 59 ASP C C 59 177.759 177.759 176.800 0.959 17850 10632 1 13 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.979 -1.103 17850 10633 1 13 . 1 1 59 59 ASP H H 59 8.363 8.363 8.363 -0.000 17850 10634 1 13 . 1 1 60 60 GLY N N 60 108.290 108.290 107.754 0.536 17850 10635 1 13 . 1 1 60 60 GLY C C 60 174.700 174.700 174.714 -0.014 17850 10636 1 13 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.066 3.054 17850 10637 1 13 . 1 1 60 60 GLY H H 60 7.636 7.636 8.992 -1.356 17850 10638 1 13 . 1 1 61 61 ASN N N 61 118.884 118.884 115.880 3.004 17850 10639 1 13 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.354 0.175 17850 10640 1 13 . 1 1 61 61 ASN C C 61 175.856 175.856 172.843 3.013 17850 10641 1 13 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.787 -2.427 17850 10642 1 13 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.865 0.312 17850 10643 1 13 . 1 1 61 61 ASN H H 61 8.078 8.078 8.779 -0.701 17850 10644 1 13 . 1 1 62 62 HIS N N 62 117.381 117.381 112.477 4.904 17850 10645 1 13 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.160 -1.283 17850 10646 1 13 . 1 1 62 62 HIS C C 62 172.310 172.310 173.798 -1.488 17850 10647 1 13 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.147 2.226 17850 10648 1 13 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.118 -8.384 17850 10649 1 13 . 1 1 62 62 HIS H H 62 9.958 9.958 8.336 1.622 17850 10650 1 13 . 1 1 63 63 GLN N N 63 112.906 112.906 120.173 -7.267 17850 10651 1 13 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.944 -0.112 17850 10652 1 13 . 1 1 63 63 GLN C C 63 174.861 174.861 176.047 -1.186 17850 10653 1 13 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.428 -0.553 17850 10654 1 13 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.215 1.935 17850 10655 1 13 . 1 1 63 63 GLN H H 63 7.535 7.535 8.325 -0.790 17850 10656 1 13 . 1 1 64 64 ILE N N 64 124.083 124.083 127.568 -3.485 17850 10657 1 13 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.787 0.285 17850 10658 1 13 . 1 1 64 64 ILE C C 64 176.670 176.670 176.296 0.374 17850 10659 1 13 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.026 -0.355 17850 10660 1 13 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.473 -1.306 17850 10661 1 13 . 1 1 64 64 ILE H H 64 9.274 9.274 8.248 1.026 17850 10662 1 13 . 1 1 65 65 GLU N N 65 129.276 129.276 119.576 9.700 17850 10663 1 13 . 1 1 65 65 GLU HA H 65 5.040 5.040 3.405 1.635 17850 10664 1 13 . 1 1 65 65 GLU C C 65 178.156 178.156 176.582 1.574 17850 10665 1 13 . 1 1 65 65 GLU CA C 65 57.848 57.848 56.868 0.980 17850 10666 1 13 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.714 1.466 17850 10667 1 13 . 1 1 65 65 GLU H H 65 8.848 8.848 8.993 -0.145 17850 10668 1 13 . 1 1 66 66 PHE N N 66 124.260 124.260 118.968 5.292 17850 10669 1 13 . 1 1 66 66 PHE HA H 66 3.690 3.690 4.183 -0.493 17850 10670 1 13 . 1 1 66 66 PHE C C 66 177.294 177.294 176.002 1.292 17850 10671 1 13 . 1 1 66 66 PHE CA C 66 62.020 62.020 59.737 2.283 17850 10672 1 13 . 1 1 66 66 PHE CB C 66 37.954 37.954 39.265 -1.311 17850 10673 1 13 . 1 1 66 66 PHE H H 66 9.353 9.353 7.839 1.514 17850 10674 1 13 . 1 1 67 67 SER N N 67 112.827 112.827 116.476 -3.649 17850 10675 1 13 . 1 1 67 67 SER HA H 67 3.726 3.726 4.231 -0.505 17850 10676 1 13 . 1 1 67 67 SER C C 67 177.352 177.352 175.683 1.669 17850 10677 1 13 . 1 1 67 67 SER CA C 67 61.581 61.581 60.496 1.085 17850 10678 1 13 . 1 1 67 67 SER CB C 67 61.379 61.379 63.210 -1.831 17850 10679 1 13 . 1 1 67 67 SER H H 67 9.035 9.035 8.030 1.005 17850 10680 1 13 . 1 1 68 68 GLU N N 68 123.071 123.071 120.820 2.251 17850 10681 1 13 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.947 0.188 17850 10682 1 13 . 1 1 68 68 GLU C C 68 178.895 178.895 178.053 0.842 17850 10683 1 13 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.273 -2.295 17850 10684 1 13 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.200 -0.923 17850 10685 1 13 . 1 1 68 68 GLU H H 68 6.829 6.829 8.312 -1.482 17850 10686 1 13 . 1 1 69 69 PHE N N 69 123.805 123.805 116.100 7.705 17850 10687 1 13 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.121 -0.222 17850 10688 1 13 . 1 1 69 69 PHE C C 69 176.325 176.325 175.983 0.342 17850 10689 1 13 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.121 1.304 17850 10690 1 13 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.303 3.125 17850 10691 1 13 . 1 1 69 69 PHE H H 69 8.245 8.245 7.837 0.408 17850 10692 1 13 . 1 1 70 70 LEU N N 70 119.210 119.210 117.790 1.420 17850 10693 1 13 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.140 -0.904 17850 10694 1 13 . 1 1 70 70 LEU C C 70 179.131 179.131 177.629 1.502 17850 10695 1 13 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.097 1.380 17850 10696 1 13 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.505 -0.177 17850 10697 1 13 . 1 1 70 70 LEU H H 70 8.788 8.788 7.152 1.636 17850 10698 1 13 . 1 1 71 71 ALA N N 71 121.612 121.612 121.617 -0.005 17850 10699 1 13 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.045 -0.136 17850 10700 1 13 . 1 1 71 71 ALA C C 71 179.804 179.804 178.768 1.036 17850 10701 1 13 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.500 0.616 17850 10702 1 13 . 1 1 71 71 ALA CB C 71 17.762 17.762 19.456 -1.694 17850 10703 1 13 . 1 1 71 71 ALA H H 71 7.365 7.365 7.193 0.172 17850 10704 1 13 . 1 1 72 72 LEU N N 72 118.944 118.944 116.620 2.324 17850 10705 1 13 . 1 1 72 72 LEU HA H 72 3.964 3.964 4.082 -0.118 17850 10706 1 13 . 1 1 72 72 LEU C C 72 178.415 178.415 177.650 0.765 17850 10707 1 13 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.552 1.265 17850 10708 1 13 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.911 -0.443 17850 10709 1 13 . 1 1 72 72 LEU H H 72 7.142 7.142 7.470 -0.328 17850 10710 1 13 . 1 1 73 73 MET N N 73 114.500 114.500 113.036 1.464 17850 10711 1 13 . 1 1 73 73 MET HA H 73 3.978 3.978 4.600 -0.622 17850 10712 1 13 . 1 1 73 73 MET C C 73 178.283 178.283 176.295 1.988 17850 10713 1 13 . 1 1 73 73 MET CA C 73 55.701 55.701 55.574 0.127 17850 10714 1 13 . 1 1 73 73 MET CB C 73 30.742 30.742 33.300 -2.558 17850 10715 1 13 . 1 1 73 73 MET H H 73 7.726 7.726 7.694 0.032 17850 10716 1 13 . 1 1 74 74 SER N N 74 112.626 112.626 116.586 -3.960 17850 10717 1 13 . 1 1 74 74 SER HA H 74 4.287 4.287 4.627 -0.340 17850 10718 1 13 . 1 1 74 74 SER C C 74 174.717 174.717 175.137 -0.420 17850 10719 1 13 . 1 1 74 74 SER CA C 74 59.582 59.582 59.120 0.463 17850 10720 1 13 . 1 1 74 74 SER CB C 74 63.746 63.746 64.760 -1.014 17850 10721 1 13 . 1 1 74 74 SER H H 74 7.857 7.857 7.978 -0.121 17850 10722 1 13 . 1 1 75 75 ARG N N 75 122.130 122.130 119.136 2.994 17850 10723 1 13 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.179 -0.032 17850 10724 1 13 . 1 1 75 75 ARG CA C 75 57.775 57.775 57.796 -0.021 17850 10725 1 13 . 1 1 75 75 ARG CB C 75 30.666 30.666 30.622 0.045 17850 10726 1 13 . 1 1 75 75 ARG H H 75 7.208 7.208 8.308 -1.100 17850 10727 1 13 . 1 1 76 76 GLN N N 76 121.749 121.749 118.469 3.280 17850 10728 1 13 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.226 0.058 17850 10729 1 13 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.141 0.052 17850 10730 1 13 . 1 1 76 76 GLN CB C 76 29.057 29.057 26.543 2.514 17850 10731 1 13 . 1 1 76 76 GLN H H 76 8.327 8.327 7.900 0.427 17850 10732 1 13 . 1 1 77 77 LEU N N 77 124.093 124.093 124.558 -0.465 17850 10733 1 13 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.253 0.186 17850 10734 1 13 . 1 1 77 77 LEU C C 77 177.670 177.670 177.556 0.114 17850 10735 1 13 . 1 1 77 77 LEU CA C 77 55.283 55.283 56.887 -1.604 17850 10736 1 13 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.480 0.300 17850 10737 1 13 . 1 1 77 77 LEU H H 77 8.264 8.264 8.402 -0.138 17850 10738 1 13 . 1 1 78 78 LYS N N 78 121.053 121.053 117.192 3.861 17850 10739 1 13 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.334 0.073 17850 10740 1 13 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.994 -0.809 17850 10741 1 13 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.432 -0.155 17850 10742 1 13 . 1 1 78 78 LYS H H 78 8.433 8.433 8.568 -0.135 17850 10743 1 13 . 1 1 79 79 SER N N 79 116.423 116.423 114.844 1.579 17850 10744 1 13 . 1 1 79 79 SER HA H 79 4.321 4.321 4.646 -0.325 17850 10745 1 13 . 1 1 79 79 SER C C 79 175.145 175.145 172.897 2.248 17850 10746 1 13 . 1 1 79 79 SER CA C 79 59.795 59.795 57.949 1.846 17850 10747 1 13 . 1 1 79 79 SER CB C 79 63.226 63.226 63.760 -0.534 17850 10748 1 13 . 1 1 79 79 SER H H 79 8.448 8.448 8.341 0.107 17850 10749 1 13 . 1 1 80 80 ASN N N 80 119.581 119.581 120.194 -0.613 17850 10750 1 13 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.675 0.024 17850 10751 1 13 . 1 1 80 80 ASN C C 80 175.726 175.726 176.870 -1.144 17850 10752 1 13 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.500 -1.087 17850 10753 1 13 . 1 1 80 80 ASN CB C 80 38.588 38.588 39.055 -0.467 17850 10754 1 13 . 1 1 80 80 ASN H H 80 8.513 8.513 8.254 0.259 17850 10755 1 13 . 1 1 81 81 ASP N N 81 120.378 120.378 119.365 1.013 17850 10756 1 13 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.232 0.398 17850 10757 1 13 . 1 1 81 81 ASP C C 81 177.281 177.281 178.251 -0.970 17850 10758 1 13 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.605 -2.012 17850 10759 1 13 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.570 1.036 17850 10760 1 13 . 1 1 81 81 ASP H H 81 7.957 7.957 8.725 -0.768 17850 10761 1 13 . 1 1 82 82 SER N N 82 117.046 117.046 114.304 2.742 17850 10762 1 13 . 1 1 82 82 SER HA H 82 4.194 4.194 4.260 -0.066 17850 10763 1 13 . 1 1 82 82 SER C C 82 176.745 176.745 176.545 0.200 17850 10764 1 13 . 1 1 82 82 SER CA C 82 61.376 61.376 60.979 0.397 17850 10765 1 13 . 1 1 82 82 SER CB C 82 62.896 62.896 62.921 -0.025 17850 10766 1 13 . 1 1 82 82 SER H H 82 8.469 8.469 8.613 -0.144 17850 10767 1 13 . 1 1 83 83 GLU N N 83 122.405 122.405 119.981 2.424 17850 10768 1 13 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.127 -0.027 17850 10769 1 13 . 1 1 83 83 GLU C C 83 178.740 178.740 178.768 -0.028 17850 10770 1 13 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.204 0.261 17850 10771 1 13 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.301 0.103 17850 10772 1 13 . 1 1 83 83 GLU H H 83 8.357 8.357 8.129 0.228 17850 10773 1 13 . 1 1 84 84 GLN N N 84 118.604 118.604 119.953 -1.349 17850 10774 1 13 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.114 -0.005 17850 10775 1 13 . 1 1 84 84 GLN C C 84 178.533 178.533 178.434 0.099 17850 10776 1 13 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.782 -0.315 17850 10777 1 13 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.962 0.459 17850 10778 1 13 . 1 1 84 84 GLN H H 84 7.988 7.988 8.540 -0.552 17850 10779 1 13 . 1 1 85 85 GLU N N 85 119.418 119.418 119.510 -0.092 17850 10780 1 13 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.311 -0.369 17850 10781 1 13 . 1 1 85 85 GLU C C 85 178.250 178.250 178.904 -0.654 17850 10782 1 13 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.222 0.902 17850 10783 1 13 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.766 -0.194 17850 10784 1 13 . 1 1 85 85 GLU H H 85 8.228 8.228 7.491 0.737 17850 10785 1 13 . 1 1 86 86 LEU N N 86 120.010 120.010 117.642 2.368 17850 10786 1 13 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.131 0.028 17850 10787 1 13 . 1 1 86 86 LEU C C 86 178.534 178.534 179.063 -0.529 17850 10788 1 13 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.580 -0.373 17850 10789 1 13 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.966 0.660 17850 10790 1 13 . 1 1 86 86 LEU H H 86 7.797 7.797 7.929 -0.132 17850 10791 1 13 . 1 1 87 87 LEU N N 87 119.111 119.111 120.980 -1.869 17850 10792 1 13 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.005 0.099 17850 10793 1 13 . 1 1 87 87 LEU C C 87 179.333 179.333 179.399 -0.066 17850 10794 1 13 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.315 -0.072 17850 10795 1 13 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.817 -0.051 17850 10796 1 13 . 1 1 87 87 LEU H H 87 7.825 7.825 8.715 -0.890 17850 10797 1 13 . 1 1 88 88 GLU N N 88 117.514 117.514 119.362 -1.848 17850 10798 1 13 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.426 -0.325 17850 10799 1 13 . 1 1 88 88 GLU C C 88 179.461 179.461 178.778 0.683 17850 10800 1 13 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.236 -0.220 17850 10801 1 13 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.416 -0.746 17850 10802 1 13 . 1 1 88 88 GLU H H 88 8.265 8.265 8.763 -0.498 17850 10803 1 13 . 1 1 89 89 ALA N N 89 120.734 120.734 124.149 -3.415 17850 10804 1 13 . 1 1 89 89 ALA HA H 89 4.167 4.167 2.931 1.236 17850 10805 1 13 . 1 1 89 89 ALA C C 89 178.362 178.362 178.368 -0.006 17850 10806 1 13 . 1 1 89 89 ALA CA C 89 55.077 55.077 53.479 1.598 17850 10807 1 13 . 1 1 89 89 ALA CB C 89 17.983 17.983 18.893 -0.910 17850 10808 1 13 . 1 1 89 89 ALA H H 89 8.192 8.192 8.424 -0.232 17850 10809 1 13 . 1 1 90 90 PHE N N 90 119.339 119.339 119.196 0.143 17850 10810 1 13 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.856 -0.657 17850 10811 1 13 . 1 1 90 90 PHE C C 90 177.497 177.497 177.674 -0.177 17850 10812 1 13 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.120 1.065 17850 10813 1 13 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.513 1.307 17850 10814 1 13 . 1 1 90 90 PHE H H 90 8.685 8.685 8.284 0.401 17850 10815 1 13 . 1 1 91 91 LYS N N 91 116.189 116.189 119.352 -3.163 17850 10816 1 13 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.914 0.034 17850 10817 1 13 . 1 1 91 91 LYS C C 91 178.236 178.236 178.210 0.026 17850 10818 1 13 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.630 -0.116 17850 10819 1 13 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.694 0.177 17850 10820 1 13 . 1 1 91 91 LYS H H 91 8.112 8.112 8.104 0.008 17850 10821 1 13 . 1 1 92 92 VAL N N 92 117.696 117.696 116.722 0.974 17850 10822 1 13 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.953 -0.381 17850 10823 1 13 . 1 1 92 92 VAL C C 92 176.545 176.545 176.783 -0.238 17850 10824 1 13 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.699 0.873 17850 10825 1 13 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.264 -0.838 17850 10826 1 13 . 1 1 92 92 VAL H H 92 7.383 7.383 7.397 -0.014 17850 10827 1 13 . 1 1 93 93 PHE N N 93 114.826 114.826 117.928 -3.102 17850 10828 1 13 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.679 -0.452 17850 10829 1 13 . 1 1 93 93 PHE C C 93 176.417 176.417 176.342 0.075 17850 10830 1 13 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.767 0.833 17850 10831 1 13 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.805 2.391 17850 10832 1 13 . 1 1 93 93 PHE H H 93 7.116 7.116 7.848 -0.732 17850 10833 1 13 . 1 1 94 94 ASP N N 94 116.753 116.753 124.918 -8.165 17850 10834 1 13 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.512 0.019 17850 10835 1 13 . 1 1 94 94 ASP C C 94 177.305 177.305 177.141 0.164 17850 10836 1 13 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.427 -2.956 17850 10837 1 13 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.411 -1.570 17850 10838 1 13 . 1 1 94 94 ASP H H 94 7.849 7.849 8.218 -0.369 17850 10839 1 13 . 1 1 95 95 LYS N N 95 125.185 125.185 119.206 5.979 17850 10840 1 13 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.166 -0.163 17850 10841 1 13 . 1 1 95 95 LYS C C 95 178.261 178.261 176.931 1.330 17850 10842 1 13 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.757 1.320 17850 10843 1 13 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.359 -1.169 17850 10844 1 13 . 1 1 95 95 LYS H H 95 7.755 7.755 7.856 -0.101 17850 10845 1 13 . 1 1 96 96 ASN N N 96 112.542 112.542 119.734 -7.192 17850 10846 1 13 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.358 0.427 17850 10847 1 13 . 1 1 96 96 ASN C C 96 176.469 176.469 174.534 1.935 17850 10848 1 13 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.989 -1.127 17850 10849 1 13 . 1 1 96 96 ASN H H 96 8.069 8.069 7.988 0.081 17850 10850 1 13 . 1 1 97 97 GLY N N 97 109.956 109.956 110.950 -0.994 17850 10851 1 13 . 1 1 97 97 GLY C C 97 175.032 175.032 175.736 -0.704 17850 10852 1 13 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.289 3.419 17850 10853 1 13 . 1 1 97 97 GLY H H 97 7.686 7.686 9.013 -1.327 17850 10854 1 13 . 1 1 98 98 ASP N N 98 119.383 119.383 120.149 -0.766 17850 10855 1 13 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.302 0.251 17850 10856 1 13 . 1 1 98 98 ASP C C 98 177.274 177.274 174.658 2.616 17850 10857 1 13 . 1 1 98 98 ASP CA C 98 53.334 53.334 55.000 -1.666 17850 10858 1 13 . 1 1 98 98 ASP H H 98 8.249 8.249 8.059 0.190 17850 10859 1 13 . 1 1 99 99 GLY N N 99 112.398 112.398 105.382 7.016 17850 10860 1 13 . 1 1 99 99 GLY C C 99 173.128 173.128 173.979 -0.851 17850 10861 1 13 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.844 1.885 17850 10862 1 13 . 1 1 99 99 GLY H H 99 10.390 10.390 8.056 2.334 17850 10863 1 13 . 1 1 100 100 LEU N N 100 120.803 120.803 125.670 -4.867 17850 10864 1 13 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.799 0.466 17850 10865 1 13 . 1 1 100 100 LEU C C 100 176.427 176.427 177.255 -0.828 17850 10866 1 13 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.038 -2.262 17850 10867 1 13 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.965 4.236 17850 10868 1 13 . 1 1 100 100 LEU H H 100 7.987 7.987 9.007 -1.020 17850 10869 1 13 . 1 1 101 101 ILE N N 101 125.286 125.286 127.726 -2.440 17850 10870 1 13 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.488 0.234 17850 10871 1 13 . 1 1 101 101 ILE C C 101 175.432 175.432 177.143 -1.711 17850 10872 1 13 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.700 -0.451 17850 10873 1 13 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.625 -0.561 17850 10874 1 13 . 1 1 101 101 ILE H H 101 9.698 9.698 8.333 1.365 17850 10875 1 13 . 1 1 102 102 SER N N 102 123.133 123.133 117.736 5.397 17850 10876 1 13 . 1 1 102 102 SER HA H 102 4.969 4.969 4.111 0.858 17850 10877 1 13 . 1 1 102 102 SER C C 102 175.298 175.298 175.978 -0.680 17850 10878 1 13 . 1 1 102 102 SER CA C 102 55.994 55.994 61.900 -5.906 17850 10879 1 13 . 1 1 102 102 SER CB C 102 66.456 66.456 62.316 4.141 17850 10880 1 13 . 1 1 102 102 SER H H 102 9.095 9.095 8.817 0.278 17850 10881 1 13 . 1 1 103 103 ALA N N 103 122.886 122.886 122.222 0.664 17850 10882 1 13 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.832 0.057 17850 10883 1 13 . 1 1 103 103 ALA C C 103 179.237 179.237 179.764 -0.527 17850 10884 1 13 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.375 0.707 17850 10885 1 13 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.808 0.249 17850 10886 1 13 . 1 1 103 103 ALA H H 103 8.691 8.691 8.663 0.028 17850 10887 1 13 . 1 1 104 104 ALA N N 104 118.317 118.317 120.534 -2.217 17850 10888 1 13 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.605 0.469 17850 10889 1 13 . 1 1 104 104 ALA C C 104 181.451 181.451 179.019 2.432 17850 10890 1 13 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.603 0.682 17850 10891 1 13 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.441 -0.006 17850 10892 1 13 . 1 1 104 104 ALA H H 104 8.392 8.392 8.207 0.185 17850 10893 1 13 . 1 1 105 105 GLU N N 105 120.398 120.398 117.799 2.599 17850 10894 1 13 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.684 -0.624 17850 10895 1 13 . 1 1 105 105 GLU C C 105 179.223 179.223 177.695 1.528 17850 10896 1 13 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.279 0.184 17850 10897 1 13 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.141 -0.990 17850 10898 1 13 . 1 1 105 105 GLU H H 105 7.879 7.879 8.366 -0.487 17850 10899 1 13 . 1 1 106 106 LEU N N 106 120.023 120.023 120.689 -0.666 17850 10900 1 13 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.876 0.287 17850 10901 1 13 . 1 1 106 106 LEU C C 106 178.503 178.503 178.791 -0.288 17850 10902 1 13 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.701 -0.012 17850 10903 1 13 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.087 1.200 17850 10904 1 13 . 1 1 106 106 LEU H H 106 8.479 8.479 8.797 -0.318 17850 10905 1 13 . 1 1 107 107 LYS N N 107 117.064 117.064 119.957 -2.893 17850 10906 1 13 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.981 -0.163 17850 10907 1 13 . 1 1 107 107 LYS C C 107 179.039 179.039 178.960 0.079 17850 10908 1 13 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.075 1.233 17850 10909 1 13 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.033 0.857 17850 10910 1 13 . 1 1 107 107 LYS H H 107 8.758 8.758 8.593 0.165 17850 10911 1 13 . 1 1 108 108 HIS N N 108 119.125 119.125 118.816 0.309 17850 10912 1 13 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.490 0.826 17850 10913 1 13 . 1 1 108 108 HIS C C 108 178.394 178.394 177.261 1.133 17850 10914 1 13 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.563 0.624 17850 10915 1 13 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.310 1.182 17850 10916 1 13 . 1 1 108 108 HIS H H 108 8.287 8.287 7.854 0.433 17850 10917 1 13 . 1 1 109 109 VAL N N 109 119.525 119.525 118.332 1.193 17850 10918 1 13 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.633 -0.148 17850 10919 1 13 . 1 1 109 109 VAL C C 109 178.246 178.246 177.820 0.426 17850 10920 1 13 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.159 1.551 17850 10921 1 13 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.862 0.710 17850 10922 1 13 . 1 1 109 109 VAL H H 109 7.915 7.915 8.605 -0.690 17850 10923 1 13 . 1 1 110 110 LEU N N 110 117.403 117.403 118.264 -0.861 17850 10924 1 13 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.149 -0.170 17850 10925 1 13 . 1 1 110 110 LEU C C 110 178.968 178.968 178.342 0.626 17850 10926 1 13 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.519 -0.301 17850 10927 1 13 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.881 -1.353 17850 10928 1 13 . 1 1 110 110 LEU H H 110 8.269 8.269 8.282 -0.013 17850 10929 1 13 . 1 1 111 111 THR N N 111 114.122 114.122 115.331 -1.209 17850 10930 1 13 . 1 1 111 111 THR HA H 111 4.184 4.184 4.055 0.129 17850 10931 1 13 . 1 1 111 111 THR C C 111 178.534 178.534 175.642 2.892 17850 10932 1 13 . 1 1 111 111 THR CA C 111 66.252 66.252 64.600 1.652 17850 10933 1 13 . 1 1 111 111 THR CB C 111 68.851 68.851 68.555 0.296 17850 10934 1 13 . 1 1 111 111 THR H H 111 8.441 8.441 8.094 0.347 17850 10935 1 13 . 1 1 112 112 SER N N 112 119.981 119.981 106.390 13.591 17850 10936 1 13 . 1 1 112 112 SER HA H 112 4.215 4.215 4.747 -0.532 17850 10937 1 13 . 1 1 112 112 SER C C 112 175.523 175.523 174.695 0.828 17850 10938 1 13 . 1 1 112 112 SER CA C 112 62.197 62.197 58.421 3.776 17850 10939 1 13 . 1 1 112 112 SER CB C 112 62.936 62.936 65.360 -2.424 17850 10940 1 13 . 1 1 112 112 SER H H 112 7.910 7.910 7.147 0.763 17850 10941 1 13 . 1 1 113 113 ILE N N 113 112.726 112.726 119.293 -6.567 17850 10942 1 13 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.909 0.575 17850 10943 1 13 . 1 1 113 113 ILE C C 113 175.636 175.636 175.170 0.466 17850 10944 1 13 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.224 -0.469 17850 10945 1 13 . 1 1 113 113 ILE H H 113 7.473 7.473 7.504 -0.031 17850 10946 1 13 . 1 1 114 114 GLY N N 114 108.354 108.354 111.573 -3.219 17850 10947 1 13 . 1 1 114 114 GLY C C 114 174.583 174.583 174.277 0.306 17850 10948 1 13 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.870 -0.020 17850 10949 1 13 . 1 1 114 114 GLY H H 114 7.652 7.652 8.028 -0.376 17850 10950 1 13 . 1 1 115 115 GLU N N 115 120.283 120.283 125.817 -5.534 17850 10951 1 13 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.623 -0.318 17850 10952 1 13 . 1 1 115 115 GLU C C 115 175.444 175.444 175.458 -0.014 17850 10953 1 13 . 1 1 115 115 GLU CA C 115 55.132 55.132 54.974 0.158 17850 10954 1 13 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.100 0.150 17850 10955 1 13 . 1 1 115 115 GLU H H 115 8.045 8.045 8.423 -0.378 17850 10956 1 13 . 1 1 116 116 LYS N N 116 124.370 124.370 125.959 -1.589 17850 10957 1 13 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.530 -0.108 17850 10958 1 13 . 1 1 116 116 LYS C C 116 175.287 175.287 176.686 -1.399 17850 10959 1 13 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.094 0.541 17850 10960 1 13 . 1 1 116 116 LYS CB C 116 32.142 32.142 33.594 -1.452 17850 10961 1 13 . 1 1 116 116 LYS H H 116 8.571 8.571 8.597 -0.026 17850 10962 1 13 . 1 1 117 117 LEU N N 117 125.492 125.492 121.263 4.229 17850 10963 1 13 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.282 0.502 17850 10964 1 13 . 1 1 117 117 LEU C C 117 177.161 177.161 177.327 -0.166 17850 10965 1 13 . 1 1 117 117 LEU CA C 117 54.233 54.233 54.154 0.079 17850 10966 1 13 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.555 1.443 17850 10967 1 13 . 1 1 117 117 LEU H H 117 8.042 8.042 8.391 -0.349 17850 10968 1 13 . 1 1 118 118 THR N N 118 113.255 113.255 115.987 -2.732 17850 10969 1 13 . 1 1 118 118 THR HA H 118 4.497 4.497 4.043 0.454 17850 10970 1 13 . 1 1 118 118 THR C C 118 175.335 175.335 176.074 -0.739 17850 10971 1 13 . 1 1 118 118 THR CA C 118 60.434 60.434 65.954 -5.520 17850 10972 1 13 . 1 1 118 118 THR CB C 118 71.193 71.193 68.359 2.834 17850 10973 1 13 . 1 1 118 118 THR H H 118 8.995 8.995 8.721 0.274 17850 10974 1 13 . 1 1 119 119 ASP N N 119 120.837 120.837 118.042 2.795 17850 10975 1 13 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.646 -0.414 17850 10976 1 13 . 1 1 119 119 ASP C C 119 178.422 178.422 177.272 1.150 17850 10977 1 13 . 1 1 119 119 ASP CA C 119 58.097 58.097 55.825 2.272 17850 10978 1 13 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.276 -0.301 17850 10979 1 13 . 1 1 119 119 ASP H H 119 8.743 8.743 7.806 0.937 17850 10980 1 13 . 1 1 120 120 ALA N N 120 121.309 121.309 121.719 -0.410 17850 10981 1 13 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.285 -0.119 17850 10982 1 13 . 1 1 120 120 ALA C C 120 179.796 179.796 179.873 -0.077 17850 10983 1 13 . 1 1 120 120 ALA CA C 120 55.028 55.028 53.928 1.100 17850 10984 1 13 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.416 -1.096 17850 10985 1 13 . 1 1 120 120 ALA H H 120 8.304 8.304 7.404 0.900 17850 10986 1 13 . 1 1 121 121 GLU N N 121 118.068 118.068 120.961 -2.893 17850 10987 1 13 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.986 0.071 17850 10988 1 13 . 1 1 121 121 GLU C C 121 180.035 180.035 177.367 2.668 17850 10989 1 13 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.815 -1.577 17850 10990 1 13 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.456 0.973 17850 10991 1 13 . 1 1 121 121 GLU H H 121 7.705 7.705 8.857 -1.152 17850 10992 1 13 . 1 1 122 122 VAL N N 122 120.636 120.636 117.220 3.416 17850 10993 1 13 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.840 -0.303 17850 10994 1 13 . 1 1 122 122 VAL C C 122 177.120 177.120 177.362 -0.242 17850 10995 1 13 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.797 1.244 17850 10996 1 13 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.536 -0.144 17850 10997 1 13 . 1 1 122 122 VAL H H 122 7.935 7.935 7.739 0.196 17850 10998 1 13 . 1 1 123 123 ASP N N 123 120.336 120.336 119.361 0.975 17850 10999 1 13 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.515 -0.212 17850 11000 1 13 . 1 1 123 123 ASP C C 123 179.023 179.023 177.987 1.036 17850 11001 1 13 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.234 1.708 17850 11002 1 13 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.421 -0.750 17850 11003 1 13 . 1 1 123 123 ASP H H 123 8.204 8.204 7.761 0.443 17850 11004 1 13 . 1 1 124 124 ASP N N 124 118.890 118.890 121.141 -2.251 17850 11005 1 13 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.355 -0.015 17850 11006 1 13 . 1 1 124 124 ASP C C 124 178.527 178.527 178.726 -0.199 17850 11007 1 13 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.993 0.530 17850 11008 1 13 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.984 -0.164 17850 11009 1 13 . 1 1 124 124 ASP H H 124 8.272 8.272 8.049 0.223 17850 11010 1 13 . 1 1 125 125 MET N N 125 119.365 119.365 118.539 0.826 17850 11011 1 13 . 1 1 125 125 MET HA H 125 4.091 4.091 4.052 0.039 17850 11012 1 13 . 1 1 125 125 MET C C 125 178.021 178.021 178.050 -0.029 17850 11013 1 13 . 1 1 125 125 MET CA C 125 59.205 59.205 58.482 0.723 17850 11014 1 13 . 1 1 125 125 MET CB C 125 33.281 33.281 31.819 1.462 17850 11015 1 13 . 1 1 125 125 MET H H 125 7.750 7.750 8.924 -1.174 17850 11016 1 13 . 1 1 126 126 LEU N N 126 117.193 117.193 117.840 -0.647 17850 11017 1 13 . 1 1 126 126 LEU HA H 126 3.924 3.924 4.025 -0.101 17850 11018 1 13 . 1 1 126 126 LEU C C 126 180.267 180.267 179.464 0.803 17850 11019 1 13 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.563 0.239 17850 11020 1 13 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.279 0.335 17850 11021 1 13 . 1 1 126 126 LEU H H 126 8.152 8.152 7.684 0.468 17850 11022 1 13 . 1 1 127 127 ARG N N 127 120.792 120.792 117.706 3.086 17850 11023 1 13 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.060 -0.019 17850 11024 1 13 . 1 1 127 127 ARG C C 127 178.027 178.027 177.495 0.532 17850 11025 1 13 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.615 0.666 17850 11026 1 13 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.619 -0.620 17850 11027 1 13 . 1 1 127 127 ARG H H 127 8.335 8.335 7.584 0.751 17850 11028 1 13 . 1 1 128 128 GLU N N 128 117.142 117.142 109.711 7.431 17850 11029 1 13 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.666 -0.560 17850 11030 1 13 . 1 1 128 128 GLU C C 128 178.618 178.618 176.296 2.322 17850 11031 1 13 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.907 3.298 17850 11032 1 13 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.083 0.311 17850 11033 1 13 . 1 1 128 128 GLU H H 128 7.667 7.667 8.243 -0.576 17850 11034 1 13 . 1 1 129 129 VAL N N 129 108.345 108.345 118.786 -10.441 17850 11035 1 13 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.187 0.300 17850 11036 1 13 . 1 1 129 129 VAL C C 129 175.591 175.591 176.443 -0.852 17850 11037 1 13 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.123 -0.460 17850 11038 1 13 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.412 -0.403 17850 11039 1 13 . 1 1 129 129 VAL H H 129 7.470 7.470 8.044 -0.574 17850 11040 1 13 . 1 1 130 130 SER N N 130 115.012 115.012 118.240 -3.228 17850 11041 1 13 . 1 1 130 130 SER HA H 130 4.670 4.670 4.134 0.536 17850 11042 1 13 . 1 1 130 130 SER C C 130 174.414 174.414 174.384 0.030 17850 11043 1 13 . 1 1 130 130 SER CA C 130 58.067 58.067 59.458 -1.391 17850 11044 1 13 . 1 1 130 130 SER CB C 130 65.814 65.814 61.704 4.110 17850 11045 1 13 . 1 1 130 130 SER H H 130 7.858 7.858 7.882 -0.024 17850 11046 1 13 . 1 1 131 131 ASP N N 131 120.972 120.972 115.991 4.981 17850 11047 1 13 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.249 0.317 17850 11048 1 13 . 1 1 131 131 ASP C C 131 176.676 176.676 175.537 1.139 17850 11049 1 13 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.838 -0.055 17850 11050 1 13 . 1 1 131 131 ASP H H 131 8.478 8.478 8.348 0.130 17850 11051 1 13 . 1 1 132 132 GLY N N 132 105.512 105.512 108.438 -2.926 17850 11052 1 13 . 1 1 132 132 GLY C C 132 174.924 174.924 175.562 -0.638 17850 11053 1 13 . 1 1 132 132 GLY CA C 132 45.670 45.670 45.764 -0.095 17850 11054 1 13 . 1 1 132 132 GLY H H 132 8.352 8.352 7.828 0.524 17850 11055 1 13 . 1 1 133 133 SER N N 133 116.718 116.718 114.293 2.425 17850 11056 1 13 . 1 1 133 133 SER HA H 133 4.435 4.435 4.439 -0.004 17850 11057 1 13 . 1 1 133 133 SER C C 133 175.404 175.404 172.682 2.722 17850 11058 1 13 . 1 1 133 133 SER CA C 133 59.340 59.340 58.239 1.101 17850 11059 1 13 . 1 1 133 133 SER H H 133 8.104 8.104 8.580 -0.476 17850 11060 1 13 . 1 1 134 134 GLY N N 134 109.601 109.601 107.144 2.457 17850 11061 1 13 . 1 1 134 134 GLY C C 134 172.547 172.547 172.698 -0.151 17850 11062 1 13 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.070 2.753 17850 11063 1 13 . 1 1 134 134 GLY H H 134 8.555 8.555 7.431 1.124 17850 11064 1 13 . 1 1 135 135 GLU N N 135 117.166 117.166 112.951 4.215 17850 11065 1 13 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.765 0.262 17850 11066 1 13 . 1 1 135 135 GLU C C 135 175.280 175.280 174.173 1.107 17850 11067 1 13 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.974 -0.238 17850 11068 1 13 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.469 0.405 17850 11069 1 13 . 1 1 135 135 GLU H H 135 7.641 7.641 7.836 -0.195 17850 11070 1 13 . 1 1 136 136 ILE N N 136 114.256 114.256 124.946 -10.690 17850 11071 1 13 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.777 0.299 17850 11072 1 13 . 1 1 136 136 ILE C C 136 175.228 175.228 177.195 -1.967 17850 11073 1 13 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.605 -0.207 17850 11074 1 13 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.768 1.884 17850 11075 1 13 . 1 1 136 136 ILE H H 136 8.565 8.565 8.129 0.436 17850 11076 1 13 . 1 1 137 137 ASN N N 137 121.842 121.842 118.216 3.626 17850 11077 1 13 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.520 1.745 17850 11078 1 13 . 1 1 137 137 ASN C C 137 176.835 176.835 176.436 0.399 17850 11079 1 13 . 1 1 137 137 ASN CA C 137 51.027 51.027 55.104 -4.077 17850 11080 1 13 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.873 1.840 17850 11081 1 13 . 1 1 137 137 ASN H H 137 8.767 8.767 8.114 0.653 17850 11082 1 13 . 1 1 138 138 ILE N N 138 118.075 118.075 118.614 -0.539 17850 11083 1 13 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.806 -0.054 17850 11084 1 13 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.643 0.129 17850 11085 1 13 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.785 0.768 17850 11086 1 13 . 1 1 138 138 ILE H H 138 8.418 8.418 8.389 0.029 17850 11087 1 13 . 1 1 139 139 GLN N N 139 122.926 122.926 119.552 3.374 17850 11088 1 13 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.049 0.077 17850 11089 1 13 . 1 1 139 139 GLN C C 139 179.886 179.886 178.567 1.319 17850 11090 1 13 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.547 1.039 17850 11091 1 13 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.394 -0.609 17850 11092 1 13 . 1 1 139 139 GLN H H 139 7.632 7.632 7.890 -0.258 17850 11093 1 13 . 1 1 140 140 GLN N N 140 121.813 121.813 119.640 2.173 17850 11094 1 13 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.785 0.376 17850 11095 1 13 . 1 1 140 140 GLN C C 140 178.284 178.284 177.699 0.585 17850 11096 1 13 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.913 -0.697 17850 11097 1 13 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.528 -0.090 17850 11098 1 13 . 1 1 140 140 GLN H H 140 8.416 8.416 8.577 -0.161 17850 11099 1 13 . 1 1 141 141 PHE N N 141 121.732 121.732 118.056 3.676 17850 11100 1 13 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.820 0.332 17850 11101 1 13 . 1 1 141 141 PHE C C 141 176.273 176.273 176.253 0.020 17850 11102 1 13 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.223 0.737 17850 11103 1 13 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.151 1.909 17850 11104 1 13 . 1 1 141 141 PHE H H 141 9.030 9.030 7.930 1.100 17850 11105 1 13 . 1 1 142 142 ALA N N 142 119.852 119.852 120.391 -0.539 17850 11106 1 13 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.971 -0.168 17850 11107 1 13 . 1 1 142 142 ALA C C 142 180.733 180.733 179.777 0.956 17850 11108 1 13 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.635 0.575 17850 11109 1 13 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.084 -0.182 17850 11110 1 13 . 1 1 142 142 ALA H H 142 8.399 8.399 7.873 0.526 17850 11111 1 13 . 1 1 143 143 ALA N N 143 120.555 120.555 119.371 1.184 17850 11112 1 13 . 1 1 143 143 ALA HA H 143 4.114 4.114 4.001 0.113 17850 11113 1 13 . 1 1 143 143 ALA C C 143 180.455 180.455 178.412 2.043 17850 11114 1 13 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.513 0.500 17850 11115 1 13 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.165 -1.316 17850 11116 1 13 . 1 1 143 143 ALA H H 143 7.627 7.627 7.260 0.367 17850 11117 1 13 . 1 1 144 144 LEU N N 144 121.054 121.054 114.740 6.314 17850 11118 1 13 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.129 -0.196 17850 11119 1 13 . 1 1 144 144 LEU C C 144 177.756 177.756 177.146 0.610 17850 11120 1 13 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.313 2.383 17850 11121 1 13 . 1 1 144 144 LEU CB C 144 41.838 41.838 40.701 1.137 17850 11122 1 13 . 1 1 144 144 LEU H H 144 8.029 8.029 6.954 1.075 17850 11123 1 13 . 1 1 145 145 LEU N N 145 115.288 115.288 118.670 -3.382 17850 11124 1 13 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.324 -0.350 17850 11125 1 13 . 1 1 145 145 LEU C C 145 177.284 177.284 176.513 0.771 17850 11126 1 13 . 1 1 145 145 LEU CA C 145 55.284 55.284 55.558 -0.274 17850 11127 1 13 . 1 1 145 145 LEU CB C 145 41.610 41.610 43.108 -1.498 17850 11128 1 13 . 1 1 145 145 LEU H H 145 7.309 7.309 8.151 -0.842 17850 11129 1 13 . 1 1 146 146 SER N N 146 114.503 114.503 115.419 -0.916 17850 11130 1 13 . 1 1 146 146 SER HA H 146 4.346 4.346 4.539 -0.193 17850 11131 1 13 . 1 1 146 146 SER C C 146 175.125 175.125 172.676 2.449 17850 11132 1 13 . 1 1 146 146 SER CA C 146 59.046 59.046 58.172 0.875 17850 11133 1 13 . 1 1 146 146 SER CB C 146 64.181 64.181 65.784 -1.603 17850 11134 1 13 . 1 1 146 146 SER H H 146 7.506 7.506 8.108 -0.602 17850 11135 1 13 . 1 1 147 147 LYS N N 147 123.315 123.315 119.732 3.583 17850 11136 1 13 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.038 0.129 17850 11137 1 13 . 1 1 147 147 LYS CA C 147 57.682 57.682 55.655 2.027 17850 11138 1 13 . 1 1 147 147 LYS H H 147 8.329 8.329 7.948 0.381 17850 11139 1 13 . 1 1 148 148 GLY N N 148 108.566 108.566 111.014 -2.448 17850 11140 1 13 . 1 1 148 148 GLY C C 148 174.394 174.394 174.929 -0.535 17850 11141 1 13 . 1 1 148 148 GLY CA C 148 45.528 45.528 47.910 -2.382 17850 11142 1 13 . 1 1 148 148 GLY H H 148 8.353 8.353 8.626 -0.273 17850 11143 1 13 . 1 1 149 149 SER N N 149 115.356 115.356 116.882 -1.526 17850 11144 1 13 . 1 1 149 149 SER HA H 149 4.484 4.484 4.646 -0.162 17850 11145 1 13 . 1 1 149 149 SER C C 149 175.038 175.038 172.751 2.287 17850 11146 1 13 . 1 1 149 149 SER CA C 149 58.418 58.418 58.004 0.414 17850 11147 1 13 . 1 1 149 149 SER CB C 149 64.171 64.171 63.961 0.210 17850 11148 1 13 . 1 1 149 149 SER H H 149 7.993 7.993 8.033 -0.040 17850 11149 1 13 . 1 1 150 150 SER N N 150 118.028 118.028 117.432 0.596 17850 11150 1 13 . 1 1 150 150 SER HA H 150 4.490 4.490 4.651 -0.161 17850 11151 1 13 . 1 1 150 150 SER C C 150 175.034 175.034 173.489 1.545 17850 11152 1 13 . 1 1 150 150 SER CA C 150 59.029 59.029 56.946 2.083 17850 11153 1 13 . 1 1 150 150 SER CB C 150 63.407 63.407 65.994 -2.587 17850 11154 1 13 . 1 1 150 150 SER H H 150 8.530 8.530 8.086 0.444 17850 11155 1 14 . 1 1 1 1 GLY N N 1 109.911 109.911 109.107 0.804 17850 11156 1 14 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.658 0.778 17850 11157 1 14 . 1 1 1 1 GLY H H 1 8.410 8.410 7.851 0.559 17850 11158 1 14 . 1 1 2 2 SER N N 2 115.579 115.579 116.464 -0.885 17850 11159 1 14 . 1 1 2 2 SER HA H 2 4.474 4.474 4.652 -0.178 17850 11160 1 14 . 1 1 2 2 SER C C 2 174.661 174.661 173.687 0.974 17850 11161 1 14 . 1 1 2 2 SER CA C 2 58.374 58.374 57.371 1.003 17850 11162 1 14 . 1 1 2 2 SER CB C 2 63.986 63.986 64.971 -0.985 17850 11163 1 14 . 1 1 2 2 SER H H 2 8.207 8.207 8.250 -0.043 17850 11164 1 14 . 1 1 3 3 SER N N 3 117.154 117.154 115.661 1.493 17850 11165 1 14 . 1 1 3 3 SER HA H 3 4.439 4.439 4.643 -0.204 17850 11166 1 14 . 1 1 3 3 SER C C 3 174.122 174.122 173.015 1.107 17850 11167 1 14 . 1 1 3 3 SER CA C 3 58.695 58.695 58.526 0.169 17850 11168 1 14 . 1 1 3 3 SER CB C 3 63.865 63.865 63.495 0.370 17850 11169 1 14 . 1 1 3 3 SER H H 3 8.337 8.337 8.539 -0.202 17850 11170 1 14 . 1 1 4 4 ASN N N 4 120.145 120.145 118.282 1.863 17850 11171 1 14 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.410 -0.684 17850 11172 1 14 . 1 1 4 4 ASN C C 4 174.741 174.741 175.410 -0.669 17850 11173 1 14 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.636 1.690 17850 11174 1 14 . 1 1 4 4 ASN CB C 4 38.802 38.802 41.063 -2.261 17850 11175 1 14 . 1 1 4 4 ASN H H 4 8.432 8.432 7.863 0.569 17850 11176 1 14 . 1 1 5 5 LEU N N 5 121.341 121.341 119.535 1.806 17850 11177 1 14 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.502 0.177 17850 11178 1 14 . 1 1 5 5 LEU C C 5 177.641 177.641 178.023 -0.382 17850 11179 1 14 . 1 1 5 5 LEU CA C 5 54.465 54.465 53.485 0.980 17850 11180 1 14 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.276 -0.563 17850 11181 1 14 . 1 1 5 5 LEU H H 5 7.966 7.966 9.077 -1.111 17850 11182 1 14 . 1 1 6 6 THR N N 6 113.168 113.168 116.207 -3.039 17850 11183 1 14 . 1 1 6 6 THR HA H 6 4.470 4.470 4.051 0.419 17850 11184 1 14 . 1 1 6 6 THR C C 6 175.390 175.390 176.184 -0.794 17850 11185 1 14 . 1 1 6 6 THR CA C 6 60.543 60.543 64.916 -4.373 17850 11186 1 14 . 1 1 6 6 THR CB C 6 71.190 71.190 68.098 3.092 17850 11187 1 14 . 1 1 6 6 THR H H 6 8.716 8.716 8.901 -0.185 17850 11188 1 14 . 1 1 7 7 GLU N N 7 120.480 120.480 119.392 1.088 17850 11189 1 14 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.161 -0.176 17850 11190 1 14 . 1 1 7 7 GLU C C 7 179.475 179.475 178.561 0.914 17850 11191 1 14 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.407 1.665 17850 11192 1 14 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.634 -0.341 17850 11193 1 14 . 1 1 7 7 GLU H H 7 8.997 8.997 7.812 1.185 17850 11194 1 14 . 1 1 8 8 GLU N N 8 119.766 119.766 118.109 1.657 17850 11195 1 14 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.509 -0.422 17850 11196 1 14 . 1 1 8 8 GLU C C 8 178.641 178.641 179.644 -1.003 17850 11197 1 14 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.608 1.227 17850 11198 1 14 . 1 1 8 8 GLU CB C 8 29.398 29.398 30.342 -0.944 17850 11199 1 14 . 1 1 8 8 GLU H H 8 8.603 8.603 8.238 0.365 17850 11200 1 14 . 1 1 9 9 GLN N N 9 119.234 119.234 119.673 -0.439 17850 11201 1 14 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.299 -0.370 17850 11202 1 14 . 1 1 9 9 GLN C C 9 178.969 178.969 177.961 1.008 17850 11203 1 14 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.673 2.045 17850 11204 1 14 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.606 2.976 17850 11205 1 14 . 1 1 9 9 GLN H H 9 7.730 7.730 8.461 -0.731 17850 11206 1 14 . 1 1 10 10 ILE N N 10 119.661 119.661 118.346 1.315 17850 11207 1 14 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.055 -0.292 17850 11208 1 14 . 1 1 10 10 ILE C C 10 178.040 178.040 177.771 0.269 17850 11209 1 14 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.828 2.393 17850 11210 1 14 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.289 0.663 17850 11211 1 14 . 1 1 10 10 ILE H H 10 8.398 8.398 7.871 0.527 17850 11212 1 14 . 1 1 11 11 ALA N N 11 121.678 121.678 122.975 -1.297 17850 11213 1 14 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.023 0.110 17850 11214 1 14 . 1 1 11 11 ALA C C 11 181.140 181.140 180.060 1.080 17850 11215 1 14 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.341 1.113 17850 11216 1 14 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.749 -0.837 17850 11217 1 14 . 1 1 11 11 ALA H H 11 8.037 8.037 7.883 0.154 17850 11218 1 14 . 1 1 12 12 GLU N N 12 118.175 118.175 118.816 -0.641 17850 11219 1 14 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.211 -0.093 17850 11220 1 14 . 1 1 12 12 GLU C C 12 180.185 180.185 178.984 1.201 17850 11221 1 14 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.584 -0.389 17850 11222 1 14 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.866 0.513 17850 11223 1 14 . 1 1 12 12 GLU H H 12 7.869 7.869 7.554 0.315 17850 11224 1 14 . 1 1 13 13 PHE N N 13 119.011 119.011 119.192 -0.181 17850 11225 1 14 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.088 0.802 17850 11226 1 14 . 1 1 13 13 PHE C C 13 178.486 178.486 178.331 0.155 17850 11227 1 14 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.631 -1.182 17850 11228 1 14 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.330 0.569 17850 11229 1 14 . 1 1 13 13 PHE H H 13 8.429 8.429 7.864 0.565 17850 11230 1 14 . 1 1 14 14 LYS N N 14 123.459 123.459 118.480 4.979 17850 11231 1 14 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.070 -0.038 17850 11232 1 14 . 1 1 14 14 LYS C C 14 179.131 179.131 178.852 0.279 17850 11233 1 14 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.218 1.272 17850 11234 1 14 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.122 -0.209 17850 11235 1 14 . 1 1 14 14 LYS H H 14 8.925 8.925 8.434 0.491 17850 11236 1 14 . 1 1 15 15 GLU N N 15 119.581 119.581 118.311 1.270 17850 11237 1 14 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.327 -0.159 17850 11238 1 14 . 1 1 15 15 GLU C C 15 179.163 179.163 178.116 1.047 17850 11239 1 14 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.049 0.336 17850 11240 1 14 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.425 -0.038 17850 11241 1 14 . 1 1 15 15 GLU H H 15 8.064 8.064 8.023 0.041 17850 11242 1 14 . 1 1 16 16 ALA N N 16 120.993 120.993 121.760 -0.767 17850 11243 1 14 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.394 0.848 17850 11244 1 14 . 1 1 16 16 ALA C C 16 177.628 177.628 178.222 -0.594 17850 11245 1 14 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.782 2.403 17850 11246 1 14 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.546 -1.622 17850 11247 1 14 . 1 1 16 16 ALA H H 16 7.801 7.801 7.801 0.000 17850 11248 1 14 . 1 1 17 17 PHE N N 17 118.745 118.745 119.430 -0.685 17850 11249 1 14 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.348 -0.994 17850 11250 1 14 . 1 1 17 17 PHE C C 17 177.500 177.500 176.715 0.785 17850 11251 1 14 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.081 1.619 17850 11252 1 14 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.073 1.905 17850 11253 1 14 . 1 1 17 17 PHE H H 17 8.469 8.469 7.967 0.502 17850 11254 1 14 . 1 1 18 18 ALA N N 18 119.942 119.942 117.756 2.186 17850 11255 1 14 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.715 0.295 17850 11256 1 14 . 1 1 18 18 ALA C C 18 178.535 178.535 178.375 0.160 17850 11257 1 14 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.169 0.247 17850 11258 1 14 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.317 0.170 17850 11259 1 14 . 1 1 18 18 ALA H H 18 8.187 8.187 7.094 1.093 17850 11260 1 14 . 1 1 19 19 LEU N N 19 116.851 116.851 114.187 2.664 17850 11261 1 14 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.378 -0.418 17850 11262 1 14 . 1 1 19 19 LEU C C 19 176.795 176.795 177.369 -0.574 17850 11263 1 14 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.565 2.870 17850 11264 1 14 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.962 -1.280 17850 11265 1 14 . 1 1 19 19 LEU H H 19 7.254 7.254 7.217 0.037 17850 11266 1 14 . 1 1 20 20 PHE N N 20 111.977 111.977 121.332 -9.355 17850 11267 1 14 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.277 -0.018 17850 11268 1 14 . 1 1 20 20 PHE C C 20 177.033 177.033 176.783 0.250 17850 11269 1 14 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.029 -0.373 17850 11270 1 14 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.486 4.678 17850 11271 1 14 . 1 1 20 20 PHE H H 20 7.041 7.041 7.925 -0.884 17850 11272 1 14 . 1 1 21 21 ASP N N 21 116.981 116.981 125.421 -8.440 17850 11273 1 14 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.413 0.172 17850 11274 1 14 . 1 1 21 21 ASP C C 21 177.297 177.297 177.564 -0.267 17850 11275 1 14 . 1 1 21 21 ASP CA C 21 52.671 52.671 55.962 -3.291 17850 11276 1 14 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.426 -1.424 17850 11277 1 14 . 1 1 21 21 ASP H H 21 7.567 7.567 8.247 -0.680 17850 11278 1 14 . 1 1 22 22 LYS N N 22 124.748 124.748 116.553 8.195 17850 11279 1 14 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.163 -0.171 17850 11280 1 14 . 1 1 22 22 LYS C C 22 177.866 177.866 176.301 1.565 17850 11281 1 14 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.551 1.682 17850 11282 1 14 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.528 0.099 17850 11283 1 14 . 1 1 22 22 LYS H H 22 7.820 7.820 8.160 -0.340 17850 11284 1 14 . 1 1 23 23 ASP N N 23 114.211 114.211 117.870 -3.659 17850 11285 1 14 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.456 0.147 17850 11286 1 14 . 1 1 23 23 ASP C C 23 176.266 176.266 175.477 0.789 17850 11287 1 14 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.686 -2.039 17850 11288 1 14 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.346 -0.063 17850 11289 1 14 . 1 1 23 23 ASP H H 23 8.025 8.025 8.478 -0.453 17850 11290 1 14 . 1 1 24 24 ASN N N 24 115.587 115.587 117.454 -1.867 17850 11291 1 14 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.740 -0.351 17850 11292 1 14 . 1 1 24 24 ASN C C 24 174.828 174.828 176.104 -1.276 17850 11293 1 14 . 1 1 24 24 ASN CA C 24 54.507 54.507 51.904 2.603 17850 11294 1 14 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.588 -0.557 17850 11295 1 14 . 1 1 24 24 ASN H H 24 7.962 7.962 8.432 -0.470 17850 11296 1 14 . 1 1 25 25 ASN N N 25 117.385 117.385 118.062 -0.677 17850 11297 1 14 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.593 0.255 17850 11298 1 14 . 1 1 25 25 ASN C C 25 177.553 177.553 174.264 3.289 17850 11299 1 14 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.345 -1.030 17850 11300 1 14 . 1 1 25 25 ASN H H 25 8.489 8.489 8.001 0.488 17850 11301 1 14 . 1 1 26 26 GLY N N 26 113.934 113.934 107.419 6.515 17850 11302 1 14 . 1 1 26 26 GLY C C 26 173.371 173.371 173.613 -0.242 17850 11303 1 14 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.250 0.288 17850 11304 1 14 . 1 1 26 26 GLY H H 26 10.580 10.580 8.397 2.183 17850 11305 1 14 . 1 1 27 27 SER N N 27 113.842 113.842 122.179 -8.337 17850 11306 1 14 . 1 1 27 27 SER HA H 27 5.358 5.358 4.418 0.940 17850 11307 1 14 . 1 1 27 27 SER C C 27 172.645 172.645 174.471 -1.826 17850 11308 1 14 . 1 1 27 27 SER CA C 27 57.474 57.474 57.736 -0.262 17850 11309 1 14 . 1 1 27 27 SER CB C 27 66.576 66.576 63.130 3.446 17850 11310 1 14 . 1 1 27 27 SER H H 27 7.793 7.793 8.897 -1.104 17850 11311 1 14 . 1 1 28 28 ILE N N 28 127.597 127.597 127.756 -0.159 17850 11312 1 14 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.193 0.632 17850 11313 1 14 . 1 1 28 28 ILE C C 28 175.890 175.890 177.458 -1.568 17850 11314 1 14 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.092 0.084 17850 11315 1 14 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.864 -0.770 17850 11316 1 14 . 1 1 28 28 ILE H H 28 9.787 9.787 8.063 1.724 17850 11317 1 14 . 1 1 29 29 SER N N 29 124.860 124.860 118.704 6.156 17850 11318 1 14 . 1 1 29 29 SER HA H 29 4.813 4.813 4.090 0.723 17850 11319 1 14 . 1 1 29 29 SER C C 29 175.477 175.477 176.510 -1.033 17850 11320 1 14 . 1 1 29 29 SER CA C 29 56.583 56.583 61.178 -4.595 17850 11321 1 14 . 1 1 29 29 SER CB C 29 66.269 66.269 62.494 3.775 17850 11322 1 14 . 1 1 29 29 SER H H 29 9.320 9.320 8.561 0.759 17850 11323 1 14 . 1 1 30 30 SER N N 30 117.383 117.383 116.171 1.212 17850 11324 1 14 . 1 1 30 30 SER HA H 30 4.141 4.141 4.401 -0.260 17850 11325 1 14 . 1 1 30 30 SER C C 30 176.531 176.531 175.497 1.034 17850 11326 1 14 . 1 1 30 30 SER CA C 30 62.690 62.690 60.786 1.904 17850 11327 1 14 . 1 1 30 30 SER CB C 30 62.264 62.264 63.412 -1.148 17850 11328 1 14 . 1 1 30 30 SER H H 30 9.554 9.554 8.090 1.464 17850 11329 1 14 . 1 1 31 31 SER N N 31 116.232 116.232 115.113 1.119 17850 11330 1 14 . 1 1 31 31 SER HA H 31 4.309 4.309 4.421 -0.112 17850 11331 1 14 . 1 1 31 31 SER C C 31 178.017 178.017 175.412 2.605 17850 11332 1 14 . 1 1 31 31 SER CA C 31 61.332 61.332 59.563 1.769 17850 11333 1 14 . 1 1 31 31 SER CB C 31 62.512 62.512 63.793 -1.281 17850 11334 1 14 . 1 1 31 31 SER H H 31 8.141 8.141 8.107 0.034 17850 11335 1 14 . 1 1 32 32 GLU N N 32 125.663 125.663 119.904 5.759 17850 11336 1 14 . 1 1 32 32 GLU HA H 32 4.053 4.053 3.921 0.132 17850 11337 1 14 . 1 1 32 32 GLU C C 32 179.222 179.222 177.244 1.978 17850 11338 1 14 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.506 0.193 17850 11339 1 14 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.614 -0.362 17850 11340 1 14 . 1 1 32 32 GLU H H 32 7.947 7.947 8.574 -0.627 17850 11341 1 14 . 1 1 33 33 LEU N N 33 120.624 120.624 117.938 2.686 17850 11342 1 14 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.078 0.090 17850 11343 1 14 . 1 1 33 33 LEU C C 33 178.493 178.493 178.743 -0.250 17850 11344 1 14 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.402 1.505 17850 11345 1 14 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.194 1.123 17850 11346 1 14 . 1 1 33 33 LEU H H 33 8.424 8.424 7.757 0.667 17850 11347 1 14 . 1 1 34 34 ALA N N 34 119.635 119.635 121.090 -1.455 17850 11348 1 14 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.044 -0.220 17850 11349 1 14 . 1 1 34 34 ALA C C 34 179.360 179.360 178.847 0.513 17850 11350 1 14 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.089 -0.493 17850 11351 1 14 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.730 -0.053 17850 11352 1 14 . 1 1 34 34 ALA H H 34 8.410 8.410 8.052 0.358 17850 11353 1 14 . 1 1 35 35 THR N N 35 114.602 114.602 117.228 -2.626 17850 11354 1 14 . 1 1 35 35 THR HA H 35 3.886 3.886 3.967 -0.081 17850 11355 1 14 . 1 1 35 35 THR C C 35 177.278 177.278 176.079 1.199 17850 11356 1 14 . 1 1 35 35 THR CA C 35 67.317 67.317 65.977 1.340 17850 11357 1 14 . 1 1 35 35 THR CB C 35 68.774 68.774 68.837 -0.063 17850 11358 1 14 . 1 1 35 35 THR H H 35 8.263 8.263 7.954 0.309 17850 11359 1 14 . 1 1 36 36 VAL N N 36 122.295 122.295 117.832 4.463 17850 11360 1 14 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.611 -0.006 17850 11361 1 14 . 1 1 36 36 VAL C C 36 178.653 178.653 178.331 0.322 17850 11362 1 14 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.083 0.655 17850 11363 1 14 . 1 1 36 36 VAL CB C 36 31.303 31.303 30.508 0.795 17850 11364 1 14 . 1 1 36 36 VAL H H 36 7.790 7.790 7.686 0.104 17850 11365 1 14 . 1 1 37 37 MET N N 37 117.677 117.677 117.393 0.284 17850 11366 1 14 . 1 1 37 37 MET HA H 37 3.642 3.642 4.376 -0.734 17850 11367 1 14 . 1 1 37 37 MET C C 37 178.172 178.172 179.200 -1.028 17850 11368 1 14 . 1 1 37 37 MET CA C 37 60.506 60.506 58.194 2.312 17850 11369 1 14 . 1 1 37 37 MET CB C 37 32.347 32.347 31.604 0.743 17850 11370 1 14 . 1 1 37 37 MET H H 37 8.081 8.081 7.943 0.138 17850 11371 1 14 . 1 1 38 38 ARG N N 38 118.309 118.309 121.407 -3.098 17850 11372 1 14 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.026 0.662 17850 11373 1 14 . 1 1 38 38 ARG C C 38 181.486 181.486 177.616 3.870 17850 11374 1 14 . 1 1 38 38 ARG CA C 38 59.101 59.101 59.150 -0.049 17850 11375 1 14 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.297 0.715 17850 11376 1 14 . 1 1 38 38 ARG H H 38 8.547 8.547 7.479 1.068 17850 11377 1 14 . 1 1 39 39 SER N N 39 119.250 119.250 110.002 9.248 17850 11378 1 14 . 1 1 39 39 SER HA H 39 4.301 4.301 4.158 0.143 17850 11379 1 14 . 1 1 39 39 SER C C 39 174.899 174.899 175.557 -0.658 17850 11380 1 14 . 1 1 39 39 SER CA C 39 61.925 61.925 59.127 2.799 17850 11381 1 14 . 1 1 39 39 SER CB C 39 62.773 62.773 63.332 -0.559 17850 11382 1 14 . 1 1 39 39 SER H H 39 8.226 8.226 7.921 0.305 17850 11383 1 14 . 1 1 40 40 LEU N N 40 119.516 119.516 117.814 1.702 17850 11384 1 14 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.123 0.147 17850 11385 1 14 . 1 1 40 40 LEU C C 40 176.681 176.681 176.587 0.094 17850 11386 1 14 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.262 0.321 17850 11387 1 14 . 1 1 40 40 LEU H H 40 7.343 7.343 7.790 -0.447 17850 11388 1 14 . 1 1 41 41 GLY N N 41 105.983 105.983 107.846 -1.863 17850 11389 1 14 . 1 1 41 41 GLY C C 41 174.471 174.471 174.930 -0.459 17850 11390 1 14 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.729 0.510 17850 11391 1 14 . 1 1 41 41 GLY H H 41 7.858 7.858 8.137 -0.279 17850 11392 1 14 . 1 1 42 42 LEU N N 42 120.442 120.442 117.614 2.828 17850 11393 1 14 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.513 -0.042 17850 11394 1 14 . 1 1 42 42 LEU C C 42 175.965 175.965 174.808 1.157 17850 11395 1 14 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.013 1.232 17850 11396 1 14 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.530 0.001 17850 11397 1 14 . 1 1 42 42 LEU H H 42 7.707 7.707 8.224 -0.517 17850 11398 1 14 . 1 1 43 43 SER HA H 43 4.798 4.798 4.634 0.164 17850 11399 1 14 . 1 1 43 43 SER CA C 43 54.912 54.912 57.485 -2.573 17850 11400 1 14 . 1 1 43 43 SER CB C 43 63.197 63.197 63.791 -0.594 17850 11401 1 14 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.620 0.172 17850 11402 1 14 . 1 1 44 44 PRO CA C 44 61.881 61.881 61.888 -0.007 17850 11403 1 14 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.960 -1.760 17850 11404 1 14 . 1 1 45 45 SER N N 45 119.898 119.898 122.026 -2.128 17850 11405 1 14 . 1 1 45 45 SER HA H 45 4.611 4.611 4.035 0.576 17850 11406 1 14 . 1 1 45 45 SER C C 45 174.913 174.913 176.206 -1.293 17850 11407 1 14 . 1 1 45 45 SER CA C 45 56.689 56.689 61.627 -4.938 17850 11408 1 14 . 1 1 45 45 SER CB C 45 65.502 65.502 63.319 2.183 17850 11409 1 14 . 1 1 45 45 SER H H 45 9.387 9.387 9.093 0.294 17850 11410 1 14 . 1 1 46 46 GLU N N 46 121.468 121.468 118.262 3.206 17850 11411 1 14 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.175 -0.236 17850 11412 1 14 . 1 1 46 46 GLU C C 46 179.002 179.002 178.831 0.171 17850 11413 1 14 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.294 0.841 17850 11414 1 14 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.802 0.545 17850 11415 1 14 . 1 1 46 46 GLU H H 46 8.913 8.913 8.550 0.363 17850 11416 1 14 . 1 1 47 47 ALA N N 47 121.115 121.115 121.690 -0.575 17850 11417 1 14 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.091 0.061 17850 11418 1 14 . 1 1 47 47 ALA C C 47 179.962 179.962 180.111 -0.149 17850 11419 1 14 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.439 0.679 17850 11420 1 14 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.125 -0.770 17850 11421 1 14 . 1 1 47 47 ALA H H 47 8.324 8.324 7.644 0.680 17850 11422 1 14 . 1 1 48 48 GLU N N 48 118.713 118.713 120.191 -1.478 17850 11423 1 14 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.810 0.294 17850 11424 1 14 . 1 1 48 48 GLU C C 48 179.558 179.558 178.165 1.393 17850 11425 1 14 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.293 -2.075 17850 11426 1 14 . 1 1 48 48 GLU CB C 48 29.904 29.904 29.088 0.816 17850 11427 1 14 . 1 1 48 48 GLU H H 48 7.756 7.756 8.960 -1.204 17850 11428 1 14 . 1 1 49 49 VAL N N 49 119.108 119.108 119.686 -0.578 17850 11429 1 14 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.875 -0.411 17850 11430 1 14 . 1 1 49 49 VAL C C 49 177.505 177.505 177.632 -0.127 17850 11431 1 14 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.625 1.846 17850 11432 1 14 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.310 0.131 17850 11433 1 14 . 1 1 49 49 VAL H H 49 8.129 8.129 7.692 0.437 17850 11434 1 14 . 1 1 50 50 ASN N N 50 117.942 117.942 119.034 -1.092 17850 11435 1 14 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.510 -0.122 17850 11436 1 14 . 1 1 50 50 ASN C C 50 177.275 177.275 177.137 0.138 17850 11437 1 14 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.576 1.205 17850 11438 1 14 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.517 -0.119 17850 11439 1 14 . 1 1 50 50 ASN H H 50 8.071 8.071 7.683 0.388 17850 11440 1 14 . 1 1 51 51 ASP N N 51 120.669 120.669 119.074 1.595 17850 11441 1 14 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.562 -0.071 17850 11442 1 14 . 1 1 51 51 ASP C C 51 179.203 179.203 178.258 0.945 17850 11443 1 14 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.463 1.132 17850 11444 1 14 . 1 1 51 51 ASP CB C 51 40.314 40.314 40.906 -0.592 17850 11445 1 14 . 1 1 51 51 ASP H H 51 8.364 8.364 8.292 0.072 17850 11446 1 14 . 1 1 52 52 LEU N N 52 122.409 122.409 117.881 4.528 17850 11447 1 14 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.028 0.042 17850 11448 1 14 . 1 1 52 52 LEU C C 52 179.017 179.017 177.933 1.084 17850 11449 1 14 . 1 1 52 52 LEU CA C 52 58.457 58.457 58.014 0.443 17850 11450 1 14 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.624 0.457 17850 11451 1 14 . 1 1 52 52 LEU H H 52 8.018 8.018 8.625 -0.607 17850 11452 1 14 . 1 1 53 53 MET N N 53 117.391 117.391 117.624 -0.233 17850 11453 1 14 . 1 1 53 53 MET HA H 53 4.112 4.112 4.442 -0.330 17850 11454 1 14 . 1 1 53 53 MET CA C 53 57.472 57.472 57.343 0.129 17850 11455 1 14 . 1 1 53 53 MET CB C 53 30.021 30.021 33.003 -2.982 17850 11456 1 14 . 1 1 53 53 MET H H 53 8.562 8.562 8.449 0.113 17850 11457 1 14 . 1 1 54 54 ASN N N 54 115.554 115.554 116.171 -0.617 17850 11458 1 14 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.669 -0.111 17850 11459 1 14 . 1 1 54 54 ASN C C 54 176.801 176.801 175.460 1.341 17850 11460 1 14 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.158 1.139 17850 11461 1 14 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.876 -0.719 17850 11462 1 14 . 1 1 54 54 ASN H H 54 8.204 8.204 7.716 0.488 17850 11463 1 14 . 1 1 55 55 GLU N N 55 117.659 117.659 115.824 1.835 17850 11464 1 14 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.439 -0.237 17850 11465 1 14 . 1 1 55 55 GLU C C 55 177.093 177.093 177.031 0.062 17850 11466 1 14 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.659 2.168 17850 11467 1 14 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.489 -0.469 17850 11468 1 14 . 1 1 55 55 GLU H H 55 7.617 7.617 7.343 0.274 17850 11469 1 14 . 1 1 56 56 ILE N N 56 117.618 117.618 123.602 -5.984 17850 11470 1 14 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.209 -0.325 17850 11471 1 14 . 1 1 56 56 ILE C C 56 176.029 176.029 177.024 -0.995 17850 11472 1 14 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.010 -0.196 17850 11473 1 14 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.377 1.552 17850 11474 1 14 . 1 1 56 56 ILE H H 56 7.472 7.472 7.949 -0.477 17850 11475 1 14 . 1 1 57 57 ASP N N 57 118.636 118.636 124.716 -6.080 17850 11476 1 14 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.588 -0.176 17850 11477 1 14 . 1 1 57 57 ASP C C 57 175.691 175.691 176.378 -0.687 17850 11478 1 14 . 1 1 57 57 ASP CA C 57 54.533 54.533 54.636 -0.103 17850 11479 1 14 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.903 0.342 17850 11480 1 14 . 1 1 57 57 ASP H H 57 8.304 8.304 8.109 0.195 17850 11481 1 14 . 1 1 58 58 VAL N N 58 126.376 126.376 117.535 8.841 17850 11482 1 14 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.159 -0.165 17850 11483 1 14 . 1 1 58 58 VAL C C 58 177.258 177.258 176.745 0.513 17850 11484 1 14 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.899 2.435 17850 11485 1 14 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.493 0.813 17850 11486 1 14 . 1 1 58 58 VAL H H 58 7.926 7.926 7.402 0.524 17850 11487 1 14 . 1 1 59 59 ASP N N 59 117.093 117.093 119.955 -2.862 17850 11488 1 14 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.280 0.277 17850 11489 1 14 . 1 1 59 59 ASP C C 59 177.759 177.759 176.974 0.785 17850 11490 1 14 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.967 -1.091 17850 11491 1 14 . 1 1 59 59 ASP H H 59 8.363 8.363 8.525 -0.162 17850 11492 1 14 . 1 1 60 60 GLY N N 60 108.290 108.290 108.577 -0.287 17850 11493 1 14 . 1 1 60 60 GLY C C 60 174.700 174.700 174.754 -0.054 17850 11494 1 14 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.772 3.348 17850 11495 1 14 . 1 1 60 60 GLY H H 60 7.636 7.636 8.902 -1.266 17850 11496 1 14 . 1 1 61 61 ASN N N 61 118.884 118.884 116.663 2.221 17850 11497 1 14 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.282 0.247 17850 11498 1 14 . 1 1 61 61 ASN C C 61 175.856 175.856 173.118 2.738 17850 11499 1 14 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.906 -2.546 17850 11500 1 14 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.887 0.290 17850 11501 1 14 . 1 1 61 61 ASN H H 61 8.078 8.078 8.216 -0.138 17850 11502 1 14 . 1 1 62 62 HIS N N 62 117.381 117.381 111.697 5.684 17850 11503 1 14 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.077 -1.200 17850 11504 1 14 . 1 1 62 62 HIS C C 62 172.310 172.310 173.051 -0.741 17850 11505 1 14 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.421 1.952 17850 11506 1 14 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.691 -8.957 17850 11507 1 14 . 1 1 62 62 HIS H H 62 9.958 9.958 8.131 1.827 17850 11508 1 14 . 1 1 63 63 GLN N N 63 112.906 112.906 118.419 -5.513 17850 11509 1 14 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.739 0.093 17850 11510 1 14 . 1 1 63 63 GLN C C 63 174.861 174.861 175.932 -1.071 17850 11511 1 14 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.198 -0.323 17850 11512 1 14 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.474 1.676 17850 11513 1 14 . 1 1 63 63 GLN H H 63 7.535 7.535 8.079 -0.544 17850 11514 1 14 . 1 1 64 64 ILE N N 64 124.083 124.083 127.254 -3.171 17850 11515 1 14 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.713 0.359 17850 11516 1 14 . 1 1 64 64 ILE C C 64 176.670 176.670 176.765 -0.095 17850 11517 1 14 . 1 1 64 64 ILE CA C 64 59.671 59.671 60.100 -0.429 17850 11518 1 14 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.621 -1.454 17850 11519 1 14 . 1 1 64 64 ILE H H 64 9.274 9.274 8.114 1.160 17850 11520 1 14 . 1 1 65 65 GLU N N 65 129.276 129.276 121.405 7.871 17850 11521 1 14 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.610 2.430 17850 11522 1 14 . 1 1 65 65 GLU C C 65 178.156 178.156 176.641 1.515 17850 11523 1 14 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.358 0.490 17850 11524 1 14 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.606 1.574 17850 11525 1 14 . 1 1 65 65 GLU H H 65 8.848 8.848 9.117 -0.269 17850 11526 1 14 . 1 1 66 66 PHE N N 66 124.260 124.260 118.402 5.858 17850 11527 1 14 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.959 -0.269 17850 11528 1 14 . 1 1 66 66 PHE C C 66 177.294 177.294 176.837 0.457 17850 11529 1 14 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.605 1.415 17850 11530 1 14 . 1 1 66 66 PHE CB C 66 37.954 37.954 39.088 -1.134 17850 11531 1 14 . 1 1 66 66 PHE H H 66 9.353 9.353 8.322 1.031 17850 11532 1 14 . 1 1 67 67 SER N N 67 112.827 112.827 118.118 -5.291 17850 11533 1 14 . 1 1 67 67 SER HA H 67 3.726 3.726 4.045 -0.319 17850 11534 1 14 . 1 1 67 67 SER C C 67 177.352 177.352 176.388 0.964 17850 11535 1 14 . 1 1 67 67 SER CA C 67 61.581 61.581 61.124 0.457 17850 11536 1 14 . 1 1 67 67 SER CB C 67 61.379 61.379 62.928 -1.549 17850 11537 1 14 . 1 1 67 67 SER H H 67 9.035 9.035 7.991 1.044 17850 11538 1 14 . 1 1 68 68 GLU N N 68 123.071 123.071 119.925 3.146 17850 11539 1 14 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.988 0.147 17850 11540 1 14 . 1 1 68 68 GLU C C 68 178.895 178.895 178.035 0.860 17850 11541 1 14 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.129 -2.151 17850 11542 1 14 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.111 -0.834 17850 11543 1 14 . 1 1 68 68 GLU H H 68 6.829 6.829 8.444 -1.615 17850 11544 1 14 . 1 1 69 69 PHE N N 69 123.805 123.805 116.881 6.924 17850 11545 1 14 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.998 -0.099 17850 11546 1 14 . 1 1 69 69 PHE C C 69 176.325 176.325 176.609 -0.284 17850 11547 1 14 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.278 1.148 17850 11548 1 14 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.683 2.745 17850 11549 1 14 . 1 1 69 69 PHE H H 69 8.245 8.245 7.402 0.843 17850 11550 1 14 . 1 1 70 70 LEU N N 70 119.210 119.210 119.154 0.056 17850 11551 1 14 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.983 -0.747 17850 11552 1 14 . 1 1 70 70 LEU C C 70 179.131 179.131 178.149 0.982 17850 11553 1 14 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.735 0.742 17850 11554 1 14 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.189 0.139 17850 11555 1 14 . 1 1 70 70 LEU H H 70 8.788 8.788 7.750 1.038 17850 11556 1 14 . 1 1 71 71 ALA N N 71 121.612 121.612 121.492 0.120 17850 11557 1 14 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.020 -0.111 17850 11558 1 14 . 1 1 71 71 ALA C C 71 179.804 179.804 179.612 0.192 17850 11559 1 14 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.721 0.395 17850 11560 1 14 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.598 -0.836 17850 11561 1 14 . 1 1 71 71 ALA H H 71 7.365 7.365 7.337 0.028 17850 11562 1 14 . 1 1 72 72 LEU N N 72 118.944 118.944 120.265 -1.321 17850 11563 1 14 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.941 0.023 17850 11564 1 14 . 1 1 72 72 LEU C C 72 178.415 178.415 179.326 -0.911 17850 11565 1 14 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.569 0.248 17850 11566 1 14 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.450 0.018 17850 11567 1 14 . 1 1 72 72 LEU H H 72 7.142 7.142 7.570 -0.428 17850 11568 1 14 . 1 1 73 73 MET N N 73 114.500 114.500 117.630 -3.130 17850 11569 1 14 . 1 1 73 73 MET HA H 73 3.978 3.978 4.369 -0.391 17850 11570 1 14 . 1 1 73 73 MET C C 73 178.283 178.283 176.959 1.324 17850 11571 1 14 . 1 1 73 73 MET CA C 73 55.701 55.701 57.259 -1.558 17850 11572 1 14 . 1 1 73 73 MET CB C 73 30.742 30.742 32.626 -1.884 17850 11573 1 14 . 1 1 73 73 MET H H 73 7.726 7.726 7.707 0.019 17850 11574 1 14 . 1 1 74 74 SER N N 74 112.626 112.626 113.885 -1.259 17850 11575 1 14 . 1 1 74 74 SER HA H 74 4.287 4.287 4.609 -0.322 17850 11576 1 14 . 1 1 74 74 SER C C 74 174.717 174.717 174.294 0.423 17850 11577 1 14 . 1 1 74 74 SER CA C 74 59.582 59.582 58.029 1.553 17850 11578 1 14 . 1 1 74 74 SER CB C 74 63.746 63.746 63.144 0.602 17850 11579 1 14 . 1 1 74 74 SER H H 74 7.857 7.857 7.434 0.423 17850 11580 1 14 . 1 1 75 75 ARG N N 75 122.130 122.130 118.956 3.174 17850 11581 1 14 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.405 -0.258 17850 11582 1 14 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.718 2.057 17850 11583 1 14 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.567 -1.901 17850 11584 1 14 . 1 1 75 75 ARG H H 75 7.208 7.208 7.642 -0.434 17850 11585 1 14 . 1 1 76 76 GLN N N 76 121.749 121.749 118.630 3.119 17850 11586 1 14 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.705 -0.421 17850 11587 1 14 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.060 1.133 17850 11588 1 14 . 1 1 76 76 GLN CB C 76 29.057 29.057 29.282 -0.225 17850 11589 1 14 . 1 1 76 76 GLN H H 76 8.327 8.327 7.575 0.752 17850 11590 1 14 . 1 1 77 77 LEU N N 77 124.093 124.093 124.156 -0.063 17850 11591 1 14 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.448 -0.009 17850 11592 1 14 . 1 1 77 77 LEU C C 77 177.670 177.670 176.422 1.248 17850 11593 1 14 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.383 -0.100 17850 11594 1 14 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.434 -0.654 17850 11595 1 14 . 1 1 77 77 LEU H H 77 8.264 8.264 8.682 -0.418 17850 11596 1 14 . 1 1 78 78 LYS N N 78 121.053 121.053 118.879 2.174 17850 11597 1 14 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.499 -0.092 17850 11598 1 14 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.856 -0.671 17850 11599 1 14 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.406 -0.129 17850 11600 1 14 . 1 1 78 78 LYS H H 78 8.433 8.433 8.233 0.200 17850 11601 1 14 . 1 1 79 79 SER N N 79 116.423 116.423 119.150 -2.727 17850 11602 1 14 . 1 1 79 79 SER HA H 79 4.321 4.321 4.564 -0.243 17850 11603 1 14 . 1 1 79 79 SER C C 79 175.145 175.145 173.906 1.239 17850 11604 1 14 . 1 1 79 79 SER CA C 79 59.795 59.795 58.364 1.431 17850 11605 1 14 . 1 1 79 79 SER CB C 79 63.226 63.226 62.058 1.168 17850 11606 1 14 . 1 1 79 79 SER H H 79 8.448 8.448 8.616 -0.168 17850 11607 1 14 . 1 1 80 80 ASN N N 80 119.581 119.581 119.626 -0.045 17850 11608 1 14 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.559 0.140 17850 11609 1 14 . 1 1 80 80 ASN C C 80 175.726 175.726 176.920 -1.194 17850 11610 1 14 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.421 -1.008 17850 11611 1 14 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.498 0.090 17850 11612 1 14 . 1 1 80 80 ASN H H 80 8.513 8.513 7.908 0.605 17850 11613 1 14 . 1 1 81 81 ASP N N 81 120.378 120.378 121.458 -1.080 17850 11614 1 14 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.110 0.520 17850 11615 1 14 . 1 1 81 81 ASP C C 81 177.281 177.281 178.124 -0.843 17850 11616 1 14 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.644 -2.051 17850 11617 1 14 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.491 1.115 17850 11618 1 14 . 1 1 81 81 ASP H H 81 7.957 7.957 8.624 -0.667 17850 11619 1 14 . 1 1 82 82 SER N N 82 117.046 117.046 116.480 0.566 17850 11620 1 14 . 1 1 82 82 SER HA H 82 4.194 4.194 3.973 0.221 17850 11621 1 14 . 1 1 82 82 SER C C 82 176.745 176.745 176.561 0.184 17850 11622 1 14 . 1 1 82 82 SER CA C 82 61.376 61.376 61.782 -0.406 17850 11623 1 14 . 1 1 82 82 SER CB C 82 62.896 62.896 62.739 0.157 17850 11624 1 14 . 1 1 82 82 SER H H 82 8.469 8.469 8.685 -0.216 17850 11625 1 14 . 1 1 83 83 GLU N N 83 122.405 122.405 119.076 3.329 17850 11626 1 14 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.042 0.058 17850 11627 1 14 . 1 1 83 83 GLU C C 83 178.740 178.740 178.934 -0.194 17850 11628 1 14 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.841 -0.376 17850 11629 1 14 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.210 0.194 17850 11630 1 14 . 1 1 83 83 GLU H H 83 8.357 8.357 7.777 0.580 17850 11631 1 14 . 1 1 84 84 GLN N N 84 118.604 118.604 119.016 -0.412 17850 11632 1 14 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.123 -0.014 17850 11633 1 14 . 1 1 84 84 GLN C C 84 178.533 178.533 178.617 -0.084 17850 11634 1 14 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.387 0.080 17850 11635 1 14 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.041 0.380 17850 11636 1 14 . 1 1 84 84 GLN H H 84 7.988 7.988 8.314 -0.326 17850 11637 1 14 . 1 1 85 85 GLU N N 85 119.418 119.418 119.836 -0.418 17850 11638 1 14 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.119 -0.177 17850 11639 1 14 . 1 1 85 85 GLU C C 85 178.250 178.250 179.068 -0.818 17850 11640 1 14 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.611 0.513 17850 11641 1 14 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.217 0.355 17850 11642 1 14 . 1 1 85 85 GLU H H 85 8.228 8.228 7.943 0.285 17850 11643 1 14 . 1 1 86 86 LEU N N 86 120.010 120.010 117.555 2.455 17850 11644 1 14 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.144 0.015 17850 11645 1 14 . 1 1 86 86 LEU C C 86 178.534 178.534 179.178 -0.644 17850 11646 1 14 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.672 -0.465 17850 11647 1 14 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.900 0.726 17850 11648 1 14 . 1 1 86 86 LEU H H 86 7.797 7.797 8.319 -0.522 17850 11649 1 14 . 1 1 87 87 LEU N N 87 119.111 119.111 119.826 -0.715 17850 11650 1 14 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.051 0.053 17850 11651 1 14 . 1 1 87 87 LEU C C 87 179.333 179.333 179.301 0.032 17850 11652 1 14 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.172 0.071 17850 11653 1 14 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.822 -0.056 17850 11654 1 14 . 1 1 87 87 LEU H H 87 7.825 7.825 8.710 -0.885 17850 11655 1 14 . 1 1 88 88 GLU N N 88 117.514 117.514 117.998 -0.484 17850 11656 1 14 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.636 -0.535 17850 11657 1 14 . 1 1 88 88 GLU C C 88 179.461 179.461 178.312 1.149 17850 11658 1 14 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.205 0.811 17850 11659 1 14 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.557 -0.887 17850 11660 1 14 . 1 1 88 88 GLU H H 88 8.265 8.265 8.355 -0.090 17850 11661 1 14 . 1 1 89 89 ALA N N 89 120.734 120.734 125.290 -4.556 17850 11662 1 14 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.799 0.368 17850 11663 1 14 . 1 1 89 89 ALA C C 89 178.362 178.362 178.148 0.214 17850 11664 1 14 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.465 0.612 17850 11665 1 14 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.418 -1.435 17850 11666 1 14 . 1 1 89 89 ALA H H 89 8.192 8.192 8.424 -0.232 17850 11667 1 14 . 1 1 90 90 PHE N N 90 119.339 119.339 118.227 1.112 17850 11668 1 14 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.020 -0.821 17850 11669 1 14 . 1 1 90 90 PHE C C 90 177.497 177.497 177.514 -0.017 17850 11670 1 14 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.220 0.965 17850 11671 1 14 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.271 1.549 17850 11672 1 14 . 1 1 90 90 PHE H H 90 8.685 8.685 8.400 0.285 17850 11673 1 14 . 1 1 91 91 LYS N N 91 116.189 116.189 119.381 -3.192 17850 11674 1 14 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.894 0.054 17850 11675 1 14 . 1 1 91 91 LYS C C 91 178.236 178.236 177.961 0.275 17850 11676 1 14 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.636 -0.122 17850 11677 1 14 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.701 0.170 17850 11678 1 14 . 1 1 91 91 LYS H H 91 8.112 8.112 7.452 0.660 17850 11679 1 14 . 1 1 92 92 VAL N N 92 117.696 117.696 117.318 0.378 17850 11680 1 14 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.794 -0.222 17850 11681 1 14 . 1 1 92 92 VAL C C 92 176.545 176.545 176.850 -0.305 17850 11682 1 14 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.340 0.232 17850 11683 1 14 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.079 -0.653 17850 11684 1 14 . 1 1 92 92 VAL H H 92 7.383 7.383 7.580 -0.197 17850 11685 1 14 . 1 1 93 93 PHE N N 93 114.826 114.826 117.833 -3.007 17850 11686 1 14 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.615 -0.388 17850 11687 1 14 . 1 1 93 93 PHE C C 93 176.417 176.417 176.188 0.229 17850 11688 1 14 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.827 0.773 17850 11689 1 14 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.754 2.442 17850 11690 1 14 . 1 1 93 93 PHE H H 93 7.116 7.116 7.997 -0.881 17850 11691 1 14 . 1 1 94 94 ASP N N 94 116.753 116.753 124.291 -7.538 17850 11692 1 14 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.494 0.037 17850 11693 1 14 . 1 1 94 94 ASP C C 94 177.305 177.305 177.142 0.163 17850 11694 1 14 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.378 -2.907 17850 11695 1 14 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.489 -1.648 17850 11696 1 14 . 1 1 94 94 ASP H H 94 7.849 7.849 8.125 -0.276 17850 11697 1 14 . 1 1 95 95 LYS N N 95 125.185 125.185 119.213 5.972 17850 11698 1 14 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.162 -0.159 17850 11699 1 14 . 1 1 95 95 LYS C C 95 178.261 178.261 176.960 1.301 17850 11700 1 14 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.772 1.305 17850 11701 1 14 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.383 -1.193 17850 11702 1 14 . 1 1 95 95 LYS H H 95 7.755 7.755 7.827 -0.072 17850 11703 1 14 . 1 1 96 96 ASN N N 96 112.542 112.542 119.743 -7.201 17850 11704 1 14 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.378 0.407 17850 11705 1 14 . 1 1 96 96 ASN C C 96 176.469 176.469 174.526 1.943 17850 11706 1 14 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.002 -1.140 17850 11707 1 14 . 1 1 96 96 ASN H H 96 8.069 8.069 8.009 0.060 17850 11708 1 14 . 1 1 97 97 GLY N N 97 109.956 109.956 110.854 -0.898 17850 11709 1 14 . 1 1 97 97 GLY C C 97 175.032 175.032 175.752 -0.720 17850 11710 1 14 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.283 3.425 17850 11711 1 14 . 1 1 97 97 GLY H H 97 7.686 7.686 8.973 -1.287 17850 11712 1 14 . 1 1 98 98 ASP N N 98 119.383 119.383 120.300 -0.917 17850 11713 1 14 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.339 0.214 17850 11714 1 14 . 1 1 98 98 ASP C C 98 177.274 177.274 174.651 2.623 17850 11715 1 14 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.975 -1.641 17850 11716 1 14 . 1 1 98 98 ASP H H 98 8.249 8.249 8.089 0.160 17850 11717 1 14 . 1 1 99 99 GLY N N 99 112.398 112.398 105.456 6.942 17850 11718 1 14 . 1 1 99 99 GLY C C 99 173.128 173.128 173.975 -0.847 17850 11719 1 14 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.765 1.964 17850 11720 1 14 . 1 1 99 99 GLY H H 99 10.390 10.390 8.043 2.346 17850 11721 1 14 . 1 1 100 100 LEU N N 100 120.803 120.803 125.945 -5.142 17850 11722 1 14 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.687 0.578 17850 11723 1 14 . 1 1 100 100 LEU C C 100 176.427 176.427 177.623 -1.196 17850 11724 1 14 . 1 1 100 100 LEU CA C 100 52.776 52.776 54.965 -2.189 17850 11725 1 14 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.155 5.046 17850 11726 1 14 . 1 1 100 100 LEU H H 100 7.987 7.987 8.963 -0.976 17850 11727 1 14 . 1 1 101 101 ILE N N 101 125.286 125.286 128.150 -2.864 17850 11728 1 14 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.370 0.352 17850 11729 1 14 . 1 1 101 101 ILE C C 101 175.432 175.432 177.130 -1.698 17850 11730 1 14 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.935 -0.686 17850 11731 1 14 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.205 -0.141 17850 11732 1 14 . 1 1 101 101 ILE H H 101 9.698 9.698 8.145 1.553 17850 11733 1 14 . 1 1 102 102 SER N N 102 123.133 123.133 117.621 5.512 17850 11734 1 14 . 1 1 102 102 SER HA H 102 4.969 4.969 4.053 0.916 17850 11735 1 14 . 1 1 102 102 SER C C 102 175.298 175.298 176.550 -1.252 17850 11736 1 14 . 1 1 102 102 SER CA C 102 55.994 55.994 61.803 -5.809 17850 11737 1 14 . 1 1 102 102 SER CB C 102 66.456 66.456 62.023 4.434 17850 11738 1 14 . 1 1 102 102 SER H H 102 9.095 9.095 8.719 0.376 17850 11739 1 14 . 1 1 103 103 ALA N N 103 122.886 122.886 121.687 1.199 17850 11740 1 14 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.890 -0.001 17850 11741 1 14 . 1 1 103 103 ALA C C 103 179.237 179.237 179.793 -0.556 17850 11742 1 14 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.321 0.761 17850 11743 1 14 . 1 1 103 103 ALA CB C 103 18.057 18.057 18.011 0.046 17850 11744 1 14 . 1 1 103 103 ALA H H 103 8.691 8.691 8.288 0.403 17850 11745 1 14 . 1 1 104 104 ALA N N 104 118.317 118.317 119.415 -1.098 17850 11746 1 14 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.756 0.318 17850 11747 1 14 . 1 1 104 104 ALA C C 104 181.451 181.451 179.382 2.069 17850 11748 1 14 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.570 0.715 17850 11749 1 14 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.741 -0.306 17850 11750 1 14 . 1 1 104 104 ALA H H 104 8.392 8.392 7.714 0.678 17850 11751 1 14 . 1 1 105 105 GLU N N 105 120.398 120.398 118.147 2.251 17850 11752 1 14 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.763 -0.703 17850 11753 1 14 . 1 1 105 105 GLU C C 105 179.223 179.223 177.247 1.976 17850 11754 1 14 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.409 0.054 17850 11755 1 14 . 1 1 105 105 GLU CB C 105 29.151 29.151 29.941 -0.790 17850 11756 1 14 . 1 1 105 105 GLU H H 105 7.879 7.879 8.223 -0.344 17850 11757 1 14 . 1 1 106 106 LEU N N 106 120.023 120.023 120.048 -0.025 17850 11758 1 14 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.894 0.269 17850 11759 1 14 . 1 1 106 106 LEU C C 106 178.503 178.503 178.930 -0.427 17850 11760 1 14 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.480 0.209 17850 11761 1 14 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.803 1.484 17850 11762 1 14 . 1 1 106 106 LEU H H 106 8.479 8.479 8.684 -0.205 17850 11763 1 14 . 1 1 107 107 LYS N N 107 117.064 117.064 120.551 -3.487 17850 11764 1 14 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.824 -0.006 17850 11765 1 14 . 1 1 107 107 LYS C C 107 179.039 179.039 178.559 0.480 17850 11766 1 14 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.909 0.399 17850 11767 1 14 . 1 1 107 107 LYS CB C 107 32.890 32.890 31.977 0.913 17850 11768 1 14 . 1 1 107 107 LYS H H 107 8.758 8.758 8.161 0.597 17850 11769 1 14 . 1 1 108 108 HIS N N 108 119.125 119.125 117.947 1.178 17850 11770 1 14 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.784 0.532 17850 11771 1 14 . 1 1 108 108 HIS C C 108 178.394 178.394 176.778 1.616 17850 11772 1 14 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.631 0.556 17850 11773 1 14 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.875 1.617 17850 11774 1 14 . 1 1 108 108 HIS H H 108 8.287 8.287 7.477 0.810 17850 11775 1 14 . 1 1 109 109 VAL N N 109 119.525 119.525 116.501 3.024 17850 11776 1 14 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.854 -0.369 17850 11777 1 14 . 1 1 109 109 VAL C C 109 178.246 178.246 178.196 0.050 17850 11778 1 14 . 1 1 109 109 VAL CA C 109 66.710 66.710 64.824 1.886 17850 11779 1 14 . 1 1 109 109 VAL CB C 109 31.572 31.572 31.041 0.531 17850 11780 1 14 . 1 1 109 109 VAL H H 109 7.915 7.915 8.202 -0.287 17850 11781 1 14 . 1 1 110 110 LEU N N 110 117.403 117.403 120.875 -3.472 17850 11782 1 14 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.154 -0.175 17850 11783 1 14 . 1 1 110 110 LEU C C 110 178.968 178.968 178.522 0.446 17850 11784 1 14 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.916 0.302 17850 11785 1 14 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.603 -1.075 17850 11786 1 14 . 1 1 110 110 LEU H H 110 8.269 8.269 8.199 0.070 17850 11787 1 14 . 1 1 111 111 THR N N 111 114.122 114.122 115.384 -1.262 17850 11788 1 14 . 1 1 111 111 THR HA H 111 4.184 4.184 4.026 0.158 17850 11789 1 14 . 1 1 111 111 THR C C 111 178.534 178.534 175.032 3.502 17850 11790 1 14 . 1 1 111 111 THR CA C 111 66.252 66.252 63.968 2.284 17850 11791 1 14 . 1 1 111 111 THR CB C 111 68.851 68.851 68.600 0.251 17850 11792 1 14 . 1 1 111 111 THR H H 111 8.441 8.441 7.988 0.453 17850 11793 1 14 . 1 1 112 112 SER N N 112 119.981 119.981 105.955 14.026 17850 11794 1 14 . 1 1 112 112 SER HA H 112 4.215 4.215 4.653 -0.438 17850 11795 1 14 . 1 1 112 112 SER C C 112 175.523 175.523 174.356 1.167 17850 11796 1 14 . 1 1 112 112 SER CA C 112 62.197 62.197 58.432 3.765 17850 11797 1 14 . 1 1 112 112 SER CB C 112 62.936 62.936 65.351 -2.415 17850 11798 1 14 . 1 1 112 112 SER H H 112 7.910 7.910 6.983 0.927 17850 11799 1 14 . 1 1 113 113 ILE N N 113 112.726 112.726 119.762 -7.036 17850 11800 1 14 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.897 0.587 17850 11801 1 14 . 1 1 113 113 ILE C C 113 175.636 175.636 174.870 0.766 17850 11802 1 14 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.330 -0.575 17850 11803 1 14 . 1 1 113 113 ILE H H 113 7.473 7.473 7.476 -0.003 17850 11804 1 14 . 1 1 114 114 GLY N N 114 108.354 108.354 112.693 -4.339 17850 11805 1 14 . 1 1 114 114 GLY C C 114 174.583 174.583 174.121 0.462 17850 11806 1 14 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.562 0.288 17850 11807 1 14 . 1 1 114 114 GLY H H 114 7.652 7.652 8.188 -0.536 17850 11808 1 14 . 1 1 115 115 GLU N N 115 120.283 120.283 123.195 -2.912 17850 11809 1 14 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.689 -0.384 17850 11810 1 14 . 1 1 115 115 GLU C C 115 175.444 175.444 175.791 -0.347 17850 11811 1 14 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.393 -0.261 17850 11812 1 14 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.163 0.087 17850 11813 1 14 . 1 1 115 115 GLU H H 115 8.045 8.045 8.183 -0.138 17850 11814 1 14 . 1 1 116 116 LYS N N 116 124.370 124.370 125.954 -1.584 17850 11815 1 14 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.652 -0.230 17850 11816 1 14 . 1 1 116 116 LYS C C 116 175.287 175.287 176.309 -1.022 17850 11817 1 14 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.250 0.385 17850 11818 1 14 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.267 -3.124 17850 11819 1 14 . 1 1 116 116 LYS H H 116 8.571 8.571 8.156 0.415 17850 11820 1 14 . 1 1 117 117 LEU N N 117 125.492 125.492 120.133 5.359 17850 11821 1 14 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.333 0.451 17850 11822 1 14 . 1 1 117 117 LEU C C 117 177.161 177.161 177.569 -0.408 17850 11823 1 14 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.676 0.557 17850 11824 1 14 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.618 1.379 17850 11825 1 14 . 1 1 117 117 LEU H H 117 8.042 8.042 8.233 -0.191 17850 11826 1 14 . 1 1 118 118 THR N N 118 113.255 113.255 118.341 -5.086 17850 11827 1 14 . 1 1 118 118 THR HA H 118 4.497 4.497 4.009 0.488 17850 11828 1 14 . 1 1 118 118 THR C C 118 175.335 175.335 176.601 -1.266 17850 11829 1 14 . 1 1 118 118 THR CA C 118 60.434 60.434 65.954 -5.520 17850 11830 1 14 . 1 1 118 118 THR CB C 118 71.193 71.193 68.148 3.045 17850 11831 1 14 . 1 1 118 118 THR H H 118 8.995 8.995 8.769 0.226 17850 11832 1 14 . 1 1 119 119 ASP N N 119 120.837 120.837 119.247 1.590 17850 11833 1 14 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.514 -0.282 17850 11834 1 14 . 1 1 119 119 ASP C C 119 178.422 178.422 178.143 0.279 17850 11835 1 14 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.402 1.695 17850 11836 1 14 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.511 -0.536 17850 11837 1 14 . 1 1 119 119 ASP H H 119 8.743 8.743 8.359 0.384 17850 11838 1 14 . 1 1 120 120 ALA N N 120 121.309 121.309 122.062 -0.753 17850 11839 1 14 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.070 0.096 17850 11840 1 14 . 1 1 120 120 ALA C C 120 179.796 179.796 180.113 -0.317 17850 11841 1 14 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.607 0.421 17850 11842 1 14 . 1 1 120 120 ALA CB C 120 18.320 18.320 18.855 -0.535 17850 11843 1 14 . 1 1 120 120 ALA H H 120 8.304 8.304 7.663 0.641 17850 11844 1 14 . 1 1 121 121 GLU N N 121 118.068 118.068 121.015 -2.947 17850 11845 1 14 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.987 0.070 17850 11846 1 14 . 1 1 121 121 GLU C C 121 180.035 180.035 177.625 2.410 17850 11847 1 14 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.562 -1.323 17850 11848 1 14 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.929 0.500 17850 11849 1 14 . 1 1 121 121 GLU H H 121 7.705 7.705 8.688 -0.983 17850 11850 1 14 . 1 1 122 122 VAL N N 122 120.636 120.636 117.834 2.802 17850 11851 1 14 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.818 -0.281 17850 11852 1 14 . 1 1 122 122 VAL C C 122 177.120 177.120 177.260 -0.140 17850 11853 1 14 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.644 1.397 17850 11854 1 14 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.622 -0.230 17850 11855 1 14 . 1 1 122 122 VAL H H 122 7.935 7.935 7.873 0.062 17850 11856 1 14 . 1 1 123 123 ASP N N 123 120.336 120.336 117.203 3.133 17850 11857 1 14 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.493 -0.190 17850 11858 1 14 . 1 1 123 123 ASP C C 123 179.023 179.023 177.979 1.044 17850 11859 1 14 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.437 1.506 17850 11860 1 14 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.131 -0.460 17850 11861 1 14 . 1 1 123 123 ASP H H 123 8.204 8.204 7.446 0.758 17850 11862 1 14 . 1 1 124 124 ASP N N 124 118.890 118.890 120.341 -1.451 17850 11863 1 14 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.359 -0.019 17850 11864 1 14 . 1 1 124 124 ASP C C 124 178.527 178.527 178.375 0.152 17850 11865 1 14 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.047 0.475 17850 11866 1 14 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.791 0.029 17850 11867 1 14 . 1 1 124 124 ASP H H 124 8.272 8.272 7.461 0.811 17850 11868 1 14 . 1 1 125 125 MET N N 125 119.365 119.365 118.450 0.915 17850 11869 1 14 . 1 1 125 125 MET HA H 125 4.091 4.091 4.057 0.034 17850 11870 1 14 . 1 1 125 125 MET C C 125 178.021 178.021 178.059 -0.038 17850 11871 1 14 . 1 1 125 125 MET CA C 125 59.205 59.205 58.323 0.882 17850 11872 1 14 . 1 1 125 125 MET CB C 125 33.281 33.281 31.790 1.491 17850 11873 1 14 . 1 1 125 125 MET H H 125 7.750 7.750 8.917 -1.167 17850 11874 1 14 . 1 1 126 126 LEU N N 126 117.193 117.193 117.813 -0.620 17850 11875 1 14 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.981 -0.057 17850 11876 1 14 . 1 1 126 126 LEU C C 126 180.267 180.267 179.429 0.838 17850 11877 1 14 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.566 0.236 17850 11878 1 14 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.359 0.254 17850 11879 1 14 . 1 1 126 126 LEU H H 126 8.152 8.152 7.694 0.458 17850 11880 1 14 . 1 1 127 127 ARG N N 127 120.792 120.792 118.048 2.744 17850 11881 1 14 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.100 -0.059 17850 11882 1 14 . 1 1 127 127 ARG C C 127 178.027 178.027 177.792 0.235 17850 11883 1 14 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.552 0.729 17850 11884 1 14 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.489 -0.490 17850 11885 1 14 . 1 1 127 127 ARG H H 127 8.335 8.335 7.604 0.731 17850 11886 1 14 . 1 1 128 128 GLU N N 128 117.142 117.142 111.503 5.639 17850 11887 1 14 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.654 -0.548 17850 11888 1 14 . 1 1 128 128 GLU C C 128 178.618 178.618 175.885 2.733 17850 11889 1 14 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.373 3.832 17850 11890 1 14 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.531 -0.137 17850 11891 1 14 . 1 1 128 128 GLU H H 128 7.667 7.667 8.223 -0.556 17850 11892 1 14 . 1 1 129 129 VAL N N 129 108.345 108.345 117.878 -9.533 17850 11893 1 14 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.157 0.330 17850 11894 1 14 . 1 1 129 129 VAL C C 129 175.591 175.591 176.527 -0.936 17850 11895 1 14 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.236 -0.574 17850 11896 1 14 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.995 0.014 17850 11897 1 14 . 1 1 129 129 VAL H H 129 7.470 7.470 7.864 -0.394 17850 11898 1 14 . 1 1 130 130 SER N N 130 115.012 115.012 118.243 -3.231 17850 11899 1 14 . 1 1 130 130 SER HA H 130 4.670 4.670 4.127 0.543 17850 11900 1 14 . 1 1 130 130 SER C C 130 174.414 174.414 174.330 0.084 17850 11901 1 14 . 1 1 130 130 SER CA C 130 58.067 58.067 59.543 -1.476 17850 11902 1 14 . 1 1 130 130 SER CB C 130 65.814 65.814 61.658 4.155 17850 11903 1 14 . 1 1 130 130 SER H H 130 7.858 7.858 7.793 0.065 17850 11904 1 14 . 1 1 131 131 ASP N N 131 120.972 120.972 116.020 4.952 17850 11905 1 14 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.232 0.334 17850 11906 1 14 . 1 1 131 131 ASP C C 131 176.676 176.676 175.151 1.525 17850 11907 1 14 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.794 -0.011 17850 11908 1 14 . 1 1 131 131 ASP H H 131 8.478 8.478 8.144 0.334 17850 11909 1 14 . 1 1 132 132 GLY N N 132 105.512 105.512 108.597 -3.085 17850 11910 1 14 . 1 1 132 132 GLY C C 132 174.924 174.924 175.357 -0.433 17850 11911 1 14 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.393 -0.723 17850 11912 1 14 . 1 1 132 132 GLY H H 132 8.352 8.352 7.751 0.601 17850 11913 1 14 . 1 1 133 133 SER N N 133 116.718 116.718 113.378 3.340 17850 11914 1 14 . 1 1 133 133 SER HA H 133 4.435 4.435 4.388 0.047 17850 11915 1 14 . 1 1 133 133 SER C C 133 175.404 175.404 172.158 3.246 17850 11916 1 14 . 1 1 133 133 SER CA C 133 59.340 59.340 58.230 1.110 17850 11917 1 14 . 1 1 133 133 SER H H 133 8.104 8.104 8.535 -0.431 17850 11918 1 14 . 1 1 134 134 GLY N N 134 109.601 109.601 107.241 2.360 17850 11919 1 14 . 1 1 134 134 GLY C C 134 172.547 172.547 172.886 -0.339 17850 11920 1 14 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.184 2.639 17850 11921 1 14 . 1 1 134 134 GLY H H 134 8.555 8.555 7.364 1.191 17850 11922 1 14 . 1 1 135 135 GLU N N 135 117.166 117.166 117.448 -0.282 17850 11923 1 14 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.896 0.131 17850 11924 1 14 . 1 1 135 135 GLU C C 135 175.280 175.280 175.306 -0.026 17850 11925 1 14 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.712 0.023 17850 11926 1 14 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.427 1.447 17850 11927 1 14 . 1 1 135 135 GLU H H 135 7.641 7.641 8.093 -0.452 17850 11928 1 14 . 1 1 136 136 ILE N N 136 114.256 114.256 127.010 -12.754 17850 11929 1 14 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.879 0.197 17850 11930 1 14 . 1 1 136 136 ILE C C 136 175.228 175.228 177.316 -2.088 17850 11931 1 14 . 1 1 136 136 ILE CA C 136 59.398 59.398 60.179 -0.782 17850 11932 1 14 . 1 1 136 136 ILE CB C 136 41.652 41.652 38.773 2.879 17850 11933 1 14 . 1 1 136 136 ILE H H 136 8.565 8.565 8.567 -0.002 17850 11934 1 14 . 1 1 137 137 ASN N N 137 121.842 121.842 118.831 3.011 17850 11935 1 14 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.768 1.497 17850 11936 1 14 . 1 1 137 137 ASN C C 137 176.835 176.835 176.511 0.324 17850 11937 1 14 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.615 -3.588 17850 11938 1 14 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.797 1.916 17850 11939 1 14 . 1 1 137 137 ASN H H 137 8.767 8.767 8.720 0.047 17850 11940 1 14 . 1 1 138 138 ILE N N 138 118.075 118.075 118.893 -0.818 17850 11941 1 14 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.854 -0.102 17850 11942 1 14 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.439 0.333 17850 11943 1 14 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.730 0.823 17850 11944 1 14 . 1 1 138 138 ILE H H 138 8.418 8.418 8.410 0.008 17850 11945 1 14 . 1 1 139 139 GLN N N 139 122.926 122.926 119.755 3.171 17850 11946 1 14 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.033 0.093 17850 11947 1 14 . 1 1 139 139 GLN C C 139 179.886 179.886 178.954 0.932 17850 11948 1 14 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.848 0.738 17850 11949 1 14 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.406 -0.621 17850 11950 1 14 . 1 1 139 139 GLN H H 139 7.632 7.632 8.026 -0.394 17850 11951 1 14 . 1 1 140 140 GLN N N 140 121.813 121.813 120.472 1.341 17850 11952 1 14 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.855 0.306 17850 11953 1 14 . 1 1 140 140 GLN C C 140 178.284 178.284 177.257 1.027 17850 11954 1 14 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.209 0.007 17850 11955 1 14 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.357 0.081 17850 11956 1 14 . 1 1 140 140 GLN H H 140 8.416 8.416 8.862 -0.446 17850 11957 1 14 . 1 1 141 141 PHE N N 141 121.732 121.732 117.876 3.856 17850 11958 1 14 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.734 0.418 17850 11959 1 14 . 1 1 141 141 PHE C C 141 176.273 176.273 176.289 -0.016 17850 11960 1 14 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.111 0.849 17850 11961 1 14 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.962 2.099 17850 11962 1 14 . 1 1 141 141 PHE H H 141 9.030 9.030 7.786 1.244 17850 11963 1 14 . 1 1 142 142 ALA N N 142 119.852 119.852 120.711 -0.859 17850 11964 1 14 . 1 1 142 142 ALA HA H 142 3.803 3.803 4.019 -0.216 17850 11965 1 14 . 1 1 142 142 ALA C C 142 180.733 180.733 178.867 1.866 17850 11966 1 14 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.378 0.832 17850 11967 1 14 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.379 -0.477 17850 11968 1 14 . 1 1 142 142 ALA H H 142 8.399 8.399 7.883 0.516 17850 11969 1 14 . 1 1 143 143 ALA N N 143 120.555 120.555 119.343 1.212 17850 11970 1 14 . 1 1 143 143 ALA HA H 143 4.114 4.114 4.005 0.109 17850 11971 1 14 . 1 1 143 143 ALA C C 143 180.455 180.455 179.548 0.907 17850 11972 1 14 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.831 0.181 17850 11973 1 14 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.179 -1.330 17850 11974 1 14 . 1 1 143 143 ALA H H 143 7.627 7.627 7.189 0.438 17850 11975 1 14 . 1 1 144 144 LEU N N 144 121.054 121.054 115.720 5.334 17850 11976 1 14 . 1 1 144 144 LEU HA H 144 3.933 3.933 3.940 -0.007 17850 11977 1 14 . 1 1 144 144 LEU C C 144 177.756 177.756 177.497 0.259 17850 11978 1 14 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.643 1.053 17850 11979 1 14 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.189 0.649 17850 11980 1 14 . 1 1 144 144 LEU H H 144 8.029 8.029 7.244 0.785 17850 11981 1 14 . 1 1 145 145 LEU N N 145 115.288 115.288 117.574 -2.286 17850 11982 1 14 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.444 -0.471 17850 11983 1 14 . 1 1 145 145 LEU C C 145 177.284 177.284 175.459 1.825 17850 11984 1 14 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.489 0.795 17850 11985 1 14 . 1 1 145 145 LEU CB C 145 41.610 41.610 41.995 -0.385 17850 11986 1 14 . 1 1 145 145 LEU H H 145 7.309 7.309 7.634 -0.325 17850 11987 1 14 . 1 1 146 146 SER N N 146 114.503 114.503 118.183 -3.680 17850 11988 1 14 . 1 1 146 146 SER HA H 146 4.346 4.346 4.643 -0.297 17850 11989 1 14 . 1 1 146 146 SER C C 146 175.125 175.125 173.264 1.861 17850 11990 1 14 . 1 1 146 146 SER CA C 146 59.046 59.046 56.895 2.151 17850 11991 1 14 . 1 1 146 146 SER CB C 146 64.181 64.181 63.289 0.892 17850 11992 1 14 . 1 1 146 146 SER H H 146 7.506 7.506 7.765 -0.259 17850 11993 1 14 . 1 1 147 147 LYS N N 147 123.315 123.315 121.612 1.703 17850 11994 1 14 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.505 -0.338 17850 11995 1 14 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.320 1.362 17850 11996 1 14 . 1 1 147 147 LYS H H 147 8.329 8.329 8.109 0.220 17850 11997 1 14 . 1 1 148 148 GLY N N 148 108.566 108.566 108.837 -0.271 17850 11998 1 14 . 1 1 148 148 GLY C C 148 174.394 174.394 175.752 -1.358 17850 11999 1 14 . 1 1 148 148 GLY CA C 148 45.528 45.528 46.121 -0.593 17850 12000 1 14 . 1 1 148 148 GLY H H 148 8.353 8.353 7.770 0.583 17850 12001 1 14 . 1 1 149 149 SER N N 149 115.356 115.356 115.459 -0.103 17850 12002 1 14 . 1 1 149 149 SER HA H 149 4.484 4.484 4.586 -0.102 17850 12003 1 14 . 1 1 149 149 SER C C 149 175.038 175.038 174.526 0.512 17850 12004 1 14 . 1 1 149 149 SER CA C 149 58.418 58.418 57.717 0.701 17850 12005 1 14 . 1 1 149 149 SER CB C 149 64.171 64.171 63.636 0.535 17850 12006 1 14 . 1 1 149 149 SER H H 149 7.993 7.993 8.249 -0.256 17850 12007 1 14 . 1 1 150 150 SER N N 150 118.028 118.028 113.082 4.946 17850 12008 1 14 . 1 1 150 150 SER HA H 150 4.490 4.490 4.657 -0.167 17850 12009 1 14 . 1 1 150 150 SER C C 150 175.034 175.034 173.594 1.440 17850 12010 1 14 . 1 1 150 150 SER CA C 150 59.029 59.029 57.093 1.936 17850 12011 1 14 . 1 1 150 150 SER CB C 150 63.407 63.407 64.835 -1.428 17850 12012 1 14 . 1 1 150 150 SER H H 150 8.530 8.530 7.681 0.849 17850 12013 1 15 . 1 1 1 1 GLY N N 1 109.911 109.911 109.917 -0.006 17850 12014 1 15 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.809 0.627 17850 12015 1 15 . 1 1 1 1 GLY H H 1 8.410 8.410 8.470 -0.060 17850 12016 1 15 . 1 1 2 2 SER N N 2 115.579 115.579 118.852 -3.273 17850 12017 1 15 . 1 1 2 2 SER HA H 2 4.474 4.474 4.712 -0.238 17850 12018 1 15 . 1 1 2 2 SER C C 2 174.661 174.661 173.233 1.428 17850 12019 1 15 . 1 1 2 2 SER CA C 2 58.374 58.374 58.372 0.002 17850 12020 1 15 . 1 1 2 2 SER CB C 2 63.986 63.986 64.816 -0.830 17850 12021 1 15 . 1 1 2 2 SER H H 2 8.207 8.207 7.680 0.527 17850 12022 1 15 . 1 1 3 3 SER N N 3 117.154 117.154 118.494 -1.340 17850 12023 1 15 . 1 1 3 3 SER HA H 3 4.439 4.439 4.769 -0.330 17850 12024 1 15 . 1 1 3 3 SER C C 3 174.122 174.122 174.530 -0.408 17850 12025 1 15 . 1 1 3 3 SER CA C 3 58.695 58.695 58.132 0.563 17850 12026 1 15 . 1 1 3 3 SER CB C 3 63.865 63.865 63.183 0.682 17850 12027 1 15 . 1 1 3 3 SER H H 3 8.337 8.337 8.592 -0.255 17850 12028 1 15 . 1 1 4 4 ASN N N 4 120.145 120.145 119.339 0.806 17850 12029 1 15 . 1 1 4 4 ASN HA H 4 4.726 4.726 4.972 -0.246 17850 12030 1 15 . 1 1 4 4 ASN C C 4 174.741 174.741 175.272 -0.531 17850 12031 1 15 . 1 1 4 4 ASN CA C 4 53.326 53.326 53.336 -0.010 17850 12032 1 15 . 1 1 4 4 ASN CB C 4 38.802 38.802 38.931 -0.129 17850 12033 1 15 . 1 1 4 4 ASN H H 4 8.432 8.432 7.659 0.773 17850 12034 1 15 . 1 1 5 5 LEU N N 5 121.341 121.341 115.839 5.502 17850 12035 1 15 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.569 0.110 17850 12036 1 15 . 1 1 5 5 LEU C C 5 177.641 177.641 177.361 0.280 17850 12037 1 15 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.325 2.140 17850 12038 1 15 . 1 1 5 5 LEU CB C 5 43.713 43.713 45.727 -2.014 17850 12039 1 15 . 1 1 5 5 LEU H H 5 7.966 7.966 7.940 0.026 17850 12040 1 15 . 1 1 6 6 THR N N 6 113.168 113.168 116.494 -3.326 17850 12041 1 15 . 1 1 6 6 THR HA H 6 4.470 4.470 3.940 0.530 17850 12042 1 15 . 1 1 6 6 THR C C 6 175.390 175.390 175.963 -0.573 17850 12043 1 15 . 1 1 6 6 THR CA C 6 60.543 60.543 65.659 -5.116 17850 12044 1 15 . 1 1 6 6 THR CB C 6 71.190 71.190 68.374 2.817 17850 12045 1 15 . 1 1 6 6 THR H H 6 8.716 8.716 8.813 -0.097 17850 12046 1 15 . 1 1 7 7 GLU N N 7 120.480 120.480 119.411 1.069 17850 12047 1 15 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.157 -0.172 17850 12048 1 15 . 1 1 7 7 GLU C C 7 179.475 179.475 179.494 -0.019 17850 12049 1 15 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.749 1.324 17850 12050 1 15 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.512 -0.219 17850 12051 1 15 . 1 1 7 7 GLU H H 7 8.997 8.997 7.856 1.141 17850 12052 1 15 . 1 1 8 8 GLU N N 8 119.766 119.766 118.929 0.837 17850 12053 1 15 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.393 -0.306 17850 12054 1 15 . 1 1 8 8 GLU C C 8 178.641 178.641 179.446 -0.805 17850 12055 1 15 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.638 1.197 17850 12056 1 15 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.807 -0.409 17850 12057 1 15 . 1 1 8 8 GLU H H 8 8.603 8.603 8.533 0.070 17850 12058 1 15 . 1 1 9 9 GLN N N 9 119.234 119.234 118.064 1.170 17850 12059 1 15 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.429 -0.500 17850 12060 1 15 . 1 1 9 9 GLN C C 9 178.969 178.969 177.291 1.678 17850 12061 1 15 . 1 1 9 9 GLN CA C 9 58.718 58.718 55.939 2.779 17850 12062 1 15 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.395 3.187 17850 12063 1 15 . 1 1 9 9 GLN H H 9 7.730 7.730 8.525 -0.795 17850 12064 1 15 . 1 1 10 10 ILE N N 10 119.661 119.661 118.532 1.129 17850 12065 1 15 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.167 -0.404 17850 12066 1 15 . 1 1 10 10 ILE C C 10 178.040 178.040 177.514 0.526 17850 12067 1 15 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.213 3.008 17850 12068 1 15 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.640 0.312 17850 12069 1 15 . 1 1 10 10 ILE H H 10 8.398 8.398 7.646 0.752 17850 12070 1 15 . 1 1 11 11 ALA N N 11 121.678 121.678 123.319 -1.641 17850 12071 1 15 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.016 0.117 17850 12072 1 15 . 1 1 11 11 ALA C C 11 181.140 181.140 180.078 1.062 17850 12073 1 15 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.382 1.072 17850 12074 1 15 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.799 -0.887 17850 12075 1 15 . 1 1 11 11 ALA H H 11 8.037 8.037 7.663 0.374 17850 12076 1 15 . 1 1 12 12 GLU N N 12 118.175 118.175 117.736 0.439 17850 12077 1 15 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.288 -0.170 17850 12078 1 15 . 1 1 12 12 GLU C C 12 180.185 180.185 178.929 1.256 17850 12079 1 15 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.601 -0.406 17850 12080 1 15 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.890 0.489 17850 12081 1 15 . 1 1 12 12 GLU H H 12 7.869 7.869 7.444 0.425 17850 12082 1 15 . 1 1 13 13 PHE N N 13 119.011 119.011 118.935 0.076 17850 12083 1 15 . 1 1 13 13 PHE HA H 13 4.890 4.890 3.980 0.910 17850 12084 1 15 . 1 1 13 13 PHE C C 13 178.486 178.486 177.994 0.492 17850 12085 1 15 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.653 -1.204 17850 12086 1 15 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.353 0.546 17850 12087 1 15 . 1 1 13 13 PHE H H 13 8.429 8.429 8.117 0.312 17850 12088 1 15 . 1 1 14 14 LYS N N 14 123.459 123.459 118.626 4.833 17850 12089 1 15 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.086 -0.054 17850 12090 1 15 . 1 1 14 14 LYS C C 14 179.131 179.131 178.909 0.222 17850 12091 1 15 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.074 1.416 17850 12092 1 15 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.192 -0.279 17850 12093 1 15 . 1 1 14 14 LYS H H 14 8.925 8.925 8.396 0.529 17850 12094 1 15 . 1 1 15 15 GLU N N 15 119.581 119.581 118.186 1.395 17850 12095 1 15 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.319 -0.151 17850 12096 1 15 . 1 1 15 15 GLU C C 15 179.163 179.163 177.842 1.321 17850 12097 1 15 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.806 0.579 17850 12098 1 15 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.416 -0.029 17850 12099 1 15 . 1 1 15 15 GLU H H 15 8.064 8.064 7.794 0.270 17850 12100 1 15 . 1 1 16 16 ALA N N 16 120.993 120.993 122.060 -1.067 17850 12101 1 15 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.457 0.785 17850 12102 1 15 . 1 1 16 16 ALA C C 16 177.628 177.628 178.377 -0.749 17850 12103 1 15 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.812 2.373 17850 12104 1 15 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.291 -1.367 17850 12105 1 15 . 1 1 16 16 ALA H H 16 7.801 7.801 7.810 -0.009 17850 12106 1 15 . 1 1 17 17 PHE N N 17 118.745 118.745 119.623 -0.878 17850 12107 1 15 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.345 -0.991 17850 12108 1 15 . 1 1 17 17 PHE C C 17 177.500 177.500 177.085 0.415 17850 12109 1 15 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.173 1.527 17850 12110 1 15 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.021 1.957 17850 12111 1 15 . 1 1 17 17 PHE H H 17 8.469 8.469 7.861 0.608 17850 12112 1 15 . 1 1 18 18 ALA N N 18 119.942 119.942 118.117 1.825 17850 12113 1 15 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.738 0.272 17850 12114 1 15 . 1 1 18 18 ALA C C 18 178.535 178.535 178.456 0.079 17850 12115 1 15 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.134 0.282 17850 12116 1 15 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.314 0.173 17850 12117 1 15 . 1 1 18 18 ALA H H 18 8.187 8.187 7.114 1.073 17850 12118 1 15 . 1 1 19 19 LEU N N 19 116.851 116.851 113.464 3.387 17850 12119 1 15 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.300 -0.340 17850 12120 1 15 . 1 1 19 19 LEU C C 19 176.795 176.795 177.314 -0.519 17850 12121 1 15 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.816 2.619 17850 12122 1 15 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.318 -1.636 17850 12123 1 15 . 1 1 19 19 LEU H H 19 7.254 7.254 7.197 0.057 17850 12124 1 15 . 1 1 20 20 PHE N N 20 111.977 111.977 121.000 -9.023 17850 12125 1 15 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.194 0.065 17850 12126 1 15 . 1 1 20 20 PHE C C 20 177.033 177.033 176.527 0.506 17850 12127 1 15 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.363 -0.707 17850 12128 1 15 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.877 4.287 17850 12129 1 15 . 1 1 20 20 PHE H H 20 7.041 7.041 8.101 -1.060 17850 12130 1 15 . 1 1 21 21 ASP N N 21 116.981 116.981 123.873 -6.892 17850 12131 1 15 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.320 0.265 17850 12132 1 15 . 1 1 21 21 ASP C C 21 177.297 177.297 177.529 -0.232 17850 12133 1 15 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.477 -3.806 17850 12134 1 15 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.555 -1.553 17850 12135 1 15 . 1 1 21 21 ASP H H 21 7.567 7.567 8.379 -0.811 17850 12136 1 15 . 1 1 22 22 LYS N N 22 124.748 124.748 115.765 8.983 17850 12137 1 15 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.165 -0.173 17850 12138 1 15 . 1 1 22 22 LYS C C 22 177.866 177.866 176.009 1.857 17850 12139 1 15 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.563 1.669 17850 12140 1 15 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.665 -0.038 17850 12141 1 15 . 1 1 22 22 LYS H H 22 7.820 7.820 8.229 -0.409 17850 12142 1 15 . 1 1 23 23 ASP N N 23 114.211 114.211 116.329 -2.118 17850 12143 1 15 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.408 0.195 17850 12144 1 15 . 1 1 23 23 ASP C C 23 176.266 176.266 175.614 0.652 17850 12145 1 15 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.705 -2.058 17850 12146 1 15 . 1 1 23 23 ASP CB C 23 39.283 39.283 38.820 0.463 17850 12147 1 15 . 1 1 23 23 ASP H H 23 8.025 8.025 8.170 -0.145 17850 12148 1 15 . 1 1 24 24 ASN N N 24 115.587 115.587 117.964 -2.377 17850 12149 1 15 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.801 -0.412 17850 12150 1 15 . 1 1 24 24 ASN C C 24 174.828 174.828 175.900 -1.072 17850 12151 1 15 . 1 1 24 24 ASN CA C 24 54.507 54.507 51.867 2.640 17850 12152 1 15 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.366 -0.335 17850 12153 1 15 . 1 1 24 24 ASN H H 24 7.962 7.962 8.168 -0.206 17850 12154 1 15 . 1 1 25 25 ASN N N 25 117.385 117.385 118.552 -1.167 17850 12155 1 15 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.528 0.320 17850 12156 1 15 . 1 1 25 25 ASN C C 25 177.553 177.553 174.292 3.261 17850 12157 1 15 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.744 -1.429 17850 12158 1 15 . 1 1 25 25 ASN H H 25 8.489 8.489 8.153 0.336 17850 12159 1 15 . 1 1 26 26 GLY N N 26 113.934 113.934 107.183 6.751 17850 12160 1 15 . 1 1 26 26 GLY C C 26 173.371 173.371 173.600 -0.229 17850 12161 1 15 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.076 0.462 17850 12162 1 15 . 1 1 26 26 GLY H H 26 10.580 10.580 8.223 2.357 17850 12163 1 15 . 1 1 27 27 SER N N 27 113.842 113.842 122.363 -8.521 17850 12164 1 15 . 1 1 27 27 SER HA H 27 5.358 5.358 4.848 0.510 17850 12165 1 15 . 1 1 27 27 SER C C 27 172.645 172.645 175.143 -2.498 17850 12166 1 15 . 1 1 27 27 SER CA C 27 57.474 57.474 57.461 0.013 17850 12167 1 15 . 1 1 27 27 SER CB C 27 66.576 66.576 63.268 3.308 17850 12168 1 15 . 1 1 27 27 SER H H 27 7.793 7.793 9.039 -1.246 17850 12169 1 15 . 1 1 28 28 ILE N N 28 127.597 127.597 128.365 -0.768 17850 12170 1 15 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.339 0.486 17850 12171 1 15 . 1 1 28 28 ILE C C 28 175.890 175.890 177.095 -1.205 17850 12172 1 15 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.432 -0.257 17850 12173 1 15 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.776 -0.682 17850 12174 1 15 . 1 1 28 28 ILE H H 28 9.787 9.787 9.058 0.729 17850 12175 1 15 . 1 1 29 29 SER N N 29 124.860 124.860 116.376 8.484 17850 12176 1 15 . 1 1 29 29 SER HA H 29 4.813 4.813 4.128 0.685 17850 12177 1 15 . 1 1 29 29 SER C C 29 175.477 175.477 177.069 -1.592 17850 12178 1 15 . 1 1 29 29 SER CA C 29 56.583 56.583 60.781 -4.198 17850 12179 1 15 . 1 1 29 29 SER CB C 29 66.269 66.269 63.192 3.077 17850 12180 1 15 . 1 1 29 29 SER H H 29 9.320 9.320 8.182 1.138 17850 12181 1 15 . 1 1 30 30 SER N N 30 117.383 117.383 115.513 1.870 17850 12182 1 15 . 1 1 30 30 SER HA H 30 4.141 4.141 4.289 -0.148 17850 12183 1 15 . 1 1 30 30 SER C C 30 176.531 176.531 175.640 0.891 17850 12184 1 15 . 1 1 30 30 SER CA C 30 62.690 62.690 61.075 1.615 17850 12185 1 15 . 1 1 30 30 SER CB C 30 62.264 62.264 63.194 -0.930 17850 12186 1 15 . 1 1 30 30 SER H H 30 9.554 9.554 7.854 1.700 17850 12187 1 15 . 1 1 31 31 SER N N 31 116.232 116.232 114.981 1.251 17850 12188 1 15 . 1 1 31 31 SER HA H 31 4.309 4.309 4.401 -0.092 17850 12189 1 15 . 1 1 31 31 SER C C 31 178.017 178.017 175.691 2.326 17850 12190 1 15 . 1 1 31 31 SER CA C 31 61.332 61.332 59.907 1.425 17850 12191 1 15 . 1 1 31 31 SER CB C 31 62.512 62.512 63.802 -1.290 17850 12192 1 15 . 1 1 31 31 SER H H 31 8.141 8.141 7.334 0.807 17850 12193 1 15 . 1 1 32 32 GLU N N 32 125.663 125.663 120.105 5.558 17850 12194 1 15 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.029 0.024 17850 12195 1 15 . 1 1 32 32 GLU C C 32 179.222 179.222 177.935 1.287 17850 12196 1 15 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.603 0.096 17850 12197 1 15 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.668 -0.416 17850 12198 1 15 . 1 1 32 32 GLU H H 32 7.947 7.947 8.508 -0.561 17850 12199 1 15 . 1 1 33 33 LEU N N 33 120.624 120.624 117.197 3.427 17850 12200 1 15 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.097 0.071 17850 12201 1 15 . 1 1 33 33 LEU C C 33 178.493 178.493 178.687 -0.194 17850 12202 1 15 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.611 1.296 17850 12203 1 15 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.015 1.302 17850 12204 1 15 . 1 1 33 33 LEU H H 33 8.424 8.424 8.464 -0.040 17850 12205 1 15 . 1 1 34 34 ALA N N 34 119.635 119.635 121.078 -1.443 17850 12206 1 15 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.078 -0.254 17850 12207 1 15 . 1 1 34 34 ALA C C 34 179.360 179.360 178.788 0.572 17850 12208 1 15 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.279 0.317 17850 12209 1 15 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.798 -0.121 17850 12210 1 15 . 1 1 34 34 ALA H H 34 8.410 8.410 7.314 1.096 17850 12211 1 15 . 1 1 35 35 THR N N 35 114.602 114.602 116.297 -1.695 17850 12212 1 15 . 1 1 35 35 THR HA H 35 3.886 3.886 3.986 -0.100 17850 12213 1 15 . 1 1 35 35 THR C C 35 177.278 177.278 176.105 1.173 17850 12214 1 15 . 1 1 35 35 THR CA C 35 67.317 67.317 65.439 1.878 17850 12215 1 15 . 1 1 35 35 THR CB C 35 68.774 68.774 69.372 -0.598 17850 12216 1 15 . 1 1 35 35 THR H H 35 8.263 8.263 7.805 0.458 17850 12217 1 15 . 1 1 36 36 VAL N N 36 122.295 122.295 118.353 3.942 17850 12218 1 15 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.568 0.037 17850 12219 1 15 . 1 1 36 36 VAL C C 36 178.653 178.653 177.986 0.667 17850 12220 1 15 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.939 -0.201 17850 12221 1 15 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.341 -0.038 17850 12222 1 15 . 1 1 36 36 VAL H H 36 7.790 7.790 7.817 -0.027 17850 12223 1 15 . 1 1 37 37 MET N N 37 117.677 117.677 116.832 0.845 17850 12224 1 15 . 1 1 37 37 MET HA H 37 3.642 3.642 4.365 -0.723 17850 12225 1 15 . 1 1 37 37 MET C C 37 178.172 178.172 179.304 -1.132 17850 12226 1 15 . 1 1 37 37 MET CA C 37 60.506 60.506 58.118 2.388 17850 12227 1 15 . 1 1 37 37 MET CB C 37 32.347 32.347 31.705 0.642 17850 12228 1 15 . 1 1 37 37 MET H H 37 8.081 8.081 8.078 0.003 17850 12229 1 15 . 1 1 38 38 ARG N N 38 118.309 118.309 121.449 -3.140 17850 12230 1 15 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.051 0.637 17850 12231 1 15 . 1 1 38 38 ARG C C 38 181.486 181.486 177.696 3.790 17850 12232 1 15 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.725 0.376 17850 12233 1 15 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.938 0.074 17850 12234 1 15 . 1 1 38 38 ARG H H 38 8.547 8.547 8.024 0.523 17850 12235 1 15 . 1 1 39 39 SER N N 39 119.250 119.250 111.533 7.717 17850 12236 1 15 . 1 1 39 39 SER HA H 39 4.301 4.301 4.183 0.118 17850 12237 1 15 . 1 1 39 39 SER C C 39 174.899 174.899 174.470 0.429 17850 12238 1 15 . 1 1 39 39 SER CA C 39 61.925 61.925 59.328 2.597 17850 12239 1 15 . 1 1 39 39 SER CB C 39 62.773 62.773 63.289 -0.516 17850 12240 1 15 . 1 1 39 39 SER H H 39 8.226 8.226 7.930 0.296 17850 12241 1 15 . 1 1 40 40 LEU N N 40 119.516 119.516 116.599 2.917 17850 12242 1 15 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.057 0.213 17850 12243 1 15 . 1 1 40 40 LEU C C 40 176.681 176.681 176.570 0.111 17850 12244 1 15 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.402 0.181 17850 12245 1 15 . 1 1 40 40 LEU H H 40 7.343 7.343 7.451 -0.108 17850 12246 1 15 . 1 1 41 41 GLY N N 41 105.983 105.983 107.107 -1.124 17850 12247 1 15 . 1 1 41 41 GLY C C 41 174.471 174.471 174.837 -0.366 17850 12248 1 15 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.757 0.482 17850 12249 1 15 . 1 1 41 41 GLY H H 41 7.858 7.858 8.090 -0.232 17850 12250 1 15 . 1 1 42 42 LEU N N 42 120.442 120.442 118.809 1.633 17850 12251 1 15 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.506 -0.035 17850 12252 1 15 . 1 1 42 42 LEU C C 42 175.965 175.965 174.249 1.716 17850 12253 1 15 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.978 1.267 17850 12254 1 15 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.168 0.363 17850 12255 1 15 . 1 1 42 42 LEU H H 42 7.707 7.707 8.363 -0.656 17850 12256 1 15 . 1 1 43 43 SER HA H 43 4.798 4.798 4.550 0.248 17850 12257 1 15 . 1 1 43 43 SER CA C 43 54.912 54.912 57.172 -2.260 17850 12258 1 15 . 1 1 43 43 SER CB C 43 63.197 63.197 63.055 0.142 17850 12259 1 15 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.230 0.562 17850 12260 1 15 . 1 1 44 44 PRO CA C 44 61.881 61.881 63.746 -1.865 17850 12261 1 15 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.807 -0.607 17850 12262 1 15 . 1 1 45 45 SER N N 45 119.898 119.898 120.121 -0.223 17850 12263 1 15 . 1 1 45 45 SER HA H 45 4.611 4.611 4.102 0.509 17850 12264 1 15 . 1 1 45 45 SER C C 45 174.913 174.913 176.488 -1.575 17850 12265 1 15 . 1 1 45 45 SER CA C 45 56.689 56.689 61.705 -5.016 17850 12266 1 15 . 1 1 45 45 SER CB C 45 65.502 65.502 63.298 2.204 17850 12267 1 15 . 1 1 45 45 SER H H 45 9.387 9.387 9.028 0.359 17850 12268 1 15 . 1 1 46 46 GLU N N 46 121.468 121.468 118.208 3.260 17850 12269 1 15 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.096 -0.157 17850 12270 1 15 . 1 1 46 46 GLU C C 46 179.002 179.002 178.722 0.280 17850 12271 1 15 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.437 0.698 17850 12272 1 15 . 1 1 46 46 GLU CB C 46 29.347 29.347 29.030 0.317 17850 12273 1 15 . 1 1 46 46 GLU H H 46 8.913 8.913 8.446 0.467 17850 12274 1 15 . 1 1 47 47 ALA N N 47 121.115 121.115 121.884 -0.769 17850 12275 1 15 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.158 -0.006 17850 12276 1 15 . 1 1 47 47 ALA C C 47 179.962 179.962 180.204 -0.242 17850 12277 1 15 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.611 0.507 17850 12278 1 15 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.138 -0.783 17850 12279 1 15 . 1 1 47 47 ALA H H 47 8.324 8.324 7.823 0.501 17850 12280 1 15 . 1 1 48 48 GLU N N 48 118.713 118.713 119.217 -0.504 17850 12281 1 15 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.863 0.241 17850 12282 1 15 . 1 1 48 48 GLU C C 48 179.558 179.558 178.276 1.282 17850 12283 1 15 . 1 1 48 48 GLU CA C 48 59.218 59.218 60.891 -1.673 17850 12284 1 15 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.629 1.275 17850 12285 1 15 . 1 1 48 48 GLU H H 48 7.756 7.756 8.914 -1.158 17850 12286 1 15 . 1 1 49 49 VAL N N 49 119.108 119.108 120.639 -1.531 17850 12287 1 15 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.939 -0.475 17850 12288 1 15 . 1 1 49 49 VAL C C 49 177.505 177.505 178.012 -0.507 17850 12289 1 15 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.555 1.916 17850 12290 1 15 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.484 -0.043 17850 12291 1 15 . 1 1 49 49 VAL H H 49 8.129 8.129 7.470 0.659 17850 12292 1 15 . 1 1 50 50 ASN N N 50 117.942 117.942 118.490 -0.548 17850 12293 1 15 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.492 -0.104 17850 12294 1 15 . 1 1 50 50 ASN C C 50 177.275 177.275 177.298 -0.023 17850 12295 1 15 . 1 1 50 50 ASN CA C 50 56.781 56.781 56.081 0.700 17850 12296 1 15 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.471 -0.074 17850 12297 1 15 . 1 1 50 50 ASN H H 50 8.071 8.071 7.724 0.347 17850 12298 1 15 . 1 1 51 51 ASP N N 51 120.669 120.669 118.683 1.986 17850 12299 1 15 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.615 -0.124 17850 12300 1 15 . 1 1 51 51 ASP C C 51 179.203 179.203 177.878 1.325 17850 12301 1 15 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.527 1.068 17850 12302 1 15 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.025 -0.711 17850 12303 1 15 . 1 1 51 51 ASP H H 51 8.364 8.364 8.322 0.042 17850 12304 1 15 . 1 1 52 52 LEU N N 52 122.409 122.409 116.344 6.065 17850 12305 1 15 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.242 -0.172 17850 12306 1 15 . 1 1 52 52 LEU C C 52 179.017 179.017 177.653 1.364 17850 12307 1 15 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.433 1.024 17850 12308 1 15 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.539 0.542 17850 12309 1 15 . 1 1 52 52 LEU H H 52 8.018 8.018 8.148 -0.130 17850 12310 1 15 . 1 1 53 53 MET N N 53 117.391 117.391 118.448 -1.057 17850 12311 1 15 . 1 1 53 53 MET HA H 53 4.112 4.112 4.515 -0.403 17850 12312 1 15 . 1 1 53 53 MET CA C 53 57.472 57.472 57.214 0.258 17850 12313 1 15 . 1 1 53 53 MET CB C 53 30.021 30.021 33.411 -3.390 17850 12314 1 15 . 1 1 53 53 MET H H 53 8.562 8.562 8.483 0.079 17850 12315 1 15 . 1 1 54 54 ASN N N 54 115.554 115.554 116.560 -1.006 17850 12316 1 15 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.672 -0.114 17850 12317 1 15 . 1 1 54 54 ASN C C 54 176.801 176.801 175.217 1.584 17850 12318 1 15 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.925 1.371 17850 12319 1 15 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.060 -0.903 17850 12320 1 15 . 1 1 54 54 ASN H H 54 8.204 8.204 7.671 0.533 17850 12321 1 15 . 1 1 55 55 GLU N N 55 117.659 117.659 115.041 2.618 17850 12322 1 15 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.376 -0.174 17850 12323 1 15 . 1 1 55 55 GLU C C 55 177.093 177.093 176.616 0.477 17850 12324 1 15 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.669 2.158 17850 12325 1 15 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.079 -0.059 17850 12326 1 15 . 1 1 55 55 GLU H H 55 7.617 7.617 7.333 0.284 17850 12327 1 15 . 1 1 56 56 ILE N N 56 117.618 117.618 123.153 -5.535 17850 12328 1 15 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.138 -0.254 17850 12329 1 15 . 1 1 56 56 ILE C C 56 176.029 176.029 176.893 -0.864 17850 12330 1 15 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.952 -0.138 17850 12331 1 15 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.319 1.609 17850 12332 1 15 . 1 1 56 56 ILE H H 56 7.472 7.472 7.741 -0.269 17850 12333 1 15 . 1 1 57 57 ASP N N 57 118.636 118.636 124.765 -6.129 17850 12334 1 15 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.519 -0.107 17850 12335 1 15 . 1 1 57 57 ASP C C 57 175.691 175.691 176.157 -0.466 17850 12336 1 15 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.577 -1.044 17850 12337 1 15 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.867 0.378 17850 12338 1 15 . 1 1 57 57 ASP H H 57 8.304 8.304 8.918 -0.614 17850 12339 1 15 . 1 1 58 58 VAL N N 58 126.376 126.376 117.033 9.343 17850 12340 1 15 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.142 -0.148 17850 12341 1 15 . 1 1 58 58 VAL C C 58 177.258 177.258 176.791 0.467 17850 12342 1 15 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.873 2.461 17850 12343 1 15 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.381 0.926 17850 12344 1 15 . 1 1 58 58 VAL H H 58 7.926 7.926 7.476 0.450 17850 12345 1 15 . 1 1 59 59 ASP N N 59 117.093 117.093 120.086 -2.993 17850 12346 1 15 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.255 0.302 17850 12347 1 15 . 1 1 59 59 ASP C C 59 177.759 177.759 176.821 0.938 17850 12348 1 15 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.947 -1.071 17850 12349 1 15 . 1 1 59 59 ASP H H 59 8.363 8.363 8.271 0.092 17850 12350 1 15 . 1 1 60 60 GLY N N 60 108.290 108.290 107.943 0.347 17850 12351 1 15 . 1 1 60 60 GLY C C 60 174.700 174.700 174.817 -0.117 17850 12352 1 15 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.066 3.054 17850 12353 1 15 . 1 1 60 60 GLY H H 60 7.636 7.636 8.935 -1.299 17850 12354 1 15 . 1 1 61 61 ASN N N 61 118.884 118.884 115.597 3.287 17850 12355 1 15 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.339 0.190 17850 12356 1 15 . 1 1 61 61 ASN C C 61 175.856 175.856 172.757 3.099 17850 12357 1 15 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.921 -2.561 17850 12358 1 15 . 1 1 61 61 ASN CB C 61 37.177 37.177 37.053 0.124 17850 12359 1 15 . 1 1 61 61 ASN H H 61 8.078 8.078 8.386 -0.308 17850 12360 1 15 . 1 1 62 62 HIS N N 62 117.381 117.381 112.705 4.676 17850 12361 1 15 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.112 -1.235 17850 12362 1 15 . 1 1 62 62 HIS C C 62 172.310 172.310 173.806 -1.496 17850 12363 1 15 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.329 2.044 17850 12364 1 15 . 1 1 62 62 HIS CB C 62 26.734 26.734 34.922 -8.188 17850 12365 1 15 . 1 1 62 62 HIS H H 62 9.958 9.958 8.309 1.649 17850 12366 1 15 . 1 1 63 63 GLN N N 63 112.906 112.906 121.012 -8.106 17850 12367 1 15 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.949 -0.117 17850 12368 1 15 . 1 1 63 63 GLN C C 63 174.861 174.861 176.084 -1.223 17850 12369 1 15 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.576 -0.701 17850 12370 1 15 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.058 2.092 17850 12371 1 15 . 1 1 63 63 GLN H H 63 7.535 7.535 8.359 -0.824 17850 12372 1 15 . 1 1 64 64 ILE N N 64 124.083 124.083 127.390 -3.307 17850 12373 1 15 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.826 0.246 17850 12374 1 15 . 1 1 64 64 ILE C C 64 176.670 176.670 176.730 -0.060 17850 12375 1 15 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.788 -0.117 17850 12376 1 15 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.028 -1.861 17850 12377 1 15 . 1 1 64 64 ILE H H 64 9.274 9.274 8.725 0.549 17850 12378 1 15 . 1 1 65 65 GLU N N 65 129.276 129.276 121.002 8.274 17850 12379 1 15 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.660 2.380 17850 12380 1 15 . 1 1 65 65 GLU C C 65 178.156 178.156 176.894 1.262 17850 12381 1 15 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.470 0.378 17850 12382 1 15 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.582 1.598 17850 12383 1 15 . 1 1 65 65 GLU H H 65 8.848 8.848 9.170 -0.322 17850 12384 1 15 . 1 1 66 66 PHE N N 66 124.260 124.260 118.671 5.589 17850 12385 1 15 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.904 -0.214 17850 12386 1 15 . 1 1 66 66 PHE C C 66 177.294 177.294 177.069 0.225 17850 12387 1 15 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.288 1.732 17850 12388 1 15 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.819 -0.865 17850 12389 1 15 . 1 1 66 66 PHE H H 66 9.353 9.353 8.073 1.280 17850 12390 1 15 . 1 1 67 67 SER N N 67 112.827 112.827 118.488 -5.661 17850 12391 1 15 . 1 1 67 67 SER HA H 67 3.726 3.726 4.030 -0.304 17850 12392 1 15 . 1 1 67 67 SER C C 67 177.352 177.352 176.536 0.816 17850 12393 1 15 . 1 1 67 67 SER CA C 67 61.581 61.581 61.297 0.284 17850 12394 1 15 . 1 1 67 67 SER CB C 67 61.379 61.379 62.894 -1.515 17850 12395 1 15 . 1 1 67 67 SER H H 67 9.035 9.035 8.022 1.013 17850 12396 1 15 . 1 1 68 68 GLU N N 68 123.071 123.071 120.133 2.938 17850 12397 1 15 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.971 0.164 17850 12398 1 15 . 1 1 68 68 GLU C C 68 178.895 178.895 178.015 0.880 17850 12399 1 15 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.158 -2.180 17850 12400 1 15 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.103 -0.826 17850 12401 1 15 . 1 1 68 68 GLU H H 68 6.829 6.829 8.561 -1.732 17850 12402 1 15 . 1 1 69 69 PHE N N 69 123.805 123.805 116.859 6.946 17850 12403 1 15 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.936 -0.037 17850 12404 1 15 . 1 1 69 69 PHE C C 69 176.325 176.325 176.282 0.043 17850 12405 1 15 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.209 1.217 17850 12406 1 15 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.726 2.702 17850 12407 1 15 . 1 1 69 69 PHE H H 69 8.245 8.245 7.483 0.762 17850 12408 1 15 . 1 1 70 70 LEU N N 70 119.210 119.210 118.782 0.428 17850 12409 1 15 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.917 -0.681 17850 12410 1 15 . 1 1 70 70 LEU C C 70 179.131 179.131 178.973 0.158 17850 12411 1 15 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.900 0.577 17850 12412 1 15 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.466 -0.138 17850 12413 1 15 . 1 1 70 70 LEU H H 70 8.788 8.788 7.633 1.155 17850 12414 1 15 . 1 1 71 71 ALA N N 71 121.612 121.612 122.663 -1.051 17850 12415 1 15 . 1 1 71 71 ALA HA H 71 3.909 3.909 3.989 -0.080 17850 12416 1 15 . 1 1 71 71 ALA C C 71 179.804 179.804 179.472 0.332 17850 12417 1 15 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.882 0.234 17850 12418 1 15 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.768 -1.006 17850 12419 1 15 . 1 1 71 71 ALA H H 71 7.365 7.365 7.887 -0.522 17850 12420 1 15 . 1 1 72 72 LEU N N 72 118.944 118.944 118.931 0.013 17850 12421 1 15 . 1 1 72 72 LEU HA H 72 3.964 3.964 4.129 -0.165 17850 12422 1 15 . 1 1 72 72 LEU C C 72 178.415 178.415 177.227 1.188 17850 12423 1 15 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.476 1.341 17850 12424 1 15 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.970 -0.502 17850 12425 1 15 . 1 1 72 72 LEU H H 72 7.142 7.142 7.649 -0.507 17850 12426 1 15 . 1 1 73 73 MET N N 73 114.500 114.500 116.656 -2.156 17850 12427 1 15 . 1 1 73 73 MET HA H 73 3.978 3.978 4.635 -0.657 17850 12428 1 15 . 1 1 73 73 MET C C 73 178.283 178.283 174.908 3.375 17850 12429 1 15 . 1 1 73 73 MET CA C 73 55.701 55.701 54.490 1.211 17850 12430 1 15 . 1 1 73 73 MET CB C 73 30.742 30.742 33.325 -2.583 17850 12431 1 15 . 1 1 73 73 MET H H 73 7.726 7.726 7.279 0.447 17850 12432 1 15 . 1 1 74 74 SER N N 74 112.626 112.626 115.129 -2.503 17850 12433 1 15 . 1 1 74 74 SER HA H 74 4.287 4.287 4.658 -0.371 17850 12434 1 15 . 1 1 74 74 SER C C 74 174.717 174.717 173.090 1.627 17850 12435 1 15 . 1 1 74 74 SER CA C 74 59.582 59.582 58.157 1.425 17850 12436 1 15 . 1 1 74 74 SER CB C 74 63.746 63.746 64.421 -0.675 17850 12437 1 15 . 1 1 74 74 SER H H 74 7.857 7.857 8.180 -0.323 17850 12438 1 15 . 1 1 75 75 ARG N N 75 122.130 122.130 117.396 4.734 17850 12439 1 15 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.415 -0.268 17850 12440 1 15 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.434 1.341 17850 12441 1 15 . 1 1 75 75 ARG CB C 75 30.666 30.666 30.761 -0.095 17850 12442 1 15 . 1 1 75 75 ARG H H 75 7.208 7.208 7.804 -0.596 17850 12443 1 15 . 1 1 76 76 GLN N N 76 121.749 121.749 117.393 4.356 17850 12444 1 15 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.545 -0.261 17850 12445 1 15 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.929 0.264 17850 12446 1 15 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.976 -1.919 17850 12447 1 15 . 1 1 76 76 GLN H H 76 8.327 8.327 7.787 0.540 17850 12448 1 15 . 1 1 77 77 LEU N N 77 124.093 124.093 122.162 1.931 17850 12449 1 15 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.522 -0.083 17850 12450 1 15 . 1 1 77 77 LEU C C 77 177.670 177.670 178.064 -0.394 17850 12451 1 15 . 1 1 77 77 LEU CA C 77 55.283 55.283 54.981 0.302 17850 12452 1 15 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.003 -0.223 17850 12453 1 15 . 1 1 77 77 LEU H H 77 8.264 8.264 8.575 -0.311 17850 12454 1 15 . 1 1 78 78 LYS N N 78 121.053 121.053 121.502 -0.449 17850 12455 1 15 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.228 0.179 17850 12456 1 15 . 1 1 78 78 LYS CA C 78 56.185 56.185 58.267 -2.082 17850 12457 1 15 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.533 0.744 17850 12458 1 15 . 1 1 78 78 LYS H H 78 8.433 8.433 8.356 0.077 17850 12459 1 15 . 1 1 79 79 SER N N 79 116.423 116.423 117.062 -0.639 17850 12460 1 15 . 1 1 79 79 SER HA H 79 4.321 4.321 4.561 -0.240 17850 12461 1 15 . 1 1 79 79 SER C C 79 175.145 175.145 174.007 1.138 17850 12462 1 15 . 1 1 79 79 SER CA C 79 59.795 59.795 57.599 2.196 17850 12463 1 15 . 1 1 79 79 SER CB C 79 63.226 63.226 61.996 1.230 17850 12464 1 15 . 1 1 79 79 SER H H 79 8.448 8.448 8.423 0.025 17850 12465 1 15 . 1 1 80 80 ASN N N 80 119.581 119.581 121.788 -2.207 17850 12466 1 15 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.427 0.272 17850 12467 1 15 . 1 1 80 80 ASN C C 80 175.726 175.726 176.911 -1.185 17850 12468 1 15 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.424 -2.011 17850 12469 1 15 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.744 -0.156 17850 12470 1 15 . 1 1 80 80 ASN H H 80 8.513 8.513 8.502 0.011 17850 12471 1 15 . 1 1 81 81 ASP N N 81 120.378 120.378 121.265 -0.887 17850 12472 1 15 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.203 0.427 17850 12473 1 15 . 1 1 81 81 ASP C C 81 177.281 177.281 178.216 -0.935 17850 12474 1 15 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.425 -1.832 17850 12475 1 15 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.346 1.260 17850 12476 1 15 . 1 1 81 81 ASP H H 81 7.957 7.957 8.691 -0.734 17850 12477 1 15 . 1 1 82 82 SER N N 82 117.046 117.046 116.925 0.121 17850 12478 1 15 . 1 1 82 82 SER HA H 82 4.194 4.194 3.932 0.262 17850 12479 1 15 . 1 1 82 82 SER C C 82 176.745 176.745 176.769 -0.024 17850 12480 1 15 . 1 1 82 82 SER CA C 82 61.376 61.376 61.674 -0.298 17850 12481 1 15 . 1 1 82 82 SER CB C 82 62.896 62.896 62.662 0.234 17850 12482 1 15 . 1 1 82 82 SER H H 82 8.469 8.469 8.738 -0.269 17850 12483 1 15 . 1 1 83 83 GLU N N 83 122.405 122.405 118.919 3.486 17850 12484 1 15 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.077 0.023 17850 12485 1 15 . 1 1 83 83 GLU C C 83 178.740 178.740 178.850 -0.110 17850 12486 1 15 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.442 0.023 17850 12487 1 15 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.497 -0.093 17850 12488 1 15 . 1 1 83 83 GLU H H 83 8.357 8.357 8.210 0.147 17850 12489 1 15 . 1 1 84 84 GLN N N 84 118.604 118.604 120.091 -1.487 17850 12490 1 15 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.422 -0.313 17850 12491 1 15 . 1 1 84 84 GLN C C 84 178.533 178.533 178.884 -0.351 17850 12492 1 15 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.070 0.397 17850 12493 1 15 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.027 0.394 17850 12494 1 15 . 1 1 84 84 GLN H H 84 7.988 7.988 7.753 0.235 17850 12495 1 15 . 1 1 85 85 GLU N N 85 119.418 119.418 120.036 -0.618 17850 12496 1 15 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.298 -0.356 17850 12497 1 15 . 1 1 85 85 GLU C C 85 178.250 178.250 178.844 -0.594 17850 12498 1 15 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.487 0.637 17850 12499 1 15 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.501 0.071 17850 12500 1 15 . 1 1 85 85 GLU H H 85 8.228 8.228 8.596 -0.368 17850 12501 1 15 . 1 1 86 86 LEU N N 86 120.010 120.010 117.501 2.509 17850 12502 1 15 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.322 -0.163 17850 12503 1 15 . 1 1 86 86 LEU C C 86 178.534 178.534 178.961 -0.427 17850 12504 1 15 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.098 0.109 17850 12505 1 15 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.092 0.534 17850 12506 1 15 . 1 1 86 86 LEU H H 86 7.797 7.797 8.285 -0.488 17850 12507 1 15 . 1 1 87 87 LEU N N 87 119.111 119.111 121.390 -2.279 17850 12508 1 15 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.146 -0.042 17850 12509 1 15 . 1 1 87 87 LEU C C 87 179.333 179.333 179.295 0.038 17850 12510 1 15 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.011 0.232 17850 12511 1 15 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.802 -0.036 17850 12512 1 15 . 1 1 87 87 LEU H H 87 7.825 7.825 8.793 -0.968 17850 12513 1 15 . 1 1 88 88 GLU N N 88 117.514 117.514 118.019 -0.505 17850 12514 1 15 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.626 -0.525 17850 12515 1 15 . 1 1 88 88 GLU C C 88 179.461 179.461 177.727 1.734 17850 12516 1 15 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.095 0.921 17850 12517 1 15 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.523 -0.853 17850 12518 1 15 . 1 1 88 88 GLU H H 88 8.265 8.265 8.067 0.198 17850 12519 1 15 . 1 1 89 89 ALA N N 89 120.734 120.734 124.954 -4.220 17850 12520 1 15 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.488 0.679 17850 12521 1 15 . 1 1 89 89 ALA C C 89 178.362 178.362 178.316 0.046 17850 12522 1 15 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.630 0.447 17850 12523 1 15 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.253 -1.270 17850 12524 1 15 . 1 1 89 89 ALA H H 89 8.192 8.192 7.773 0.419 17850 12525 1 15 . 1 1 90 90 PHE N N 90 119.339 119.339 118.146 1.193 17850 12526 1 15 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.969 -0.770 17850 12527 1 15 . 1 1 90 90 PHE C C 90 177.497 177.497 177.491 0.006 17850 12528 1 15 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.105 1.080 17850 12529 1 15 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.285 1.535 17850 12530 1 15 . 1 1 90 90 PHE H H 90 8.685 8.685 7.895 0.790 17850 12531 1 15 . 1 1 91 91 LYS N N 91 116.189 116.189 119.424 -3.235 17850 12532 1 15 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.968 -0.020 17850 12533 1 15 . 1 1 91 91 LYS C C 91 178.236 178.236 177.674 0.562 17850 12534 1 15 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.211 0.303 17850 12535 1 15 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.284 0.587 17850 12536 1 15 . 1 1 91 91 LYS H H 91 8.112 8.112 7.440 0.672 17850 12537 1 15 . 1 1 92 92 VAL N N 92 117.696 117.696 116.362 1.334 17850 12538 1 15 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.873 -0.301 17850 12539 1 15 . 1 1 92 92 VAL C C 92 176.545 176.545 176.815 -0.270 17850 12540 1 15 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.043 0.529 17850 12541 1 15 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.350 -0.924 17850 12542 1 15 . 1 1 92 92 VAL H H 92 7.383 7.383 7.483 -0.100 17850 12543 1 15 . 1 1 93 93 PHE N N 93 114.826 114.826 117.917 -3.091 17850 12544 1 15 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.626 -0.399 17850 12545 1 15 . 1 1 93 93 PHE C C 93 176.417 176.417 176.193 0.224 17850 12546 1 15 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.783 0.817 17850 12547 1 15 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.811 2.385 17850 12548 1 15 . 1 1 93 93 PHE H H 93 7.116 7.116 7.903 -0.787 17850 12549 1 15 . 1 1 94 94 ASP N N 94 116.753 116.753 124.759 -8.006 17850 12550 1 15 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.506 0.025 17850 12551 1 15 . 1 1 94 94 ASP C C 94 177.305 177.305 176.960 0.345 17850 12552 1 15 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.298 -2.827 17850 12553 1 15 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.437 -1.596 17850 12554 1 15 . 1 1 94 94 ASP H H 94 7.849 7.849 8.103 -0.254 17850 12555 1 15 . 1 1 95 95 LYS N N 95 125.185 125.185 119.819 5.366 17850 12556 1 15 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.151 -0.148 17850 12557 1 15 . 1 1 95 95 LYS C C 95 178.261 178.261 177.125 1.136 17850 12558 1 15 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.925 1.152 17850 12559 1 15 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.315 -1.125 17850 12560 1 15 . 1 1 95 95 LYS H H 95 7.755 7.755 7.696 0.059 17850 12561 1 15 . 1 1 96 96 ASN N N 96 112.542 112.542 119.986 -7.444 17850 12562 1 15 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.394 0.391 17850 12563 1 15 . 1 1 96 96 ASN C C 96 176.469 176.469 174.531 1.938 17850 12564 1 15 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.998 -1.136 17850 12565 1 15 . 1 1 96 96 ASN H H 96 8.069 8.069 8.206 -0.137 17850 12566 1 15 . 1 1 97 97 GLY N N 97 109.956 109.956 109.806 0.150 17850 12567 1 15 . 1 1 97 97 GLY C C 97 175.032 175.032 175.873 -0.841 17850 12568 1 15 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.358 3.350 17850 12569 1 15 . 1 1 97 97 GLY H H 97 7.686 7.686 8.430 -0.744 17850 12570 1 15 . 1 1 98 98 ASP N N 98 119.383 119.383 120.535 -1.152 17850 12571 1 15 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.357 0.196 17850 12572 1 15 . 1 1 98 98 ASP C C 98 177.274 177.274 174.621 2.653 17850 12573 1 15 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.669 -1.335 17850 12574 1 15 . 1 1 98 98 ASP H H 98 8.249 8.249 8.038 0.211 17850 12575 1 15 . 1 1 99 99 GLY N N 99 112.398 112.398 105.658 6.740 17850 12576 1 15 . 1 1 99 99 GLY C C 99 173.128 173.128 173.963 -0.835 17850 12577 1 15 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.822 1.907 17850 12578 1 15 . 1 1 99 99 GLY H H 99 10.390 10.390 8.181 2.209 17850 12579 1 15 . 1 1 100 100 LEU N N 100 120.803 120.803 125.916 -5.113 17850 12580 1 15 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.716 0.549 17850 12581 1 15 . 1 1 100 100 LEU C C 100 176.427 176.427 177.747 -1.320 17850 12582 1 15 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.005 -2.229 17850 12583 1 15 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.285 4.916 17850 12584 1 15 . 1 1 100 100 LEU H H 100 7.987 7.987 8.862 -0.875 17850 12585 1 15 . 1 1 101 101 ILE N N 101 125.286 125.286 128.572 -3.286 17850 12586 1 15 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.324 0.398 17850 12587 1 15 . 1 1 101 101 ILE C C 101 175.432 175.432 177.213 -1.781 17850 12588 1 15 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.764 -0.515 17850 12589 1 15 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.250 -0.186 17850 12590 1 15 . 1 1 101 101 ILE H H 101 9.698 9.698 8.177 1.521 17850 12591 1 15 . 1 1 102 102 SER N N 102 123.133 123.133 116.702 6.431 17850 12592 1 15 . 1 1 102 102 SER HA H 102 4.969 4.969 4.095 0.874 17850 12593 1 15 . 1 1 102 102 SER C C 102 175.298 175.298 176.497 -1.199 17850 12594 1 15 . 1 1 102 102 SER CA C 102 55.994 55.994 61.985 -5.991 17850 12595 1 15 . 1 1 102 102 SER CB C 102 66.456 66.456 62.405 4.051 17850 12596 1 15 . 1 1 102 102 SER H H 102 9.095 9.095 8.905 0.190 17850 12597 1 15 . 1 1 103 103 ALA N N 103 122.886 122.886 121.742 1.144 17850 12598 1 15 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.818 0.071 17850 12599 1 15 . 1 1 103 103 ALA C C 103 179.237 179.237 180.013 -0.776 17850 12600 1 15 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.057 1.025 17850 12601 1 15 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.927 0.130 17850 12602 1 15 . 1 1 103 103 ALA H H 103 8.691 8.691 8.257 0.434 17850 12603 1 15 . 1 1 104 104 ALA N N 104 118.317 118.317 119.793 -1.476 17850 12604 1 15 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.654 0.420 17850 12605 1 15 . 1 1 104 104 ALA C C 104 181.451 181.451 179.458 1.993 17850 12606 1 15 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.658 0.627 17850 12607 1 15 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.695 -0.260 17850 12608 1 15 . 1 1 104 104 ALA H H 104 8.392 8.392 7.772 0.620 17850 12609 1 15 . 1 1 105 105 GLU N N 105 120.398 120.398 118.124 2.274 17850 12610 1 15 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.662 -0.602 17850 12611 1 15 . 1 1 105 105 GLU C C 105 179.223 179.223 177.432 1.791 17850 12612 1 15 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.932 -0.469 17850 12613 1 15 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.008 -0.857 17850 12614 1 15 . 1 1 105 105 GLU H H 105 7.879 7.879 8.269 -0.390 17850 12615 1 15 . 1 1 106 106 LEU N N 106 120.023 120.023 119.881 0.142 17850 12616 1 15 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.898 0.265 17850 12617 1 15 . 1 1 106 106 LEU C C 106 178.503 178.503 178.769 -0.266 17850 12618 1 15 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.488 0.201 17850 12619 1 15 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.802 1.485 17850 12620 1 15 . 1 1 106 106 LEU H H 106 8.479 8.479 8.675 -0.196 17850 12621 1 15 . 1 1 107 107 LYS N N 107 117.064 117.064 120.725 -3.661 17850 12622 1 15 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.911 -0.093 17850 12623 1 15 . 1 1 107 107 LYS C C 107 179.039 179.039 178.780 0.259 17850 12624 1 15 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.302 1.006 17850 12625 1 15 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.162 0.728 17850 12626 1 15 . 1 1 107 107 LYS H H 107 8.758 8.758 8.318 0.440 17850 12627 1 15 . 1 1 108 108 HIS N N 108 119.125 119.125 118.403 0.722 17850 12628 1 15 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.652 0.664 17850 12629 1 15 . 1 1 108 108 HIS C C 108 178.394 178.394 177.269 1.125 17850 12630 1 15 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.109 1.078 17850 12631 1 15 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.860 1.632 17850 12632 1 15 . 1 1 108 108 HIS H H 108 8.287 8.287 7.521 0.766 17850 12633 1 15 . 1 1 109 109 VAL N N 109 119.525 119.525 119.608 -0.083 17850 12634 1 15 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.729 -0.244 17850 12635 1 15 . 1 1 109 109 VAL C C 109 178.246 178.246 178.259 -0.013 17850 12636 1 15 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.609 1.101 17850 12637 1 15 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.570 1.002 17850 12638 1 15 . 1 1 109 109 VAL H H 109 7.915 7.915 8.544 -0.629 17850 12639 1 15 . 1 1 110 110 LEU N N 110 117.403 117.403 119.549 -2.146 17850 12640 1 15 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.500 -0.520 17850 12641 1 15 . 1 1 110 110 LEU C C 110 178.968 178.968 177.769 1.199 17850 12642 1 15 . 1 1 110 110 LEU CA C 110 58.218 58.218 56.977 1.241 17850 12643 1 15 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.947 -1.419 17850 12644 1 15 . 1 1 110 110 LEU H H 110 8.269 8.269 8.266 0.003 17850 12645 1 15 . 1 1 111 111 THR N N 111 114.122 114.122 113.999 0.123 17850 12646 1 15 . 1 1 111 111 THR HA H 111 4.184 4.184 4.079 0.105 17850 12647 1 15 . 1 1 111 111 THR C C 111 178.534 178.534 174.288 4.246 17850 12648 1 15 . 1 1 111 111 THR CA C 111 66.252 66.252 63.319 2.933 17850 12649 1 15 . 1 1 111 111 THR CB C 111 68.851 68.851 68.662 0.189 17850 12650 1 15 . 1 1 111 111 THR H H 111 8.441 8.441 7.691 0.750 17850 12651 1 15 . 1 1 112 112 SER N N 112 119.981 119.981 106.884 13.097 17850 12652 1 15 . 1 1 112 112 SER HA H 112 4.215 4.215 4.606 -0.391 17850 12653 1 15 . 1 1 112 112 SER C C 112 175.523 175.523 174.456 1.067 17850 12654 1 15 . 1 1 112 112 SER CA C 112 62.197 62.197 57.998 4.199 17850 12655 1 15 . 1 1 112 112 SER CB C 112 62.936 62.936 65.128 -2.192 17850 12656 1 15 . 1 1 112 112 SER H H 112 7.910 7.910 7.160 0.750 17850 12657 1 15 . 1 1 113 113 ILE N N 113 112.726 112.726 118.801 -6.075 17850 12658 1 15 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.885 0.599 17850 12659 1 15 . 1 1 113 113 ILE C C 113 175.636 175.636 175.818 -0.182 17850 12660 1 15 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.347 -0.592 17850 12661 1 15 . 1 1 113 113 ILE H H 113 7.473 7.473 7.397 0.076 17850 12662 1 15 . 1 1 114 114 GLY N N 114 108.354 108.354 110.383 -2.029 17850 12663 1 15 . 1 1 114 114 GLY C C 114 174.583 174.583 173.950 0.633 17850 12664 1 15 . 1 1 114 114 GLY CA C 114 45.850 45.850 46.073 -0.223 17850 12665 1 15 . 1 1 114 114 GLY H H 114 7.652 7.652 7.939 -0.287 17850 12666 1 15 . 1 1 115 115 GLU N N 115 120.283 120.283 118.402 1.881 17850 12667 1 15 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.719 -0.414 17850 12668 1 15 . 1 1 115 115 GLU C C 115 175.444 175.444 175.533 -0.089 17850 12669 1 15 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.967 -0.835 17850 12670 1 15 . 1 1 115 115 GLU CB C 115 30.250 30.250 31.313 -1.063 17850 12671 1 15 . 1 1 115 115 GLU H H 115 8.045 8.045 8.410 -0.365 17850 12672 1 15 . 1 1 116 116 LYS N N 116 124.370 124.370 126.223 -1.853 17850 12673 1 15 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.857 -0.435 17850 12674 1 15 . 1 1 116 116 LYS C C 116 175.287 175.287 176.475 -1.188 17850 12675 1 15 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.237 0.398 17850 12676 1 15 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.998 -3.856 17850 12677 1 15 . 1 1 116 116 LYS H H 116 8.571 8.571 8.590 -0.019 17850 12678 1 15 . 1 1 117 117 LEU N N 117 125.492 125.492 121.076 4.416 17850 12679 1 15 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.260 0.524 17850 12680 1 15 . 1 1 117 117 LEU C C 117 177.161 177.161 177.309 -0.148 17850 12681 1 15 . 1 1 117 117 LEU CA C 117 54.233 54.233 54.127 0.106 17850 12682 1 15 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.831 1.167 17850 12683 1 15 . 1 1 117 117 LEU H H 117 8.042 8.042 8.640 -0.598 17850 12684 1 15 . 1 1 118 118 THR N N 118 113.255 113.255 116.219 -2.964 17850 12685 1 15 . 1 1 118 118 THR HA H 118 4.497 4.497 4.031 0.466 17850 12686 1 15 . 1 1 118 118 THR C C 118 175.335 175.335 176.303 -0.968 17850 12687 1 15 . 1 1 118 118 THR CA C 118 60.434 60.434 66.038 -5.604 17850 12688 1 15 . 1 1 118 118 THR CB C 118 71.193 71.193 68.717 2.476 17850 12689 1 15 . 1 1 118 118 THR H H 118 8.995 8.995 8.725 0.270 17850 12690 1 15 . 1 1 119 119 ASP N N 119 120.837 120.837 117.823 3.014 17850 12691 1 15 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.648 -0.416 17850 12692 1 15 . 1 1 119 119 ASP C C 119 178.422 178.422 177.692 0.730 17850 12693 1 15 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.053 2.044 17850 12694 1 15 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.340 -0.365 17850 12695 1 15 . 1 1 119 119 ASP H H 119 8.743 8.743 8.410 0.333 17850 12696 1 15 . 1 1 120 120 ALA N N 120 121.309 121.309 120.833 0.476 17850 12697 1 15 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.181 -0.015 17850 12698 1 15 . 1 1 120 120 ALA C C 120 179.796 179.796 179.596 0.200 17850 12699 1 15 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.511 0.517 17850 12700 1 15 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.484 -1.164 17850 12701 1 15 . 1 1 120 120 ALA H H 120 8.304 8.304 7.632 0.672 17850 12702 1 15 . 1 1 121 121 GLU N N 121 118.068 118.068 121.346 -3.278 17850 12703 1 15 . 1 1 121 121 GLU HA H 121 4.057 4.057 4.050 0.007 17850 12704 1 15 . 1 1 121 121 GLU C C 121 180.035 180.035 177.023 3.012 17850 12705 1 15 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.147 -0.909 17850 12706 1 15 . 1 1 121 121 GLU CB C 121 30.429 30.429 30.239 0.190 17850 12707 1 15 . 1 1 121 121 GLU H H 121 7.705 7.705 8.420 -0.715 17850 12708 1 15 . 1 1 122 122 VAL N N 122 120.636 120.636 118.264 2.372 17850 12709 1 15 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.782 -0.245 17850 12710 1 15 . 1 1 122 122 VAL C C 122 177.120 177.120 177.407 -0.287 17850 12711 1 15 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.770 1.272 17850 12712 1 15 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.863 -0.471 17850 12713 1 15 . 1 1 122 122 VAL H H 122 7.935 7.935 8.020 -0.085 17850 12714 1 15 . 1 1 123 123 ASP N N 123 120.336 120.336 117.639 2.697 17850 12715 1 15 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.492 -0.189 17850 12716 1 15 . 1 1 123 123 ASP C C 123 179.023 179.023 178.086 0.937 17850 12717 1 15 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.417 1.526 17850 12718 1 15 . 1 1 123 123 ASP CB C 123 40.671 40.671 40.949 -0.278 17850 12719 1 15 . 1 1 123 123 ASP H H 123 8.204 8.204 7.868 0.336 17850 12720 1 15 . 1 1 124 124 ASP N N 124 118.890 118.890 120.135 -1.245 17850 12721 1 15 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.332 0.008 17850 12722 1 15 . 1 1 124 124 ASP C C 124 178.527 178.527 177.697 0.830 17850 12723 1 15 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.038 0.484 17850 12724 1 15 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.711 0.109 17850 12725 1 15 . 1 1 124 124 ASP H H 124 8.272 8.272 7.383 0.889 17850 12726 1 15 . 1 1 125 125 MET N N 125 119.365 119.365 115.553 3.812 17850 12727 1 15 . 1 1 125 125 MET HA H 125 4.091 4.091 4.289 -0.198 17850 12728 1 15 . 1 1 125 125 MET C C 125 178.021 178.021 178.581 -0.560 17850 12729 1 15 . 1 1 125 125 MET CA C 125 59.205 59.205 57.413 1.792 17850 12730 1 15 . 1 1 125 125 MET CB C 125 33.281 33.281 30.986 2.295 17850 12731 1 15 . 1 1 125 125 MET H H 125 7.750 7.750 8.143 -0.393 17850 12732 1 15 . 1 1 126 126 LEU N N 126 117.193 117.193 119.524 -2.331 17850 12733 1 15 . 1 1 126 126 LEU HA H 126 3.924 3.924 4.010 -0.086 17850 12734 1 15 . 1 1 126 126 LEU C C 126 180.267 180.267 180.028 0.239 17850 12735 1 15 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.809 -0.008 17850 12736 1 15 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.314 0.300 17850 12737 1 15 . 1 1 126 126 LEU H H 126 8.152 8.152 7.556 0.596 17850 12738 1 15 . 1 1 127 127 ARG N N 127 120.792 120.792 117.794 2.998 17850 12739 1 15 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.083 -0.042 17850 12740 1 15 . 1 1 127 127 ARG C C 127 178.027 178.027 177.819 0.208 17850 12741 1 15 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.638 0.643 17850 12742 1 15 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.276 -0.276 17850 12743 1 15 . 1 1 127 127 ARG H H 127 8.335 8.335 7.629 0.706 17850 12744 1 15 . 1 1 128 128 GLU N N 128 117.142 117.142 111.240 5.902 17850 12745 1 15 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.650 -0.544 17850 12746 1 15 . 1 1 128 128 GLU C C 128 178.618 178.618 175.933 2.685 17850 12747 1 15 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.385 3.821 17850 12748 1 15 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.613 -0.219 17850 12749 1 15 . 1 1 128 128 GLU H H 128 7.667 7.667 8.245 -0.578 17850 12750 1 15 . 1 1 129 129 VAL N N 129 108.345 108.345 118.866 -10.521 17850 12751 1 15 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.129 0.358 17850 12752 1 15 . 1 1 129 129 VAL C C 129 175.591 175.591 176.490 -0.899 17850 12753 1 15 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.417 -0.754 17850 12754 1 15 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.613 0.396 17850 12755 1 15 . 1 1 129 129 VAL H H 129 7.470 7.470 7.898 -0.428 17850 12756 1 15 . 1 1 130 130 SER N N 130 115.012 115.012 117.939 -2.927 17850 12757 1 15 . 1 1 130 130 SER HA H 130 4.670 4.670 4.127 0.543 17850 12758 1 15 . 1 1 130 130 SER C C 130 174.414 174.414 174.290 0.124 17850 12759 1 15 . 1 1 130 130 SER CA C 130 58.067 58.067 59.382 -1.315 17850 12760 1 15 . 1 1 130 130 SER CB C 130 65.814 65.814 61.621 4.193 17850 12761 1 15 . 1 1 130 130 SER H H 130 7.858 7.858 8.061 -0.203 17850 12762 1 15 . 1 1 131 131 ASP N N 131 120.972 120.972 116.371 4.601 17850 12763 1 15 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.230 0.336 17850 12764 1 15 . 1 1 131 131 ASP C C 131 176.676 176.676 175.721 0.955 17850 12765 1 15 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.899 -0.116 17850 12766 1 15 . 1 1 131 131 ASP H H 131 8.478 8.478 7.947 0.531 17850 12767 1 15 . 1 1 132 132 GLY N N 132 105.512 105.512 109.018 -3.506 17850 12768 1 15 . 1 1 132 132 GLY C C 132 174.924 174.924 175.252 -0.328 17850 12769 1 15 . 1 1 132 132 GLY CA C 132 45.670 45.670 45.947 -0.277 17850 12770 1 15 . 1 1 132 132 GLY H H 132 8.352 8.352 8.278 0.074 17850 12771 1 15 . 1 1 133 133 SER N N 133 116.718 116.718 114.328 2.390 17850 12772 1 15 . 1 1 133 133 SER HA H 133 4.435 4.435 4.517 -0.082 17850 12773 1 15 . 1 1 133 133 SER C C 133 175.404 175.404 172.952 2.452 17850 12774 1 15 . 1 1 133 133 SER CA C 133 59.340 59.340 58.019 1.321 17850 12775 1 15 . 1 1 133 133 SER H H 133 8.104 8.104 8.488 -0.384 17850 12776 1 15 . 1 1 134 134 GLY N N 134 109.601 109.601 109.110 0.491 17850 12777 1 15 . 1 1 134 134 GLY C C 134 172.547 172.547 173.059 -0.512 17850 12778 1 15 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.042 2.781 17850 12779 1 15 . 1 1 134 134 GLY H H 134 8.555 8.555 7.499 1.056 17850 12780 1 15 . 1 1 135 135 GLU N N 135 117.166 117.166 116.219 0.947 17850 12781 1 15 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.897 0.130 17850 12782 1 15 . 1 1 135 135 GLU C C 135 175.280 175.280 175.116 0.164 17850 12783 1 15 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.638 0.097 17850 12784 1 15 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.865 1.009 17850 12785 1 15 . 1 1 135 135 GLU H H 135 7.641 7.641 8.087 -0.446 17850 12786 1 15 . 1 1 136 136 ILE N N 136 114.256 114.256 126.596 -12.340 17850 12787 1 15 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.860 0.216 17850 12788 1 15 . 1 1 136 136 ILE C C 136 175.228 175.228 177.268 -2.040 17850 12789 1 15 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.727 -0.329 17850 12790 1 15 . 1 1 136 136 ILE CB C 136 41.652 41.652 38.994 2.658 17850 12791 1 15 . 1 1 136 136 ILE H H 136 8.565 8.565 8.480 0.085 17850 12792 1 15 . 1 1 137 137 ASN N N 137 121.842 121.842 118.555 3.287 17850 12793 1 15 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.848 1.417 17850 12794 1 15 . 1 1 137 137 ASN C C 137 176.835 176.835 176.510 0.325 17850 12795 1 15 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.982 -3.955 17850 12796 1 15 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.734 1.979 17850 12797 1 15 . 1 1 137 137 ASN H H 137 8.767 8.767 8.676 0.091 17850 12798 1 15 . 1 1 138 138 ILE N N 138 118.075 118.075 118.529 -0.454 17850 12799 1 15 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.899 -0.147 17850 12800 1 15 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.280 0.492 17850 12801 1 15 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.752 0.801 17850 12802 1 15 . 1 1 138 138 ILE H H 138 8.418 8.418 8.433 -0.015 17850 12803 1 15 . 1 1 139 139 GLN N N 139 122.926 122.926 119.834 3.092 17850 12804 1 15 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.040 0.086 17850 12805 1 15 . 1 1 139 139 GLN C C 139 179.886 179.886 178.900 0.986 17850 12806 1 15 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.809 0.777 17850 12807 1 15 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.474 -0.688 17850 12808 1 15 . 1 1 139 139 GLN H H 139 7.632 7.632 8.010 -0.378 17850 12809 1 15 . 1 1 140 140 GLN N N 140 121.813 121.813 120.652 1.161 17850 12810 1 15 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.814 0.347 17850 12811 1 15 . 1 1 140 140 GLN C C 140 178.284 178.284 177.389 0.895 17850 12812 1 15 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.779 -0.563 17850 12813 1 15 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.391 0.047 17850 12814 1 15 . 1 1 140 140 GLN H H 140 8.416 8.416 8.929 -0.513 17850 12815 1 15 . 1 1 141 141 PHE N N 141 121.732 121.732 118.553 3.179 17850 12816 1 15 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.661 0.491 17850 12817 1 15 . 1 1 141 141 PHE C C 141 176.273 176.273 176.545 -0.272 17850 12818 1 15 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.352 0.608 17850 12819 1 15 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.070 1.991 17850 12820 1 15 . 1 1 141 141 PHE H H 141 9.030 9.030 7.963 1.067 17850 12821 1 15 . 1 1 142 142 ALA N N 142 119.852 119.852 120.346 -0.494 17850 12822 1 15 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.958 -0.155 17850 12823 1 15 . 1 1 142 142 ALA C C 142 180.733 180.733 179.717 1.016 17850 12824 1 15 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.658 0.552 17850 12825 1 15 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.174 -0.272 17850 12826 1 15 . 1 1 142 142 ALA H H 142 8.399 8.399 7.973 0.426 17850 12827 1 15 . 1 1 143 143 ALA N N 143 120.555 120.555 119.371 1.184 17850 12828 1 15 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.978 0.136 17850 12829 1 15 . 1 1 143 143 ALA C C 143 180.455 180.455 178.951 1.504 17850 12830 1 15 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.800 0.213 17850 12831 1 15 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.206 -1.357 17850 12832 1 15 . 1 1 143 143 ALA H H 143 7.627 7.627 7.771 -0.144 17850 12833 1 15 . 1 1 144 144 LEU N N 144 121.054 121.054 114.791 6.263 17850 12834 1 15 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.075 -0.142 17850 12835 1 15 . 1 1 144 144 LEU C C 144 177.756 177.756 177.327 0.429 17850 12836 1 15 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.254 2.442 17850 12837 1 15 . 1 1 144 144 LEU CB C 144 41.838 41.838 40.789 1.048 17850 12838 1 15 . 1 1 144 144 LEU H H 144 8.029 8.029 7.060 0.969 17850 12839 1 15 . 1 1 145 145 LEU N N 145 115.288 115.288 118.721 -3.433 17850 12840 1 15 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.342 -0.369 17850 12841 1 15 . 1 1 145 145 LEU C C 145 177.284 177.284 177.199 0.085 17850 12842 1 15 . 1 1 145 145 LEU CA C 145 55.284 55.284 56.059 -0.775 17850 12843 1 15 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.759 -1.149 17850 12844 1 15 . 1 1 145 145 LEU H H 145 7.309 7.309 7.849 -0.540 17850 12845 1 15 . 1 1 146 146 SER N N 146 114.503 114.503 114.215 0.288 17850 12846 1 15 . 1 1 146 146 SER HA H 146 4.346 4.346 4.541 -0.195 17850 12847 1 15 . 1 1 146 146 SER C C 146 175.125 175.125 174.388 0.737 17850 12848 1 15 . 1 1 146 146 SER CA C 146 59.046 59.046 58.066 0.980 17850 12849 1 15 . 1 1 146 146 SER CB C 146 64.181 64.181 65.823 -1.642 17850 12850 1 15 . 1 1 146 146 SER H H 146 7.506 7.506 8.158 -0.652 17850 12851 1 15 . 1 1 147 147 LYS N N 147 123.315 123.315 120.477 2.838 17850 12852 1 15 . 1 1 147 147 LYS HA H 147 4.167 4.167 3.989 0.178 17850 12853 1 15 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.247 1.435 17850 12854 1 15 . 1 1 147 147 LYS H H 147 8.329 8.329 8.363 -0.034 17850 12855 1 15 . 1 1 148 148 GLY N N 148 108.566 108.566 110.715 -2.149 17850 12856 1 15 . 1 1 148 148 GLY C C 148 174.394 174.394 173.619 0.775 17850 12857 1 15 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.343 0.185 17850 12858 1 15 . 1 1 148 148 GLY H H 148 8.353 8.353 8.029 0.324 17850 12859 1 15 . 1 1 149 149 SER N N 149 115.356 115.356 118.497 -3.141 17850 12860 1 15 . 1 1 149 149 SER HA H 149 4.484 4.484 4.261 0.223 17850 12861 1 15 . 1 1 149 149 SER C C 149 175.038 175.038 173.359 1.679 17850 12862 1 15 . 1 1 149 149 SER CA C 149 58.418 58.418 58.944 -0.526 17850 12863 1 15 . 1 1 149 149 SER CB C 149 64.171 64.171 62.588 1.583 17850 12864 1 15 . 1 1 149 149 SER H H 149 7.993 7.993 8.570 -0.577 17850 12865 1 15 . 1 1 150 150 SER N N 150 118.028 118.028 112.841 5.187 17850 12866 1 15 . 1 1 150 150 SER HA H 150 4.490 4.490 4.618 -0.128 17850 12867 1 15 . 1 1 150 150 SER C C 150 175.034 175.034 173.807 1.227 17850 12868 1 15 . 1 1 150 150 SER CA C 150 59.029 59.029 57.027 2.002 17850 12869 1 15 . 1 1 150 150 SER CB C 150 63.407 63.407 65.696 -2.289 17850 12870 1 15 . 1 1 150 150 SER H H 150 8.530 8.530 7.809 0.721 17850 12871 1 16 . 1 1 1 1 GLY N N 1 109.911 109.911 109.359 0.552 17850 12872 1 16 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.822 0.614 17850 12873 1 16 . 1 1 1 1 GLY H H 1 8.410 8.410 8.347 0.063 17850 12874 1 16 . 1 1 2 2 SER N N 2 115.579 115.579 115.962 -0.383 17850 12875 1 16 . 1 1 2 2 SER HA H 2 4.474 4.474 4.647 -0.173 17850 12876 1 16 . 1 1 2 2 SER C C 2 174.661 174.661 172.686 1.975 17850 12877 1 16 . 1 1 2 2 SER CA C 2 58.374 58.374 58.266 0.108 17850 12878 1 16 . 1 1 2 2 SER CB C 2 63.986 63.986 64.480 -0.494 17850 12879 1 16 . 1 1 2 2 SER H H 2 8.207 8.207 8.318 -0.111 17850 12880 1 16 . 1 1 3 3 SER N N 3 117.154 117.154 116.077 1.077 17850 12881 1 16 . 1 1 3 3 SER HA H 3 4.439 4.439 4.660 -0.221 17850 12882 1 16 . 1 1 3 3 SER C C 3 174.122 174.122 173.121 1.001 17850 12883 1 16 . 1 1 3 3 SER CA C 3 58.695 58.695 57.708 0.987 17850 12884 1 16 . 1 1 3 3 SER CB C 3 63.865 63.865 63.862 0.003 17850 12885 1 16 . 1 1 3 3 SER H H 3 8.337 8.337 8.420 -0.083 17850 12886 1 16 . 1 1 4 4 ASN N N 4 120.145 120.145 118.499 1.646 17850 12887 1 16 . 1 1 4 4 ASN HA H 4 4.726 4.726 4.953 -0.227 17850 12888 1 16 . 1 1 4 4 ASN C C 4 174.741 174.741 175.115 -0.374 17850 12889 1 16 . 1 1 4 4 ASN CA C 4 53.326 53.326 53.940 -0.614 17850 12890 1 16 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.685 -0.883 17850 12891 1 16 . 1 1 4 4 ASN H H 4 8.432 8.432 8.314 0.118 17850 12892 1 16 . 1 1 5 5 LEU N N 5 121.341 121.341 118.820 2.521 17850 12893 1 16 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.535 0.144 17850 12894 1 16 . 1 1 5 5 LEU C C 5 177.641 177.641 177.394 0.247 17850 12895 1 16 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.949 1.516 17850 12896 1 16 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.569 -0.856 17850 12897 1 16 . 1 1 5 5 LEU H H 5 7.966 7.966 8.110 -0.144 17850 12898 1 16 . 1 1 6 6 THR N N 6 113.168 113.168 116.171 -3.003 17850 12899 1 16 . 1 1 6 6 THR HA H 6 4.470 4.470 3.921 0.549 17850 12900 1 16 . 1 1 6 6 THR C C 6 175.390 175.390 176.381 -0.991 17850 12901 1 16 . 1 1 6 6 THR CA C 6 60.543 60.543 65.601 -5.058 17850 12902 1 16 . 1 1 6 6 THR CB C 6 71.190 71.190 68.402 2.788 17850 12903 1 16 . 1 1 6 6 THR H H 6 8.716 8.716 8.835 -0.119 17850 12904 1 16 . 1 1 7 7 GLU N N 7 120.480 120.480 119.592 0.888 17850 12905 1 16 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.063 -0.078 17850 12906 1 16 . 1 1 7 7 GLU C C 7 179.475 179.475 178.526 0.949 17850 12907 1 16 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.731 1.342 17850 12908 1 16 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.588 -0.295 17850 12909 1 16 . 1 1 7 7 GLU H H 7 8.997 8.997 7.730 1.267 17850 12910 1 16 . 1 1 8 8 GLU N N 8 119.766 119.766 117.867 1.899 17850 12911 1 16 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.061 0.026 17850 12912 1 16 . 1 1 8 8 GLU C C 8 178.641 178.641 179.200 -0.559 17850 12913 1 16 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.618 1.217 17850 12914 1 16 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.848 -0.450 17850 12915 1 16 . 1 1 8 8 GLU H H 8 8.603 8.603 8.314 0.289 17850 12916 1 16 . 1 1 9 9 GLN N N 9 119.234 119.234 119.746 -0.512 17850 12917 1 16 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.205 -0.276 17850 12918 1 16 . 1 1 9 9 GLN C C 9 178.969 178.969 178.242 0.727 17850 12919 1 16 . 1 1 9 9 GLN CA C 9 58.718 58.718 57.039 1.679 17850 12920 1 16 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.874 2.708 17850 12921 1 16 . 1 1 9 9 GLN H H 9 7.730 7.730 8.425 -0.695 17850 12922 1 16 . 1 1 10 10 ILE N N 10 119.661 119.661 117.987 1.674 17850 12923 1 16 . 1 1 10 10 ILE HA H 10 3.763 3.763 3.946 -0.183 17850 12924 1 16 . 1 1 10 10 ILE C C 10 178.040 178.040 177.864 0.176 17850 12925 1 16 . 1 1 10 10 ILE CA C 10 66.221 66.221 64.334 1.887 17850 12926 1 16 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.197 0.755 17850 12927 1 16 . 1 1 10 10 ILE H H 10 8.398 8.398 7.919 0.479 17850 12928 1 16 . 1 1 11 11 ALA N N 11 121.678 121.678 121.945 -0.267 17850 12929 1 16 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.074 0.059 17850 12930 1 16 . 1 1 11 11 ALA C C 11 181.140 181.140 179.803 1.337 17850 12931 1 16 . 1 1 11 11 ALA CA C 11 55.454 55.454 53.686 1.768 17850 12932 1 16 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.672 -0.760 17850 12933 1 16 . 1 1 11 11 ALA H H 11 8.037 8.037 7.485 0.552 17850 12934 1 16 . 1 1 12 12 GLU N N 12 118.175 118.175 119.648 -1.473 17850 12935 1 16 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.196 -0.078 17850 12936 1 16 . 1 1 12 12 GLU C C 12 180.185 180.185 178.997 1.188 17850 12937 1 16 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.619 -0.424 17850 12938 1 16 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.912 0.467 17850 12939 1 16 . 1 1 12 12 GLU H H 12 7.869 7.869 7.360 0.509 17850 12940 1 16 . 1 1 13 13 PHE N N 13 119.011 119.011 118.819 0.192 17850 12941 1 16 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.025 0.865 17850 12942 1 16 . 1 1 13 13 PHE C C 13 178.486 178.486 177.867 0.619 17850 12943 1 16 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.295 -0.846 17850 12944 1 16 . 1 1 13 13 PHE CB C 13 38.899 38.899 37.907 0.992 17850 12945 1 16 . 1 1 13 13 PHE H H 13 8.429 8.429 9.070 -0.641 17850 12946 1 16 . 1 1 14 14 LYS N N 14 123.459 123.459 119.645 3.814 17850 12947 1 16 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.065 -0.033 17850 12948 1 16 . 1 1 14 14 LYS C C 14 179.131 179.131 178.858 0.273 17850 12949 1 16 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.829 1.661 17850 12950 1 16 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.154 -0.241 17850 12951 1 16 . 1 1 14 14 LYS H H 14 8.925 8.925 8.038 0.887 17850 12952 1 16 . 1 1 15 15 GLU N N 15 119.581 119.581 119.325 0.256 17850 12953 1 16 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.368 -0.200 17850 12954 1 16 . 1 1 15 15 GLU C C 15 179.163 179.163 178.122 1.041 17850 12955 1 16 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.045 0.340 17850 12956 1 16 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.393 -0.006 17850 12957 1 16 . 1 1 15 15 GLU H H 15 8.064 8.064 7.877 0.187 17850 12958 1 16 . 1 1 16 16 ALA N N 16 120.993 120.993 120.967 0.026 17850 12959 1 16 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.014 1.228 17850 12960 1 16 . 1 1 16 16 ALA C C 16 177.628 177.628 177.964 -0.336 17850 12961 1 16 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.376 2.809 17850 12962 1 16 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.329 -1.405 17850 12963 1 16 . 1 1 16 16 ALA H H 16 7.801 7.801 8.099 -0.298 17850 12964 1 16 . 1 1 17 17 PHE N N 17 118.745 118.745 118.993 -0.248 17850 12965 1 16 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.149 -0.795 17850 12966 1 16 . 1 1 17 17 PHE C C 17 177.500 177.500 176.897 0.603 17850 12967 1 16 . 1 1 17 17 PHE CA C 17 61.700 61.700 59.909 1.791 17850 12968 1 16 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.105 1.873 17850 12969 1 16 . 1 1 17 17 PHE H H 17 8.469 8.469 7.691 0.778 17850 12970 1 16 . 1 1 18 18 ALA N N 18 119.942 119.942 118.192 1.750 17850 12971 1 16 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.717 0.293 17850 12972 1 16 . 1 1 18 18 ALA C C 18 178.535 178.535 178.553 -0.018 17850 12973 1 16 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.423 -0.007 17850 12974 1 16 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.401 0.086 17850 12975 1 16 . 1 1 18 18 ALA H H 18 8.187 8.187 7.217 0.970 17850 12976 1 16 . 1 1 19 19 LEU N N 19 116.851 116.851 115.028 1.823 17850 12977 1 16 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.198 -0.238 17850 12978 1 16 . 1 1 19 19 LEU C C 19 176.795 176.795 177.387 -0.592 17850 12979 1 16 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.852 2.583 17850 12980 1 16 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.837 -1.155 17850 12981 1 16 . 1 1 19 19 LEU H H 19 7.254 7.254 7.366 -0.112 17850 12982 1 16 . 1 1 20 20 PHE N N 20 111.977 111.977 120.797 -8.820 17850 12983 1 16 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.067 0.192 17850 12984 1 16 . 1 1 20 20 PHE C C 20 177.033 177.033 176.645 0.388 17850 12985 1 16 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.197 -0.541 17850 12986 1 16 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.841 4.323 17850 12987 1 16 . 1 1 20 20 PHE H H 20 7.041 7.041 7.649 -0.608 17850 12988 1 16 . 1 1 21 21 ASP N N 21 116.981 116.981 124.382 -7.401 17850 12989 1 16 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.335 0.250 17850 12990 1 16 . 1 1 21 21 ASP C C 21 177.297 177.297 176.951 0.346 17850 12991 1 16 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.163 -3.492 17850 12992 1 16 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.370 -1.368 17850 12993 1 16 . 1 1 21 21 ASP H H 21 7.567 7.567 8.073 -0.506 17850 12994 1 16 . 1 1 22 22 LYS N N 22 124.748 124.748 115.156 9.592 17850 12995 1 16 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.160 -0.168 17850 12996 1 16 . 1 1 22 22 LYS C C 22 177.866 177.866 175.492 2.374 17850 12997 1 16 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.029 2.204 17850 12998 1 16 . 1 1 22 22 LYS CB C 22 32.627 32.627 31.783 0.844 17850 12999 1 16 . 1 1 22 22 LYS H H 22 7.820 7.820 8.206 -0.386 17850 13000 1 16 . 1 1 23 23 ASP N N 23 114.211 114.211 117.231 -3.020 17850 13001 1 16 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.470 0.133 17850 13002 1 16 . 1 1 23 23 ASP C C 23 176.266 176.266 175.643 0.623 17850 13003 1 16 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.746 -2.099 17850 13004 1 16 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.677 -0.394 17850 13005 1 16 . 1 1 23 23 ASP H H 23 8.025 8.025 8.120 -0.095 17850 13006 1 16 . 1 1 24 24 ASN N N 24 115.587 115.587 117.070 -1.483 17850 13007 1 16 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.700 -0.311 17850 13008 1 16 . 1 1 24 24 ASN C C 24 174.828 174.828 176.165 -1.337 17850 13009 1 16 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.861 1.646 17850 13010 1 16 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.877 -0.846 17850 13011 1 16 . 1 1 24 24 ASN H H 24 7.962 7.962 8.224 -0.262 17850 13012 1 16 . 1 1 25 25 ASN N N 25 117.385 117.385 118.797 -1.412 17850 13013 1 16 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.708 0.140 17850 13014 1 16 . 1 1 25 25 ASN C C 25 177.553 177.553 174.356 3.197 17850 13015 1 16 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.049 -0.734 17850 13016 1 16 . 1 1 25 25 ASN H H 25 8.489 8.489 7.917 0.572 17850 13017 1 16 . 1 1 26 26 GLY N N 26 113.934 113.934 106.916 7.018 17850 13018 1 16 . 1 1 26 26 GLY C C 26 173.371 173.371 173.576 -0.205 17850 13019 1 16 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.072 0.466 17850 13020 1 16 . 1 1 26 26 GLY H H 26 10.580 10.580 8.498 2.082 17850 13021 1 16 . 1 1 27 27 SER N N 27 113.842 113.842 121.930 -8.088 17850 13022 1 16 . 1 1 27 27 SER HA H 27 5.358 5.358 4.925 0.433 17850 13023 1 16 . 1 1 27 27 SER C C 27 172.645 172.645 175.318 -2.673 17850 13024 1 16 . 1 1 27 27 SER CA C 27 57.474 57.474 57.404 0.070 17850 13025 1 16 . 1 1 27 27 SER CB C 27 66.576 66.576 63.435 3.141 17850 13026 1 16 . 1 1 27 27 SER H H 27 7.793 7.793 9.057 -1.264 17850 13027 1 16 . 1 1 28 28 ILE N N 28 127.597 127.597 128.087 -0.490 17850 13028 1 16 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.038 0.787 17850 13029 1 16 . 1 1 28 28 ILE C C 28 175.890 175.890 177.348 -1.458 17850 13030 1 16 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.533 -0.357 17850 13031 1 16 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.590 -0.496 17850 13032 1 16 . 1 1 28 28 ILE H H 28 9.787 9.787 8.976 0.811 17850 13033 1 16 . 1 1 29 29 SER N N 29 124.860 124.860 117.662 7.198 17850 13034 1 16 . 1 1 29 29 SER HA H 29 4.813 4.813 4.174 0.639 17850 13035 1 16 . 1 1 29 29 SER C C 29 175.477 175.477 176.499 -1.022 17850 13036 1 16 . 1 1 29 29 SER CA C 29 56.583 56.583 60.911 -4.328 17850 13037 1 16 . 1 1 29 29 SER CB C 29 66.269 66.269 62.712 3.557 17850 13038 1 16 . 1 1 29 29 SER H H 29 9.320 9.320 8.490 0.830 17850 13039 1 16 . 1 1 30 30 SER N N 30 117.383 117.383 116.533 0.850 17850 13040 1 16 . 1 1 30 30 SER HA H 30 4.141 4.141 4.463 -0.322 17850 13041 1 16 . 1 1 30 30 SER C C 30 176.531 176.531 175.699 0.832 17850 13042 1 16 . 1 1 30 30 SER CA C 30 62.690 62.690 60.371 2.319 17850 13043 1 16 . 1 1 30 30 SER CB C 30 62.264 62.264 63.206 -0.942 17850 13044 1 16 . 1 1 30 30 SER H H 30 9.554 9.554 8.048 1.506 17850 13045 1 16 . 1 1 31 31 SER N N 31 116.232 116.232 116.585 -0.353 17850 13046 1 16 . 1 1 31 31 SER HA H 31 4.309 4.309 4.309 0.000 17850 13047 1 16 . 1 1 31 31 SER C C 31 178.017 178.017 175.936 2.081 17850 13048 1 16 . 1 1 31 31 SER CA C 31 61.332 61.332 60.451 0.881 17850 13049 1 16 . 1 1 31 31 SER CB C 31 62.512 62.512 63.721 -1.209 17850 13050 1 16 . 1 1 31 31 SER H H 31 8.141 8.141 7.579 0.562 17850 13051 1 16 . 1 1 32 32 GLU N N 32 125.663 125.663 119.608 6.055 17850 13052 1 16 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.244 -0.191 17850 13053 1 16 . 1 1 32 32 GLU C C 32 179.222 179.222 177.644 1.578 17850 13054 1 16 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.573 0.126 17850 13055 1 16 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.776 -0.523 17850 13056 1 16 . 1 1 32 32 GLU H H 32 7.947 7.947 8.604 -0.657 17850 13057 1 16 . 1 1 33 33 LEU N N 33 120.624 120.624 117.705 2.919 17850 13058 1 16 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.078 0.090 17850 13059 1 16 . 1 1 33 33 LEU C C 33 178.493 178.493 178.659 -0.166 17850 13060 1 16 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.401 1.506 17850 13061 1 16 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.201 1.116 17850 13062 1 16 . 1 1 33 33 LEU H H 33 8.424 8.424 7.725 0.699 17850 13063 1 16 . 1 1 34 34 ALA N N 34 119.635 119.635 120.740 -1.105 17850 13064 1 16 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.049 -0.225 17850 13065 1 16 . 1 1 34 34 ALA C C 34 179.360 179.360 178.725 0.635 17850 13066 1 16 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.380 -0.784 17850 13067 1 16 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.843 -0.166 17850 13068 1 16 . 1 1 34 34 ALA H H 34 8.410 8.410 7.990 0.420 17850 13069 1 16 . 1 1 35 35 THR N N 35 114.602 114.602 117.145 -2.543 17850 13070 1 16 . 1 1 35 35 THR HA H 35 3.886 3.886 3.955 -0.069 17850 13071 1 16 . 1 1 35 35 THR C C 35 177.278 177.278 175.857 1.421 17850 13072 1 16 . 1 1 35 35 THR CA C 35 67.317 67.317 65.472 1.845 17850 13073 1 16 . 1 1 35 35 THR CB C 35 68.774 68.774 68.821 -0.047 17850 13074 1 16 . 1 1 35 35 THR H H 35 8.263 8.263 7.937 0.326 17850 13075 1 16 . 1 1 36 36 VAL N N 36 122.295 122.295 117.386 4.909 17850 13076 1 16 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.640 -0.035 17850 13077 1 16 . 1 1 36 36 VAL C C 36 178.653 178.653 178.434 0.219 17850 13078 1 16 . 1 1 36 36 VAL CA C 36 66.738 66.738 65.908 0.830 17850 13079 1 16 . 1 1 36 36 VAL CB C 36 31.303 31.303 30.682 0.621 17850 13080 1 16 . 1 1 36 36 VAL H H 36 7.790 7.790 7.655 0.135 17850 13081 1 16 . 1 1 37 37 MET N N 37 117.677 117.677 117.796 -0.119 17850 13082 1 16 . 1 1 37 37 MET HA H 37 3.642 3.642 4.454 -0.812 17850 13083 1 16 . 1 1 37 37 MET C C 37 178.172 178.172 179.058 -0.886 17850 13084 1 16 . 1 1 37 37 MET CA C 37 60.506 60.506 58.208 2.298 17850 13085 1 16 . 1 1 37 37 MET CB C 37 32.347 32.347 31.715 0.632 17850 13086 1 16 . 1 1 37 37 MET H H 37 8.081 8.081 7.826 0.255 17850 13087 1 16 . 1 1 38 38 ARG N N 38 118.309 118.309 119.882 -1.573 17850 13088 1 16 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.063 0.625 17850 13089 1 16 . 1 1 38 38 ARG C C 38 181.486 181.486 176.855 4.631 17850 13090 1 16 . 1 1 38 38 ARG CA C 38 59.101 59.101 59.061 0.040 17850 13091 1 16 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.343 0.669 17850 13092 1 16 . 1 1 38 38 ARG H H 38 8.547 8.547 7.517 1.030 17850 13093 1 16 . 1 1 39 39 SER N N 39 119.250 119.250 109.341 9.909 17850 13094 1 16 . 1 1 39 39 SER HA H 39 4.301 4.301 4.262 0.039 17850 13095 1 16 . 1 1 39 39 SER C C 39 174.899 174.899 174.730 0.169 17850 13096 1 16 . 1 1 39 39 SER CA C 39 61.925 61.925 58.163 3.762 17850 13097 1 16 . 1 1 39 39 SER CB C 39 62.773 62.773 63.899 -1.126 17850 13098 1 16 . 1 1 39 39 SER H H 39 8.226 8.226 7.490 0.736 17850 13099 1 16 . 1 1 40 40 LEU N N 40 119.516 119.516 116.993 2.523 17850 13100 1 16 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.129 0.141 17850 13101 1 16 . 1 1 40 40 LEU C C 40 176.681 176.681 176.391 0.290 17850 13102 1 16 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.234 0.349 17850 13103 1 16 . 1 1 40 40 LEU H H 40 7.343 7.343 7.707 -0.364 17850 13104 1 16 . 1 1 41 41 GLY N N 41 105.983 105.983 107.075 -1.092 17850 13105 1 16 . 1 1 41 41 GLY C C 41 174.471 174.471 175.091 -0.620 17850 13106 1 16 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.909 0.330 17850 13107 1 16 . 1 1 41 41 GLY H H 41 7.858 7.858 7.887 -0.029 17850 13108 1 16 . 1 1 42 42 LEU N N 42 120.442 120.442 118.988 1.454 17850 13109 1 16 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.518 -0.047 17850 13110 1 16 . 1 1 42 42 LEU C C 42 175.965 175.965 174.318 1.647 17850 13111 1 16 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.641 1.604 17850 13112 1 16 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.475 0.056 17850 13113 1 16 . 1 1 42 42 LEU H H 42 7.707 7.707 8.401 -0.694 17850 13114 1 16 . 1 1 43 43 SER HA H 43 4.798 4.798 4.633 0.165 17850 13115 1 16 . 1 1 43 43 SER CA C 43 54.912 54.912 57.199 -2.287 17850 13116 1 16 . 1 1 43 43 SER CB C 43 63.197 63.197 63.133 0.064 17850 13117 1 16 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.424 0.368 17850 13118 1 16 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.660 -0.779 17850 13119 1 16 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.086 -0.886 17850 13120 1 16 . 1 1 45 45 SER N N 45 119.898 119.898 121.394 -1.496 17850 13121 1 16 . 1 1 45 45 SER HA H 45 4.611 4.611 4.048 0.563 17850 13122 1 16 . 1 1 45 45 SER C C 45 174.913 174.913 176.331 -1.418 17850 13123 1 16 . 1 1 45 45 SER CA C 45 56.689 56.689 61.747 -5.058 17850 13124 1 16 . 1 1 45 45 SER CB C 45 65.502 65.502 63.232 2.270 17850 13125 1 16 . 1 1 45 45 SER H H 45 9.387 9.387 9.078 0.309 17850 13126 1 16 . 1 1 46 46 GLU N N 46 121.468 121.468 118.231 3.237 17850 13127 1 16 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.187 -0.248 17850 13128 1 16 . 1 1 46 46 GLU C C 46 179.002 179.002 178.859 0.143 17850 13129 1 16 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.324 0.811 17850 13130 1 16 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.806 0.541 17850 13131 1 16 . 1 1 46 46 GLU H H 46 8.913 8.913 8.588 0.325 17850 13132 1 16 . 1 1 47 47 ALA N N 47 121.115 121.115 121.910 -0.795 17850 13133 1 16 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.110 0.042 17850 13134 1 16 . 1 1 47 47 ALA C C 47 179.962 179.962 180.198 -0.236 17850 13135 1 16 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.557 0.561 17850 13136 1 16 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.219 -0.864 17850 13137 1 16 . 1 1 47 47 ALA H H 47 8.324 8.324 7.685 0.639 17850 13138 1 16 . 1 1 48 48 GLU N N 48 118.713 118.713 120.176 -1.463 17850 13139 1 16 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.682 0.422 17850 13140 1 16 . 1 1 48 48 GLU C C 48 179.558 179.558 178.087 1.471 17850 13141 1 16 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.368 -2.150 17850 13142 1 16 . 1 1 48 48 GLU CB C 48 29.904 29.904 29.342 0.562 17850 13143 1 16 . 1 1 48 48 GLU H H 48 7.756 7.756 8.933 -1.177 17850 13144 1 16 . 1 1 49 49 VAL N N 49 119.108 119.108 119.314 -0.206 17850 13145 1 16 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.881 -0.417 17850 13146 1 16 . 1 1 49 49 VAL C C 49 177.505 177.505 178.171 -0.666 17850 13147 1 16 . 1 1 49 49 VAL CA C 49 67.471 67.471 64.947 2.525 17850 13148 1 16 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.257 0.184 17850 13149 1 16 . 1 1 49 49 VAL H H 49 8.129 8.129 7.745 0.384 17850 13150 1 16 . 1 1 50 50 ASN N N 50 117.942 117.942 118.358 -0.416 17850 13151 1 16 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.544 -0.156 17850 13152 1 16 . 1 1 50 50 ASN C C 50 177.275 177.275 176.997 0.278 17850 13153 1 16 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.273 1.508 17850 13154 1 16 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.447 -0.050 17850 13155 1 16 . 1 1 50 50 ASN H H 50 8.071 8.071 7.699 0.372 17850 13156 1 16 . 1 1 51 51 ASP N N 51 120.669 120.669 118.373 2.296 17850 13157 1 16 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.601 -0.110 17850 13158 1 16 . 1 1 51 51 ASP C C 51 179.203 179.203 178.221 0.982 17850 13159 1 16 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.225 1.370 17850 13160 1 16 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.063 -0.750 17850 13161 1 16 . 1 1 51 51 ASP H H 51 8.364 8.364 8.239 0.125 17850 13162 1 16 . 1 1 52 52 LEU N N 52 122.409 122.409 118.060 4.349 17850 13163 1 16 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.147 -0.077 17850 13164 1 16 . 1 1 52 52 LEU C C 52 179.017 179.017 178.208 0.809 17850 13165 1 16 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.929 0.528 17850 13166 1 16 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.589 0.492 17850 13167 1 16 . 1 1 52 52 LEU H H 52 8.018 8.018 8.408 -0.390 17850 13168 1 16 . 1 1 53 53 MET N N 53 117.391 117.391 118.702 -1.311 17850 13169 1 16 . 1 1 53 53 MET HA H 53 4.112 4.112 4.466 -0.354 17850 13170 1 16 . 1 1 53 53 MET CA C 53 57.472 57.472 57.272 0.200 17850 13171 1 16 . 1 1 53 53 MET CB C 53 30.021 30.021 32.977 -2.956 17850 13172 1 16 . 1 1 53 53 MET H H 53 8.562 8.562 8.505 0.057 17850 13173 1 16 . 1 1 54 54 ASN N N 54 115.554 115.554 115.813 -0.259 17850 13174 1 16 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.630 -0.072 17850 13175 1 16 . 1 1 54 54 ASN C C 54 176.801 176.801 175.349 1.452 17850 13176 1 16 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.825 1.472 17850 13177 1 16 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.197 -1.040 17850 13178 1 16 . 1 1 54 54 ASN H H 54 8.204 8.204 7.602 0.602 17850 13179 1 16 . 1 1 55 55 GLU N N 55 117.659 117.659 115.202 2.457 17850 13180 1 16 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.406 -0.204 17850 13181 1 16 . 1 1 55 55 GLU C C 55 177.093 177.093 176.473 0.620 17850 13182 1 16 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.653 2.174 17850 13183 1 16 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.443 -0.423 17850 13184 1 16 . 1 1 55 55 GLU H H 55 7.617 7.617 7.274 0.343 17850 13185 1 16 . 1 1 56 56 ILE N N 56 117.618 117.618 123.182 -5.564 17850 13186 1 16 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.172 -0.288 17850 13187 1 16 . 1 1 56 56 ILE C C 56 176.029 176.029 176.925 -0.896 17850 13188 1 16 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.003 -0.189 17850 13189 1 16 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.325 1.603 17850 13190 1 16 . 1 1 56 56 ILE H H 56 7.472 7.472 7.851 -0.379 17850 13191 1 16 . 1 1 57 57 ASP N N 57 118.636 118.636 124.947 -6.311 17850 13192 1 16 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.503 -0.091 17850 13193 1 16 . 1 1 57 57 ASP C C 57 175.691 175.691 176.300 -0.609 17850 13194 1 16 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.699 -1.166 17850 13195 1 16 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.054 0.191 17850 13196 1 16 . 1 1 57 57 ASP H H 57 8.304 8.304 9.074 -0.770 17850 13197 1 16 . 1 1 58 58 VAL N N 58 126.376 126.376 117.079 9.297 17850 13198 1 16 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.135 -0.141 17850 13199 1 16 . 1 1 58 58 VAL C C 58 177.258 177.258 176.855 0.403 17850 13200 1 16 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.750 2.584 17850 13201 1 16 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.139 1.168 17850 13202 1 16 . 1 1 58 58 VAL H H 58 7.926 7.926 7.498 0.428 17850 13203 1 16 . 1 1 59 59 ASP N N 59 117.093 117.093 119.984 -2.891 17850 13204 1 16 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.246 0.311 17850 13205 1 16 . 1 1 59 59 ASP C C 59 177.759 177.759 176.807 0.952 17850 13206 1 16 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.997 -1.121 17850 13207 1 16 . 1 1 59 59 ASP H H 59 8.363 8.363 8.357 0.006 17850 13208 1 16 . 1 1 60 60 GLY N N 60 108.290 108.290 107.798 0.492 17850 13209 1 16 . 1 1 60 60 GLY C C 60 174.700 174.700 174.723 -0.023 17850 13210 1 16 . 1 1 60 60 GLY CA C 60 47.120 47.120 44.090 3.030 17850 13211 1 16 . 1 1 60 60 GLY H H 60 7.636 7.636 9.023 -1.387 17850 13212 1 16 . 1 1 61 61 ASN N N 61 118.884 118.884 115.875 3.009 17850 13213 1 16 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.350 0.179 17850 13214 1 16 . 1 1 61 61 ASN C C 61 175.856 175.856 172.941 2.915 17850 13215 1 16 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.863 -2.503 17850 13216 1 16 . 1 1 61 61 ASN CB C 61 37.177 37.177 37.134 0.043 17850 13217 1 16 . 1 1 61 61 ASN H H 61 8.078 8.078 8.809 -0.731 17850 13218 1 16 . 1 1 62 62 HIS N N 62 117.381 117.381 111.996 5.385 17850 13219 1 16 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.158 -1.281 17850 13220 1 16 . 1 1 62 62 HIS C C 62 172.310 172.310 173.275 -0.965 17850 13221 1 16 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.099 2.274 17850 13222 1 16 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.524 -8.790 17850 13223 1 16 . 1 1 62 62 HIS H H 62 9.958 9.958 8.234 1.724 17850 13224 1 16 . 1 1 63 63 GLN N N 63 112.906 112.906 118.725 -5.819 17850 13225 1 16 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.140 -0.308 17850 13226 1 16 . 1 1 63 63 GLN C C 63 174.861 174.861 176.071 -1.210 17850 13227 1 16 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.083 -0.208 17850 13228 1 16 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.496 1.654 17850 13229 1 16 . 1 1 63 63 GLN H H 63 7.535 7.535 8.146 -0.611 17850 13230 1 16 . 1 1 64 64 ILE N N 64 124.083 124.083 126.630 -2.547 17850 13231 1 16 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.816 0.256 17850 13232 1 16 . 1 1 64 64 ILE C C 64 176.670 176.670 176.000 0.670 17850 13233 1 16 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.450 0.221 17850 13234 1 16 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.002 -1.835 17850 13235 1 16 . 1 1 64 64 ILE H H 64 9.274 9.274 8.433 0.841 17850 13236 1 16 . 1 1 65 65 GLU N N 65 129.276 129.276 120.775 8.501 17850 13237 1 16 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.604 2.436 17850 13238 1 16 . 1 1 65 65 GLU C C 65 178.156 178.156 176.820 1.336 17850 13239 1 16 . 1 1 65 65 GLU CA C 65 57.848 57.848 56.736 1.112 17850 13240 1 16 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.421 1.759 17850 13241 1 16 . 1 1 65 65 GLU H H 65 8.848 8.848 9.070 -0.222 17850 13242 1 16 . 1 1 66 66 PHE N N 66 124.260 124.260 118.995 5.265 17850 13243 1 16 . 1 1 66 66 PHE HA H 66 3.690 3.690 4.106 -0.416 17850 13244 1 16 . 1 1 66 66 PHE C C 66 177.294 177.294 177.303 -0.009 17850 13245 1 16 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.285 1.735 17850 13246 1 16 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.715 -0.761 17850 13247 1 16 . 1 1 66 66 PHE H H 66 9.353 9.353 7.737 1.616 17850 13248 1 16 . 1 1 67 67 SER N N 67 112.827 112.827 117.688 -4.861 17850 13249 1 16 . 1 1 67 67 SER HA H 67 3.726 3.726 4.185 -0.459 17850 13250 1 16 . 1 1 67 67 SER C C 67 177.352 177.352 176.305 1.047 17850 13251 1 16 . 1 1 67 67 SER CA C 67 61.581 61.581 60.792 0.789 17850 13252 1 16 . 1 1 67 67 SER CB C 67 61.379 61.379 62.917 -1.538 17850 13253 1 16 . 1 1 67 67 SER H H 67 9.035 9.035 8.070 0.965 17850 13254 1 16 . 1 1 68 68 GLU N N 68 123.071 123.071 120.671 2.400 17850 13255 1 16 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.945 0.190 17850 13256 1 16 . 1 1 68 68 GLU C C 68 178.895 178.895 178.028 0.867 17850 13257 1 16 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.167 -2.189 17850 13258 1 16 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.171 -0.894 17850 13259 1 16 . 1 1 68 68 GLU H H 68 6.829 6.829 8.657 -1.828 17850 13260 1 16 . 1 1 69 69 PHE N N 69 123.805 123.805 116.930 6.875 17850 13261 1 16 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.191 -0.292 17850 13262 1 16 . 1 1 69 69 PHE C C 69 176.325 176.325 176.211 0.114 17850 13263 1 16 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.787 0.639 17850 13264 1 16 . 1 1 69 69 PHE CB C 69 40.428 40.428 38.216 2.212 17850 13265 1 16 . 1 1 69 69 PHE H H 69 8.245 8.245 7.687 0.558 17850 13266 1 16 . 1 1 70 70 LEU N N 70 119.210 119.210 118.560 0.650 17850 13267 1 16 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.964 -0.728 17850 13268 1 16 . 1 1 70 70 LEU C C 70 179.131 179.131 177.884 1.247 17850 13269 1 16 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.479 0.998 17850 13270 1 16 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.233 0.095 17850 13271 1 16 . 1 1 70 70 LEU H H 70 8.788 8.788 7.333 1.455 17850 13272 1 16 . 1 1 71 71 ALA N N 71 121.612 121.612 121.421 0.191 17850 13273 1 16 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.041 -0.132 17850 13274 1 16 . 1 1 71 71 ALA C C 71 179.804 179.804 179.432 0.372 17850 13275 1 16 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.613 0.503 17850 13276 1 16 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.887 -1.125 17850 13277 1 16 . 1 1 71 71 ALA H H 71 7.365 7.365 7.620 -0.255 17850 13278 1 16 . 1 1 72 72 LEU N N 72 118.944 118.944 119.090 -0.146 17850 13279 1 16 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.944 0.020 17850 13280 1 16 . 1 1 72 72 LEU C C 72 178.415 178.415 178.396 0.019 17850 13281 1 16 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.836 0.981 17850 13282 1 16 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.659 -0.191 17850 13283 1 16 . 1 1 72 72 LEU H H 72 7.142 7.142 7.593 -0.451 17850 13284 1 16 . 1 1 73 73 MET N N 73 114.500 114.500 116.283 -1.783 17850 13285 1 16 . 1 1 73 73 MET HA H 73 3.978 3.978 4.306 -0.328 17850 13286 1 16 . 1 1 73 73 MET C C 73 178.283 178.283 176.548 1.735 17850 13287 1 16 . 1 1 73 73 MET CA C 73 55.701 55.701 56.161 -0.460 17850 13288 1 16 . 1 1 73 73 MET CB C 73 30.742 30.742 32.359 -1.617 17850 13289 1 16 . 1 1 73 73 MET H H 73 7.726 7.726 7.408 0.318 17850 13290 1 16 . 1 1 74 74 SER N N 74 112.626 112.626 115.424 -2.798 17850 13291 1 16 . 1 1 74 74 SER HA H 74 4.287 4.287 4.611 -0.324 17850 13292 1 16 . 1 1 74 74 SER C C 74 174.717 174.717 173.506 1.211 17850 13293 1 16 . 1 1 74 74 SER CA C 74 59.582 59.582 58.102 1.480 17850 13294 1 16 . 1 1 74 74 SER CB C 74 63.746 63.746 64.096 -0.350 17850 13295 1 16 . 1 1 74 74 SER H H 74 7.857 7.857 7.769 0.088 17850 13296 1 16 . 1 1 75 75 ARG N N 75 122.130 122.130 118.075 4.055 17850 13297 1 16 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.450 -0.303 17850 13298 1 16 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.829 1.946 17850 13299 1 16 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.746 -2.080 17850 13300 1 16 . 1 1 75 75 ARG H H 75 7.208 7.208 8.025 -0.817 17850 13301 1 16 . 1 1 76 76 GLN N N 76 121.749 121.749 118.548 3.201 17850 13302 1 16 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.592 -0.308 17850 13303 1 16 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.555 0.638 17850 13304 1 16 . 1 1 76 76 GLN CB C 76 29.057 29.057 29.968 -0.911 17850 13305 1 16 . 1 1 76 76 GLN H H 76 8.327 8.327 7.790 0.537 17850 13306 1 16 . 1 1 77 77 LEU N N 77 124.093 124.093 122.881 1.212 17850 13307 1 16 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.540 -0.101 17850 13308 1 16 . 1 1 77 77 LEU C C 77 177.670 177.670 176.577 1.093 17850 13309 1 16 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.208 0.076 17850 13310 1 16 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.254 -0.474 17850 13311 1 16 . 1 1 77 77 LEU H H 77 8.264 8.264 8.384 -0.120 17850 13312 1 16 . 1 1 78 78 LYS N N 78 121.053 121.053 120.323 0.730 17850 13313 1 16 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.202 0.205 17850 13314 1 16 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.420 -1.235 17850 13315 1 16 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.824 0.453 17850 13316 1 16 . 1 1 78 78 LYS H H 78 8.433 8.433 8.277 0.156 17850 13317 1 16 . 1 1 79 79 SER N N 79 116.423 116.423 117.795 -1.372 17850 13318 1 16 . 1 1 79 79 SER HA H 79 4.321 4.321 4.554 -0.233 17850 13319 1 16 . 1 1 79 79 SER C C 79 175.145 175.145 174.003 1.142 17850 13320 1 16 . 1 1 79 79 SER CA C 79 59.795 59.795 57.498 2.297 17850 13321 1 16 . 1 1 79 79 SER CB C 79 63.226 63.226 62.399 0.827 17850 13322 1 16 . 1 1 79 79 SER H H 79 8.448 8.448 8.441 0.007 17850 13323 1 16 . 1 1 80 80 ASN N N 80 119.581 119.581 119.966 -0.385 17850 13324 1 16 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.371 0.328 17850 13325 1 16 . 1 1 80 80 ASN C C 80 175.726 175.726 177.192 -1.466 17850 13326 1 16 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.995 -1.582 17850 13327 1 16 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.428 1.160 17850 13328 1 16 . 1 1 80 80 ASN H H 80 8.513 8.513 8.073 0.440 17850 13329 1 16 . 1 1 81 81 ASP N N 81 120.378 120.378 121.491 -1.113 17850 13330 1 16 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.363 0.267 17850 13331 1 16 . 1 1 81 81 ASP C C 81 177.281 177.281 178.342 -1.061 17850 13332 1 16 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.619 -2.026 17850 13333 1 16 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.142 1.464 17850 13334 1 16 . 1 1 81 81 ASP H H 81 7.957 7.957 8.568 -0.611 17850 13335 1 16 . 1 1 82 82 SER N N 82 117.046 117.046 116.512 0.534 17850 13336 1 16 . 1 1 82 82 SER HA H 82 4.194 4.194 3.908 0.286 17850 13337 1 16 . 1 1 82 82 SER C C 82 176.745 176.745 176.557 0.188 17850 13338 1 16 . 1 1 82 82 SER CA C 82 61.376 61.376 61.611 -0.235 17850 13339 1 16 . 1 1 82 82 SER CB C 82 62.896 62.896 62.764 0.132 17850 13340 1 16 . 1 1 82 82 SER H H 82 8.469 8.469 8.620 -0.151 17850 13341 1 16 . 1 1 83 83 GLU N N 83 122.405 122.405 119.259 3.146 17850 13342 1 16 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.014 0.086 17850 13343 1 16 . 1 1 83 83 GLU C C 83 178.740 178.740 178.819 -0.079 17850 13344 1 16 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.791 -0.326 17850 13345 1 16 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.628 -0.224 17850 13346 1 16 . 1 1 83 83 GLU H H 83 8.357 8.357 8.395 -0.038 17850 13347 1 16 . 1 1 84 84 GLN N N 84 118.604 118.604 118.994 -0.390 17850 13348 1 16 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.127 -0.018 17850 13349 1 16 . 1 1 84 84 GLN C C 84 178.533 178.533 178.737 -0.204 17850 13350 1 16 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.326 0.141 17850 13351 1 16 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.142 0.279 17850 13352 1 16 . 1 1 84 84 GLN H H 84 7.988 7.988 7.756 0.232 17850 13353 1 16 . 1 1 85 85 GLU N N 85 119.418 119.418 120.767 -1.349 17850 13354 1 16 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.355 -0.413 17850 13355 1 16 . 1 1 85 85 GLU C C 85 178.250 178.250 178.890 -0.640 17850 13356 1 16 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.405 0.719 17850 13357 1 16 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.281 0.291 17850 13358 1 16 . 1 1 85 85 GLU H H 85 8.228 8.228 8.567 -0.339 17850 13359 1 16 . 1 1 86 86 LEU N N 86 120.010 120.010 117.838 2.172 17850 13360 1 16 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.093 0.066 17850 13361 1 16 . 1 1 86 86 LEU C C 86 178.534 178.534 179.354 -0.820 17850 13362 1 16 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.672 -0.465 17850 13363 1 16 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.175 0.451 17850 13364 1 16 . 1 1 86 86 LEU H H 86 7.797 7.797 8.616 -0.819 17850 13365 1 16 . 1 1 87 87 LEU N N 87 119.111 119.111 120.656 -1.545 17850 13366 1 16 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.093 0.011 17850 13367 1 16 . 1 1 87 87 LEU C C 87 179.333 179.333 179.411 -0.078 17850 13368 1 16 . 1 1 87 87 LEU CA C 87 58.243 58.243 57.983 0.260 17850 13369 1 16 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.670 0.096 17850 13370 1 16 . 1 1 87 87 LEU H H 87 7.825 7.825 8.599 -0.774 17850 13371 1 16 . 1 1 88 88 GLU N N 88 117.514 117.514 118.833 -1.319 17850 13372 1 16 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.415 -0.314 17850 13373 1 16 . 1 1 88 88 GLU C C 88 179.461 179.461 178.885 0.576 17850 13374 1 16 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.133 -0.117 17850 13375 1 16 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.270 -0.600 17850 13376 1 16 . 1 1 88 88 GLU H H 88 8.265 8.265 8.575 -0.310 17850 13377 1 16 . 1 1 89 89 ALA N N 89 120.734 120.734 122.994 -2.260 17850 13378 1 16 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.555 0.612 17850 13379 1 16 . 1 1 89 89 ALA C C 89 178.362 178.362 177.903 0.459 17850 13380 1 16 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.156 0.921 17850 13381 1 16 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.687 -1.704 17850 13382 1 16 . 1 1 89 89 ALA H H 89 8.192 8.192 8.503 -0.311 17850 13383 1 16 . 1 1 90 90 PHE N N 90 119.339 119.339 118.212 1.127 17850 13384 1 16 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.172 -0.973 17850 13385 1 16 . 1 1 90 90 PHE C C 90 177.497 177.497 176.634 0.863 17850 13386 1 16 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.276 1.909 17850 13387 1 16 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.620 1.200 17850 13388 1 16 . 1 1 90 90 PHE H H 90 8.685 8.685 8.204 0.481 17850 13389 1 16 . 1 1 91 91 LYS N N 91 116.189 116.189 119.056 -2.867 17850 13390 1 16 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.101 -0.153 17850 13391 1 16 . 1 1 91 91 LYS C C 91 178.236 178.236 177.174 1.062 17850 13392 1 16 . 1 1 91 91 LYS CA C 91 59.514 59.514 58.090 1.424 17850 13393 1 16 . 1 1 91 91 LYS CB C 91 32.871 32.871 33.127 -0.256 17850 13394 1 16 . 1 1 91 91 LYS H H 91 8.112 8.112 7.926 0.186 17850 13395 1 16 . 1 1 92 92 VAL N N 92 117.696 117.696 117.361 0.335 17850 13396 1 16 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.878 -0.306 17850 13397 1 16 . 1 1 92 92 VAL C C 92 176.545 176.545 176.370 0.175 17850 13398 1 16 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.193 0.379 17850 13399 1 16 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.416 -0.990 17850 13400 1 16 . 1 1 92 92 VAL H H 92 7.383 7.383 7.403 -0.020 17850 13401 1 16 . 1 1 93 93 PHE N N 93 114.826 114.826 117.514 -2.688 17850 13402 1 16 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.641 -0.414 17850 13403 1 16 . 1 1 93 93 PHE C C 93 176.417 176.417 175.833 0.584 17850 13404 1 16 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.768 0.832 17850 13405 1 16 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.801 2.395 17850 13406 1 16 . 1 1 93 93 PHE H H 93 7.116 7.116 7.413 -0.297 17850 13407 1 16 . 1 1 94 94 ASP N N 94 116.753 116.753 123.801 -7.048 17850 13408 1 16 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.467 0.064 17850 13409 1 16 . 1 1 94 94 ASP C C 94 177.305 177.305 177.325 -0.020 17850 13410 1 16 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.205 -2.734 17850 13411 1 16 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.688 -1.847 17850 13412 1 16 . 1 1 94 94 ASP H H 94 7.849 7.849 8.256 -0.407 17850 13413 1 16 . 1 1 95 95 LYS N N 95 125.185 125.185 119.228 5.957 17850 13414 1 16 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.118 -0.115 17850 13415 1 16 . 1 1 95 95 LYS C C 95 178.261 178.261 176.686 1.575 17850 13416 1 16 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.770 1.307 17850 13417 1 16 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.176 -0.986 17850 13418 1 16 . 1 1 95 95 LYS H H 95 7.755 7.755 7.767 -0.012 17850 13419 1 16 . 1 1 96 96 ASN N N 96 112.542 112.542 119.408 -6.866 17850 13420 1 16 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.340 0.445 17850 13421 1 16 . 1 1 96 96 ASN C C 96 176.469 176.469 174.736 1.733 17850 13422 1 16 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.063 -1.201 17850 13423 1 16 . 1 1 96 96 ASN H H 96 8.069 8.069 8.316 -0.247 17850 13424 1 16 . 1 1 97 97 GLY N N 97 109.956 109.956 110.844 -0.888 17850 13425 1 16 . 1 1 97 97 GLY C C 97 175.032 175.032 175.825 -0.793 17850 13426 1 16 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.284 3.424 17850 13427 1 16 . 1 1 97 97 GLY H H 97 7.686 7.686 9.039 -1.353 17850 13428 1 16 . 1 1 98 98 ASP N N 98 119.383 119.383 120.385 -1.002 17850 13429 1 16 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.344 0.209 17850 13430 1 16 . 1 1 98 98 ASP C C 98 177.274 177.274 174.596 2.678 17850 13431 1 16 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.868 -1.534 17850 13432 1 16 . 1 1 98 98 ASP H H 98 8.249 8.249 8.102 0.147 17850 13433 1 16 . 1 1 99 99 GLY N N 99 112.398 112.398 105.464 6.934 17850 13434 1 16 . 1 1 99 99 GLY C C 99 173.128 173.128 174.056 -0.928 17850 13435 1 16 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.824 1.905 17850 13436 1 16 . 1 1 99 99 GLY H H 99 10.390 10.390 8.178 2.212 17850 13437 1 16 . 1 1 100 100 LEU N N 100 120.803 120.803 125.478 -4.675 17850 13438 1 16 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.677 0.588 17850 13439 1 16 . 1 1 100 100 LEU C C 100 176.427 176.427 177.531 -1.104 17850 13440 1 16 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.125 -2.349 17850 13441 1 16 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.211 4.990 17850 13442 1 16 . 1 1 100 100 LEU H H 100 7.987 7.987 9.074 -1.087 17850 13443 1 16 . 1 1 101 101 ILE N N 101 125.286 125.286 128.124 -2.838 17850 13444 1 16 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.169 0.553 17850 13445 1 16 . 1 1 101 101 ILE C C 101 175.432 175.432 176.986 -1.554 17850 13446 1 16 . 1 1 101 101 ILE CA C 101 60.249 60.249 61.757 -1.508 17850 13447 1 16 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.117 -0.053 17850 13448 1 16 . 1 1 101 101 ILE H H 101 9.698 9.698 8.621 1.077 17850 13449 1 16 . 1 1 102 102 SER N N 102 123.133 123.133 117.570 5.563 17850 13450 1 16 . 1 1 102 102 SER HA H 102 4.969 4.969 4.113 0.856 17850 13451 1 16 . 1 1 102 102 SER C C 102 175.298 175.298 176.006 -0.708 17850 13452 1 16 . 1 1 102 102 SER CA C 102 55.994 55.994 61.728 -5.734 17850 13453 1 16 . 1 1 102 102 SER CB C 102 66.456 66.456 62.484 3.972 17850 13454 1 16 . 1 1 102 102 SER H H 102 9.095 9.095 8.876 0.219 17850 13455 1 16 . 1 1 103 103 ALA N N 103 122.886 122.886 121.873 1.013 17850 13456 1 16 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.847 0.042 17850 13457 1 16 . 1 1 103 103 ALA C C 103 179.237 179.237 179.779 -0.542 17850 13458 1 16 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.437 0.645 17850 13459 1 16 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.876 0.181 17850 13460 1 16 . 1 1 103 103 ALA H H 103 8.691 8.691 8.567 0.124 17850 13461 1 16 . 1 1 104 104 ALA N N 104 118.317 118.317 120.160 -1.843 17850 13462 1 16 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.599 0.475 17850 13463 1 16 . 1 1 104 104 ALA C C 104 181.451 181.451 178.969 2.482 17850 13464 1 16 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.601 0.684 17850 13465 1 16 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.385 0.050 17850 13466 1 16 . 1 1 104 104 ALA H H 104 8.392 8.392 8.218 0.174 17850 13467 1 16 . 1 1 105 105 GLU N N 105 120.398 120.398 118.059 2.339 17850 13468 1 16 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.706 -0.646 17850 13469 1 16 . 1 1 105 105 GLU C C 105 179.223 179.223 177.554 1.669 17850 13470 1 16 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.753 -0.290 17850 13471 1 16 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.021 -0.870 17850 13472 1 16 . 1 1 105 105 GLU H H 105 7.879 7.879 8.266 -0.387 17850 13473 1 16 . 1 1 106 106 LEU N N 106 120.023 120.023 119.900 0.123 17850 13474 1 16 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.900 0.263 17850 13475 1 16 . 1 1 106 106 LEU C C 106 178.503 178.503 178.895 -0.392 17850 13476 1 16 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.464 0.225 17850 13477 1 16 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.894 1.393 17850 13478 1 16 . 1 1 106 106 LEU H H 106 8.479 8.479 8.716 -0.237 17850 13479 1 16 . 1 1 107 107 LYS N N 107 117.064 117.064 120.154 -3.090 17850 13480 1 16 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.953 -0.135 17850 13481 1 16 . 1 1 107 107 LYS C C 107 179.039 179.039 178.832 0.207 17850 13482 1 16 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.230 1.078 17850 13483 1 16 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.157 0.733 17850 13484 1 16 . 1 1 107 107 LYS H H 107 8.758 8.758 8.585 0.173 17850 13485 1 16 . 1 1 108 108 HIS N N 108 119.125 119.125 118.972 0.153 17850 13486 1 16 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.703 0.613 17850 13487 1 16 . 1 1 108 108 HIS C C 108 178.394 178.394 176.410 1.984 17850 13488 1 16 . 1 1 108 108 HIS CA C 108 60.187 60.187 58.863 1.324 17850 13489 1 16 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.027 1.465 17850 13490 1 16 . 1 1 108 108 HIS H H 108 8.287 8.287 7.993 0.294 17850 13491 1 16 . 1 1 109 109 VAL N N 109 119.525 119.525 118.136 1.389 17850 13492 1 16 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.769 -0.284 17850 13493 1 16 . 1 1 109 109 VAL C C 109 178.246 178.246 178.567 -0.321 17850 13494 1 16 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.360 1.350 17850 13495 1 16 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.540 1.032 17850 13496 1 16 . 1 1 109 109 VAL H H 109 7.915 7.915 8.377 -0.462 17850 13497 1 16 . 1 1 110 110 LEU N N 110 117.403 117.403 120.967 -3.564 17850 13498 1 16 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.147 -0.168 17850 13499 1 16 . 1 1 110 110 LEU C C 110 178.968 178.968 178.527 0.441 17850 13500 1 16 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.825 -0.607 17850 13501 1 16 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.747 -1.219 17850 13502 1 16 . 1 1 110 110 LEU H H 110 8.269 8.269 8.389 -0.120 17850 13503 1 16 . 1 1 111 111 THR N N 111 114.122 114.122 114.481 -0.359 17850 13504 1 16 . 1 1 111 111 THR HA H 111 4.184 4.184 3.982 0.202 17850 13505 1 16 . 1 1 111 111 THR C C 111 178.534 178.534 175.569 2.965 17850 13506 1 16 . 1 1 111 111 THR CA C 111 66.252 66.252 64.474 1.778 17850 13507 1 16 . 1 1 111 111 THR CB C 111 68.851 68.851 68.439 0.412 17850 13508 1 16 . 1 1 111 111 THR H H 111 8.441 8.441 7.696 0.745 17850 13509 1 16 . 1 1 112 112 SER N N 112 119.981 119.981 105.923 14.058 17850 13510 1 16 . 1 1 112 112 SER HA H 112 4.215 4.215 4.749 -0.534 17850 13511 1 16 . 1 1 112 112 SER C C 112 175.523 175.523 174.737 0.786 17850 13512 1 16 . 1 1 112 112 SER CA C 112 62.197 62.197 58.402 3.795 17850 13513 1 16 . 1 1 112 112 SER CB C 112 62.936 62.936 65.340 -2.404 17850 13514 1 16 . 1 1 112 112 SER H H 112 7.910 7.910 7.136 0.774 17850 13515 1 16 . 1 1 113 113 ILE N N 113 112.726 112.726 119.338 -6.612 17850 13516 1 16 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.881 0.603 17850 13517 1 16 . 1 1 113 113 ILE C C 113 175.636 175.636 175.071 0.565 17850 13518 1 16 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.270 -0.515 17850 13519 1 16 . 1 1 113 113 ILE H H 113 7.473 7.473 7.600 -0.127 17850 13520 1 16 . 1 1 114 114 GLY N N 114 108.354 108.354 110.906 -2.552 17850 13521 1 16 . 1 1 114 114 GLY C C 114 174.583 174.583 174.295 0.288 17850 13522 1 16 . 1 1 114 114 GLY CA C 114 45.850 45.850 46.103 -0.253 17850 13523 1 16 . 1 1 114 114 GLY H H 114 7.652 7.652 7.978 -0.326 17850 13524 1 16 . 1 1 115 115 GLU N N 115 120.283 120.283 124.684 -4.401 17850 13525 1 16 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.594 -0.289 17850 13526 1 16 . 1 1 115 115 GLU C C 115 175.444 175.444 175.635 -0.191 17850 13527 1 16 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.310 -0.179 17850 13528 1 16 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.239 0.011 17850 13529 1 16 . 1 1 115 115 GLU H H 115 8.045 8.045 8.205 -0.160 17850 13530 1 16 . 1 1 116 116 LYS N N 116 124.370 124.370 124.563 -0.193 17850 13531 1 16 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.574 -0.152 17850 13532 1 16 . 1 1 116 116 LYS C C 116 175.287 175.287 176.348 -1.061 17850 13533 1 16 . 1 1 116 116 LYS CA C 116 55.635 55.635 54.996 0.639 17850 13534 1 16 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.427 -3.285 17850 13535 1 16 . 1 1 116 116 LYS H H 116 8.571 8.571 8.416 0.155 17850 13536 1 16 . 1 1 117 117 LEU N N 117 125.492 125.492 119.191 6.301 17850 13537 1 16 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.373 0.411 17850 13538 1 16 . 1 1 117 117 LEU C C 117 177.161 177.161 177.387 -0.226 17850 13539 1 16 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.362 0.871 17850 13540 1 16 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.780 1.218 17850 13541 1 16 . 1 1 117 117 LEU H H 117 8.042 8.042 8.118 -0.076 17850 13542 1 16 . 1 1 118 118 THR N N 118 113.255 113.255 116.207 -2.952 17850 13543 1 16 . 1 1 118 118 THR HA H 118 4.497 4.497 4.038 0.459 17850 13544 1 16 . 1 1 118 118 THR C C 118 175.335 175.335 176.351 -1.016 17850 13545 1 16 . 1 1 118 118 THR CA C 118 60.434 60.434 65.648 -5.214 17850 13546 1 16 . 1 1 118 118 THR CB C 118 71.193 71.193 68.731 2.462 17850 13547 1 16 . 1 1 118 118 THR H H 118 8.995 8.995 8.677 0.318 17850 13548 1 16 . 1 1 119 119 ASP N N 119 120.837 120.837 118.038 2.799 17850 13549 1 16 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.634 -0.402 17850 13550 1 16 . 1 1 119 119 ASP C C 119 178.422 178.422 178.035 0.387 17850 13551 1 16 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.209 1.887 17850 13552 1 16 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.184 -0.209 17850 13553 1 16 . 1 1 119 119 ASP H H 119 8.743 8.743 8.330 0.413 17850 13554 1 16 . 1 1 120 120 ALA N N 120 121.309 121.309 121.715 -0.406 17850 13555 1 16 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.119 0.047 17850 13556 1 16 . 1 1 120 120 ALA C C 120 179.796 179.796 179.892 -0.096 17850 13557 1 16 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.180 0.848 17850 13558 1 16 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.089 -0.769 17850 13559 1 16 . 1 1 120 120 ALA H H 120 8.304 8.304 7.448 0.856 17850 13560 1 16 . 1 1 121 121 GLU N N 121 118.068 118.068 121.045 -2.977 17850 13561 1 16 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.885 0.172 17850 13562 1 16 . 1 1 121 121 GLU C C 121 180.035 180.035 176.970 3.065 17850 13563 1 16 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.681 -1.442 17850 13564 1 16 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.807 0.622 17850 13565 1 16 . 1 1 121 121 GLU H H 121 7.705 7.705 8.827 -1.122 17850 13566 1 16 . 1 1 122 122 VAL N N 122 120.636 120.636 117.440 3.196 17850 13567 1 16 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.795 -0.258 17850 13568 1 16 . 1 1 122 122 VAL C C 122 177.120 177.120 177.176 -0.056 17850 13569 1 16 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.664 1.378 17850 13570 1 16 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.729 -0.337 17850 13571 1 16 . 1 1 122 122 VAL H H 122 7.935 7.935 7.854 0.081 17850 13572 1 16 . 1 1 123 123 ASP N N 123 120.336 120.336 118.413 1.923 17850 13573 1 16 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.538 -0.235 17850 13574 1 16 . 1 1 123 123 ASP C C 123 179.023 179.023 177.906 1.117 17850 13575 1 16 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.014 1.929 17850 13576 1 16 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.264 -0.593 17850 13577 1 16 . 1 1 123 123 ASP H H 123 8.204 8.204 7.476 0.728 17850 13578 1 16 . 1 1 124 124 ASP N N 124 118.890 118.890 121.156 -2.266 17850 13579 1 16 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.468 -0.128 17850 13580 1 16 . 1 1 124 124 ASP C C 124 178.527 178.527 178.662 -0.135 17850 13581 1 16 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.192 0.331 17850 13582 1 16 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.813 0.007 17850 13583 1 16 . 1 1 124 124 ASP H H 124 8.272 8.272 7.890 0.382 17850 13584 1 16 . 1 1 125 125 MET N N 125 119.365 119.365 117.778 1.587 17850 13585 1 16 . 1 1 125 125 MET HA H 125 4.091 4.091 4.107 -0.016 17850 13586 1 16 . 1 1 125 125 MET C C 125 178.021 178.021 178.049 -0.028 17850 13587 1 16 . 1 1 125 125 MET CA C 125 59.205 59.205 58.519 0.686 17850 13588 1 16 . 1 1 125 125 MET CB C 125 33.281 33.281 31.824 1.457 17850 13589 1 16 . 1 1 125 125 MET H H 125 7.750 7.750 8.684 -0.934 17850 13590 1 16 . 1 1 126 126 LEU N N 126 117.193 117.193 118.362 -1.169 17850 13591 1 16 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.981 -0.057 17850 13592 1 16 . 1 1 126 126 LEU C C 126 180.267 180.267 179.442 0.825 17850 13593 1 16 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.641 0.161 17850 13594 1 16 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.367 0.247 17850 13595 1 16 . 1 1 126 126 LEU H H 126 8.152 8.152 7.882 0.270 17850 13596 1 16 . 1 1 127 127 ARG N N 127 120.792 120.792 117.993 2.799 17850 13597 1 16 . 1 1 127 127 ARG HA H 127 4.041 4.041 3.979 0.062 17850 13598 1 16 . 1 1 127 127 ARG C C 127 178.027 178.027 177.919 0.108 17850 13599 1 16 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.857 0.424 17850 13600 1 16 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.596 -0.597 17850 13601 1 16 . 1 1 127 127 ARG H H 127 8.335 8.335 7.535 0.800 17850 13602 1 16 . 1 1 128 128 GLU N N 128 117.142 117.142 109.837 7.305 17850 13603 1 16 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.615 -0.509 17850 13604 1 16 . 1 1 128 128 GLU C C 128 178.618 178.618 175.937 2.681 17850 13605 1 16 . 1 1 128 128 GLU CA C 128 59.205 59.205 56.355 2.850 17850 13606 1 16 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.836 -0.442 17850 13607 1 16 . 1 1 128 128 GLU H H 128 7.667 7.667 8.160 -0.493 17850 13608 1 16 . 1 1 129 129 VAL N N 129 108.345 108.345 118.993 -10.648 17850 13609 1 16 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.131 0.356 17850 13610 1 16 . 1 1 129 129 VAL C C 129 175.591 175.591 176.723 -1.132 17850 13611 1 16 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.469 -0.807 17850 13612 1 16 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.201 -0.192 17850 13613 1 16 . 1 1 129 129 VAL H H 129 7.470 7.470 7.948 -0.478 17850 13614 1 16 . 1 1 130 130 SER N N 130 115.012 115.012 118.035 -3.023 17850 13615 1 16 . 1 1 130 130 SER HA H 130 4.670 4.670 4.128 0.542 17850 13616 1 16 . 1 1 130 130 SER C C 130 174.414 174.414 174.661 -0.247 17850 13617 1 16 . 1 1 130 130 SER CA C 130 58.067 58.067 59.590 -1.523 17850 13618 1 16 . 1 1 130 130 SER CB C 130 65.814 65.814 62.063 3.751 17850 13619 1 16 . 1 1 130 130 SER H H 130 7.858 7.858 7.778 0.080 17850 13620 1 16 . 1 1 131 131 ASP N N 131 120.972 120.972 115.679 5.293 17850 13621 1 16 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.276 0.290 17850 13622 1 16 . 1 1 131 131 ASP C C 131 176.676 176.676 175.855 0.821 17850 13623 1 16 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.427 0.356 17850 13624 1 16 . 1 1 131 131 ASP H H 131 8.478 8.478 8.119 0.359 17850 13625 1 16 . 1 1 132 132 GLY N N 132 105.512 105.512 109.238 -3.726 17850 13626 1 16 . 1 1 132 132 GLY C C 132 174.924 174.924 176.427 -1.503 17850 13627 1 16 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.407 -0.737 17850 13628 1 16 . 1 1 132 132 GLY H H 132 8.352 8.352 7.805 0.547 17850 13629 1 16 . 1 1 133 133 SER N N 133 116.718 116.718 113.135 3.583 17850 13630 1 16 . 1 1 133 133 SER HA H 133 4.435 4.435 4.358 0.077 17850 13631 1 16 . 1 1 133 133 SER C C 133 175.404 175.404 172.427 2.977 17850 13632 1 16 . 1 1 133 133 SER CA C 133 59.340 59.340 58.312 1.028 17850 13633 1 16 . 1 1 133 133 SER H H 133 8.104 8.104 8.125 -0.021 17850 13634 1 16 . 1 1 134 134 GLY N N 134 109.601 109.601 106.712 2.889 17850 13635 1 16 . 1 1 134 134 GLY C C 134 172.547 172.547 172.574 -0.027 17850 13636 1 16 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.473 2.350 17850 13637 1 16 . 1 1 134 134 GLY H H 134 8.555 8.555 7.722 0.833 17850 13638 1 16 . 1 1 135 135 GLU N N 135 117.166 117.166 116.481 0.685 17850 13639 1 16 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.886 0.141 17850 13640 1 16 . 1 1 135 135 GLU C C 135 175.280 175.280 174.684 0.596 17850 13641 1 16 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.737 -0.002 17850 13642 1 16 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.192 0.682 17850 13643 1 16 . 1 1 135 135 GLU H H 135 7.641 7.641 8.149 -0.508 17850 13644 1 16 . 1 1 136 136 ILE N N 136 114.256 114.256 125.912 -11.656 17850 13645 1 16 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.920 0.156 17850 13646 1 16 . 1 1 136 136 ILE C C 136 175.228 175.228 177.233 -2.005 17850 13647 1 16 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.640 -0.242 17850 13648 1 16 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.383 2.269 17850 13649 1 16 . 1 1 136 136 ILE H H 136 8.565 8.565 8.424 0.141 17850 13650 1 16 . 1 1 137 137 ASN N N 137 121.842 121.842 118.629 3.213 17850 13651 1 16 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.887 1.378 17850 13652 1 16 . 1 1 137 137 ASN C C 137 176.835 176.835 176.121 0.714 17850 13653 1 16 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.738 -3.711 17850 13654 1 16 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.762 1.951 17850 13655 1 16 . 1 1 137 137 ASN H H 137 8.767 8.767 8.693 0.074 17850 13656 1 16 . 1 1 138 138 ILE N N 138 118.075 118.075 117.888 0.187 17850 13657 1 16 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.945 -0.193 17850 13658 1 16 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.110 0.662 17850 13659 1 16 . 1 1 138 138 ILE CB C 138 37.553 37.553 37.096 0.457 17850 13660 1 16 . 1 1 138 138 ILE H H 138 8.418 8.418 8.403 0.015 17850 13661 1 16 . 1 1 139 139 GLN N N 139 122.926 122.926 119.759 3.167 17850 13662 1 16 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.073 0.053 17850 13663 1 16 . 1 1 139 139 GLN C C 139 179.886 179.886 178.844 1.042 17850 13664 1 16 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.707 0.879 17850 13665 1 16 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.523 -0.738 17850 13666 1 16 . 1 1 139 139 GLN H H 139 7.632 7.632 7.929 -0.297 17850 13667 1 16 . 1 1 140 140 GLN N N 140 121.813 121.813 120.937 0.876 17850 13668 1 16 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.829 0.332 17850 13669 1 16 . 1 1 140 140 GLN C C 140 178.284 178.284 177.404 0.880 17850 13670 1 16 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.895 -0.679 17850 13671 1 16 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.447 -0.009 17850 13672 1 16 . 1 1 140 140 GLN H H 140 8.416 8.416 8.962 -0.546 17850 13673 1 16 . 1 1 141 141 PHE N N 141 121.732 121.732 117.985 3.747 17850 13674 1 16 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.815 0.337 17850 13675 1 16 . 1 1 141 141 PHE C C 141 176.273 176.273 176.622 -0.349 17850 13676 1 16 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.230 0.730 17850 13677 1 16 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.770 2.291 17850 13678 1 16 . 1 1 141 141 PHE H H 141 9.030 9.030 8.157 0.873 17850 13679 1 16 . 1 1 142 142 ALA N N 142 119.852 119.852 120.295 -0.443 17850 13680 1 16 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.972 -0.169 17850 13681 1 16 . 1 1 142 142 ALA C C 142 180.733 180.733 179.081 1.652 17850 13682 1 16 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.585 0.625 17850 13683 1 16 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.204 -0.302 17850 13684 1 16 . 1 1 142 142 ALA H H 142 8.399 8.399 8.005 0.394 17850 13685 1 16 . 1 1 143 143 ALA N N 143 120.555 120.555 118.070 2.485 17850 13686 1 16 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.989 0.125 17850 13687 1 16 . 1 1 143 143 ALA C C 143 180.455 180.455 178.924 1.531 17850 13688 1 16 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.635 0.378 17850 13689 1 16 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.395 -1.546 17850 13690 1 16 . 1 1 143 143 ALA H H 143 7.627 7.627 7.347 0.280 17850 13691 1 16 . 1 1 144 144 LEU N N 144 121.054 121.054 114.488 6.566 17850 13692 1 16 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.136 -0.203 17850 13693 1 16 . 1 1 144 144 LEU C C 144 177.756 177.756 176.966 0.790 17850 13694 1 16 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.577 2.119 17850 13695 1 16 . 1 1 144 144 LEU CB C 144 41.838 41.838 40.969 0.869 17850 13696 1 16 . 1 1 144 144 LEU H H 144 8.029 8.029 7.106 0.923 17850 13697 1 16 . 1 1 145 145 LEU N N 145 115.288 115.288 117.665 -2.377 17850 13698 1 16 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.316 -0.343 17850 13699 1 16 . 1 1 145 145 LEU C C 145 177.284 177.284 176.985 0.299 17850 13700 1 16 . 1 1 145 145 LEU CA C 145 55.284 55.284 55.808 -0.524 17850 13701 1 16 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.743 -1.133 17850 13702 1 16 . 1 1 145 145 LEU H H 145 7.309 7.309 7.987 -0.678 17850 13703 1 16 . 1 1 146 146 SER N N 146 114.503 114.503 115.483 -0.980 17850 13704 1 16 . 1 1 146 146 SER HA H 146 4.346 4.346 4.515 -0.169 17850 13705 1 16 . 1 1 146 146 SER C C 146 175.125 175.125 172.264 2.861 17850 13706 1 16 . 1 1 146 146 SER CA C 146 59.046 59.046 58.593 0.453 17850 13707 1 16 . 1 1 146 146 SER CB C 146 64.181 64.181 64.762 -0.581 17850 13708 1 16 . 1 1 146 146 SER H H 146 7.506 7.506 7.699 -0.193 17850 13709 1 16 . 1 1 147 147 LYS N N 147 123.315 123.315 119.514 3.801 17850 13710 1 16 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.158 0.009 17850 13711 1 16 . 1 1 147 147 LYS CA C 147 57.682 57.682 55.640 2.042 17850 13712 1 16 . 1 1 147 147 LYS H H 147 8.329 8.329 7.941 0.388 17850 13713 1 16 . 1 1 148 148 GLY N N 148 108.566 108.566 109.793 -1.227 17850 13714 1 16 . 1 1 148 148 GLY C C 148 174.394 174.394 174.302 0.092 17850 13715 1 16 . 1 1 148 148 GLY CA C 148 45.528 45.528 47.849 -2.321 17850 13716 1 16 . 1 1 148 148 GLY H H 148 8.353 8.353 8.765 -0.412 17850 13717 1 16 . 1 1 149 149 SER N N 149 115.356 115.356 113.320 2.036 17850 13718 1 16 . 1 1 149 149 SER HA H 149 4.484 4.484 4.626 -0.142 17850 13719 1 16 . 1 1 149 149 SER C C 149 175.038 175.038 173.119 1.919 17850 13720 1 16 . 1 1 149 149 SER CA C 149 58.418 58.418 58.169 0.249 17850 13721 1 16 . 1 1 149 149 SER CB C 149 64.171 64.171 65.155 -0.984 17850 13722 1 16 . 1 1 149 149 SER H H 149 7.993 7.993 7.803 0.190 17850 13723 1 16 . 1 1 150 150 SER N N 150 118.028 118.028 117.600 0.428 17850 13724 1 16 . 1 1 150 150 SER HA H 150 4.490 4.490 4.637 -0.147 17850 13725 1 16 . 1 1 150 150 SER C C 150 175.034 175.034 173.221 1.813 17850 13726 1 16 . 1 1 150 150 SER CA C 150 59.029 59.029 56.999 2.030 17850 13727 1 16 . 1 1 150 150 SER CB C 150 63.407 63.407 65.565 -2.158 17850 13728 1 16 . 1 1 150 150 SER H H 150 8.530 8.530 8.121 0.409 17850 13729 1 17 . 1 1 1 1 GLY N N 1 109.911 109.911 109.833 0.078 17850 13730 1 17 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.924 0.512 17850 13731 1 17 . 1 1 1 1 GLY H H 1 8.410 8.410 8.320 0.090 17850 13732 1 17 . 1 1 2 2 SER N N 2 115.579 115.579 117.912 -2.333 17850 13733 1 17 . 1 1 2 2 SER HA H 2 4.474 4.474 4.669 -0.195 17850 13734 1 17 . 1 1 2 2 SER C C 2 174.661 174.661 174.455 0.206 17850 13735 1 17 . 1 1 2 2 SER CA C 2 58.374 58.374 58.050 0.324 17850 13736 1 17 . 1 1 2 2 SER CB C 2 63.986 63.986 64.855 -0.869 17850 13737 1 17 . 1 1 2 2 SER H H 2 8.207 8.207 8.443 -0.236 17850 13738 1 17 . 1 1 3 3 SER N N 3 117.154 117.154 116.051 1.103 17850 13739 1 17 . 1 1 3 3 SER HA H 3 4.439 4.439 4.621 -0.182 17850 13740 1 17 . 1 1 3 3 SER C C 3 174.122 174.122 173.386 0.736 17850 13741 1 17 . 1 1 3 3 SER CA C 3 58.695 58.695 58.287 0.408 17850 13742 1 17 . 1 1 3 3 SER CB C 3 63.865 63.865 63.541 0.324 17850 13743 1 17 . 1 1 3 3 SER H H 3 8.337 8.337 8.597 -0.260 17850 13744 1 17 . 1 1 4 4 ASN N N 4 120.145 120.145 119.698 0.447 17850 13745 1 17 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.059 -0.333 17850 13746 1 17 . 1 1 4 4 ASN C C 4 174.741 174.741 175.436 -0.695 17850 13747 1 17 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.171 1.155 17850 13748 1 17 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.543 -0.741 17850 13749 1 17 . 1 1 4 4 ASN H H 4 8.432 8.432 7.549 0.883 17850 13750 1 17 . 1 1 5 5 LEU N N 5 121.341 121.341 120.346 0.995 17850 13751 1 17 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.609 0.070 17850 13752 1 17 . 1 1 5 5 LEU C C 5 177.641 177.641 177.735 -0.094 17850 13753 1 17 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.499 1.966 17850 13754 1 17 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.403 -0.690 17850 13755 1 17 . 1 1 5 5 LEU H H 5 7.966 7.966 8.304 -0.338 17850 13756 1 17 . 1 1 6 6 THR N N 6 113.168 113.168 116.656 -3.488 17850 13757 1 17 . 1 1 6 6 THR HA H 6 4.470 4.470 3.938 0.532 17850 13758 1 17 . 1 1 6 6 THR C C 6 175.390 175.390 176.444 -1.054 17850 13759 1 17 . 1 1 6 6 THR CA C 6 60.543 60.543 65.371 -4.828 17850 13760 1 17 . 1 1 6 6 THR CB C 6 71.190 71.190 68.369 2.821 17850 13761 1 17 . 1 1 6 6 THR H H 6 8.716 8.716 8.877 -0.161 17850 13762 1 17 . 1 1 7 7 GLU N N 7 120.480 120.480 119.711 0.769 17850 13763 1 17 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.122 -0.137 17850 13764 1 17 . 1 1 7 7 GLU C C 7 179.475 179.475 179.635 -0.160 17850 13765 1 17 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.833 1.240 17850 13766 1 17 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.511 -0.218 17850 13767 1 17 . 1 1 7 7 GLU H H 7 8.997 8.997 7.828 1.169 17850 13768 1 17 . 1 1 8 8 GLU N N 8 119.766 119.766 119.480 0.286 17850 13769 1 17 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.209 -0.122 17850 13770 1 17 . 1 1 8 8 GLU C C 8 178.641 178.641 179.302 -0.661 17850 13771 1 17 . 1 1 8 8 GLU CA C 8 59.835 59.835 59.055 0.780 17850 13772 1 17 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.369 0.029 17850 13773 1 17 . 1 1 8 8 GLU H H 8 8.603 8.603 7.715 0.888 17850 13774 1 17 . 1 1 9 9 GLN N N 9 119.234 119.234 116.348 2.886 17850 13775 1 17 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.427 -0.498 17850 13776 1 17 . 1 1 9 9 GLN C C 9 178.969 178.969 177.961 1.008 17850 13777 1 17 . 1 1 9 9 GLN CA C 9 58.718 58.718 55.908 2.810 17850 13778 1 17 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.582 3.000 17850 13779 1 17 . 1 1 9 9 GLN H H 9 7.730 7.730 8.288 -0.558 17850 13780 1 17 . 1 1 10 10 ILE N N 10 119.661 119.661 118.762 0.899 17850 13781 1 17 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.093 -0.330 17850 13782 1 17 . 1 1 10 10 ILE C C 10 178.040 178.040 177.338 0.702 17850 13783 1 17 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.108 3.114 17850 13784 1 17 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.630 0.322 17850 13785 1 17 . 1 1 10 10 ILE H H 10 8.398 8.398 8.232 0.166 17850 13786 1 17 . 1 1 11 11 ALA N N 11 121.678 121.678 123.150 -1.472 17850 13787 1 17 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.018 0.115 17850 13788 1 17 . 1 1 11 11 ALA C C 11 181.140 181.140 180.165 0.975 17850 13789 1 17 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.356 1.097 17850 13790 1 17 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.764 -0.852 17850 13791 1 17 . 1 1 11 11 ALA H H 11 8.037 8.037 7.515 0.522 17850 13792 1 17 . 1 1 12 12 GLU N N 12 118.175 118.175 118.279 -0.104 17850 13793 1 17 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.274 -0.156 17850 13794 1 17 . 1 1 12 12 GLU C C 12 180.185 180.185 178.541 1.644 17850 13795 1 17 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.481 -0.286 17850 13796 1 17 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.927 0.452 17850 13797 1 17 . 1 1 12 12 GLU H H 12 7.869 7.869 7.555 0.314 17850 13798 1 17 . 1 1 13 13 PHE N N 13 119.011 119.011 119.008 0.003 17850 13799 1 17 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.138 0.752 17850 13800 1 17 . 1 1 13 13 PHE C C 13 178.486 178.486 178.407 0.079 17850 13801 1 17 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.469 -1.020 17850 13802 1 17 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.237 0.662 17850 13803 1 17 . 1 1 13 13 PHE H H 13 8.429 8.429 7.886 0.543 17850 13804 1 17 . 1 1 14 14 LYS N N 14 123.459 123.459 118.466 4.993 17850 13805 1 17 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.156 -0.124 17850 13806 1 17 . 1 1 14 14 LYS C C 14 179.131 179.131 178.895 0.236 17850 13807 1 17 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.541 1.949 17850 13808 1 17 . 1 1 14 14 LYS CB C 14 31.913 31.913 31.875 0.038 17850 13809 1 17 . 1 1 14 14 LYS H H 14 8.925 8.925 7.991 0.934 17850 13810 1 17 . 1 1 15 15 GLU N N 15 119.581 119.581 118.761 0.820 17850 13811 1 17 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.340 -0.172 17850 13812 1 17 . 1 1 15 15 GLU C C 15 179.163 179.163 177.836 1.327 17850 13813 1 17 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.997 0.388 17850 13814 1 17 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.473 -0.086 17850 13815 1 17 . 1 1 15 15 GLU H H 15 8.064 8.064 7.758 0.306 17850 13816 1 17 . 1 1 16 16 ALA N N 16 120.993 120.993 121.686 -0.693 17850 13817 1 17 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.271 0.971 17850 13818 1 17 . 1 1 16 16 ALA C C 16 177.628 177.628 178.346 -0.718 17850 13819 1 17 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.675 2.510 17850 13820 1 17 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.534 -1.610 17850 13821 1 17 . 1 1 16 16 ALA H H 16 7.801 7.801 7.848 -0.047 17850 13822 1 17 . 1 1 17 17 PHE N N 17 118.745 118.745 120.564 -1.819 17850 13823 1 17 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.472 -1.118 17850 13824 1 17 . 1 1 17 17 PHE C C 17 177.500 177.500 177.125 0.375 17850 13825 1 17 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.214 1.486 17850 13826 1 17 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.140 1.838 17850 13827 1 17 . 1 1 17 17 PHE H H 17 8.469 8.469 7.780 0.689 17850 13828 1 17 . 1 1 18 18 ALA N N 18 119.942 119.942 118.007 1.935 17850 13829 1 17 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.661 0.349 17850 13830 1 17 . 1 1 18 18 ALA C C 18 178.535 178.535 178.329 0.206 17850 13831 1 17 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.296 0.120 17850 13832 1 17 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.383 0.104 17850 13833 1 17 . 1 1 18 18 ALA H H 18 8.187 8.187 7.297 0.890 17850 13834 1 17 . 1 1 19 19 LEU N N 19 116.851 116.851 112.539 4.312 17850 13835 1 17 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.296 -0.336 17850 13836 1 17 . 1 1 19 19 LEU C C 19 176.795 176.795 177.426 -0.631 17850 13837 1 17 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.627 2.808 17850 13838 1 17 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.476 -1.794 17850 13839 1 17 . 1 1 19 19 LEU H H 19 7.254 7.254 7.275 -0.021 17850 13840 1 17 . 1 1 20 20 PHE N N 20 111.977 111.977 121.265 -9.288 17850 13841 1 17 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.208 0.051 17850 13842 1 17 . 1 1 20 20 PHE C C 20 177.033 177.033 176.371 0.662 17850 13843 1 17 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.218 -0.562 17850 13844 1 17 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.888 4.276 17850 13845 1 17 . 1 1 20 20 PHE H H 20 7.041 7.041 8.063 -1.022 17850 13846 1 17 . 1 1 21 21 ASP N N 21 116.981 116.981 124.193 -7.212 17850 13847 1 17 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.340 0.245 17850 13848 1 17 . 1 1 21 21 ASP C C 21 177.297 177.297 177.542 -0.245 17850 13849 1 17 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.352 -3.682 17850 13850 1 17 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.554 -1.552 17850 13851 1 17 . 1 1 21 21 ASP H H 21 7.567 7.567 8.209 -0.642 17850 13852 1 17 . 1 1 22 22 LYS N N 22 124.748 124.748 115.438 9.310 17850 13853 1 17 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.145 -0.153 17850 13854 1 17 . 1 1 22 22 LYS C C 22 177.866 177.866 176.135 1.731 17850 13855 1 17 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.600 1.633 17850 13856 1 17 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.378 0.249 17850 13857 1 17 . 1 1 22 22 LYS H H 22 7.820 7.820 8.247 -0.427 17850 13858 1 17 . 1 1 23 23 ASP N N 23 114.211 114.211 117.277 -3.066 17850 13859 1 17 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.369 0.234 17850 13860 1 17 . 1 1 23 23 ASP C C 23 176.266 176.266 175.522 0.744 17850 13861 1 17 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.182 -2.535 17850 13862 1 17 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.051 0.232 17850 13863 1 17 . 1 1 23 23 ASP H H 23 8.025 8.025 8.280 -0.255 17850 13864 1 17 . 1 1 24 24 ASN N N 24 115.587 115.587 117.649 -2.062 17850 13865 1 17 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.738 -0.349 17850 13866 1 17 . 1 1 24 24 ASN C C 24 174.828 174.828 176.534 -1.706 17850 13867 1 17 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.304 1.202 17850 13868 1 17 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.143 -1.112 17850 13869 1 17 . 1 1 24 24 ASN H H 24 7.962 7.962 8.501 -0.539 17850 13870 1 17 . 1 1 25 25 ASN N N 25 117.385 117.385 118.731 -1.346 17850 13871 1 17 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.602 0.246 17850 13872 1 17 . 1 1 25 25 ASN C C 25 177.553 177.553 174.204 3.349 17850 13873 1 17 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.141 -0.826 17850 13874 1 17 . 1 1 25 25 ASN H H 25 8.489 8.489 8.348 0.141 17850 13875 1 17 . 1 1 26 26 GLY N N 26 113.934 113.934 107.431 6.503 17850 13876 1 17 . 1 1 26 26 GLY C C 26 173.371 173.371 173.481 -0.110 17850 13877 1 17 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.065 0.473 17850 13878 1 17 . 1 1 26 26 GLY H H 26 10.580 10.580 8.458 2.122 17850 13879 1 17 . 1 1 27 27 SER N N 27 113.842 113.842 121.696 -7.854 17850 13880 1 17 . 1 1 27 27 SER HA H 27 5.358 5.358 4.842 0.516 17850 13881 1 17 . 1 1 27 27 SER C C 27 172.645 172.645 175.158 -2.513 17850 13882 1 17 . 1 1 27 27 SER CA C 27 57.474 57.474 57.390 0.084 17850 13883 1 17 . 1 1 27 27 SER CB C 27 66.576 66.576 63.511 3.065 17850 13884 1 17 . 1 1 27 27 SER H H 27 7.793 7.793 9.108 -1.315 17850 13885 1 17 . 1 1 28 28 ILE N N 28 127.597 127.597 128.044 -0.447 17850 13886 1 17 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.327 0.498 17850 13887 1 17 . 1 1 28 28 ILE C C 28 175.890 175.890 177.550 -1.660 17850 13888 1 17 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.236 -0.060 17850 13889 1 17 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.791 -0.697 17850 13890 1 17 . 1 1 28 28 ILE H H 28 9.787 9.787 9.069 0.718 17850 13891 1 17 . 1 1 29 29 SER N N 29 124.860 124.860 118.182 6.678 17850 13892 1 17 . 1 1 29 29 SER HA H 29 4.813 4.813 4.096 0.717 17850 13893 1 17 . 1 1 29 29 SER C C 29 175.477 175.477 176.506 -1.029 17850 13894 1 17 . 1 1 29 29 SER CA C 29 56.583 56.583 61.101 -4.518 17850 13895 1 17 . 1 1 29 29 SER CB C 29 66.269 66.269 62.447 3.821 17850 13896 1 17 . 1 1 29 29 SER H H 29 9.320 9.320 8.324 0.996 17850 13897 1 17 . 1 1 30 30 SER N N 30 117.383 117.383 116.440 0.943 17850 13898 1 17 . 1 1 30 30 SER HA H 30 4.141 4.141 4.471 -0.330 17850 13899 1 17 . 1 1 30 30 SER C C 30 176.531 176.531 175.608 0.923 17850 13900 1 17 . 1 1 30 30 SER CA C 30 62.690 62.690 60.591 2.099 17850 13901 1 17 . 1 1 30 30 SER CB C 30 62.264 62.264 63.486 -1.222 17850 13902 1 17 . 1 1 30 30 SER H H 30 9.554 9.554 8.194 1.360 17850 13903 1 17 . 1 1 31 31 SER N N 31 116.232 116.232 116.604 -0.372 17850 13904 1 17 . 1 1 31 31 SER HA H 31 4.309 4.309 4.304 0.005 17850 13905 1 17 . 1 1 31 31 SER C C 31 178.017 178.017 175.764 2.253 17850 13906 1 17 . 1 1 31 31 SER CA C 31 61.332 61.332 60.254 1.078 17850 13907 1 17 . 1 1 31 31 SER CB C 31 62.512 62.512 63.833 -1.321 17850 13908 1 17 . 1 1 31 31 SER H H 31 8.141 8.141 8.103 0.038 17850 13909 1 17 . 1 1 32 32 GLU N N 32 125.663 125.663 119.304 6.359 17850 13910 1 17 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.204 -0.151 17850 13911 1 17 . 1 1 32 32 GLU C C 32 179.222 179.222 178.382 0.840 17850 13912 1 17 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.562 0.137 17850 13913 1 17 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.761 -0.508 17850 13914 1 17 . 1 1 32 32 GLU H H 32 7.947 7.947 8.664 -0.717 17850 13915 1 17 . 1 1 33 33 LEU N N 33 120.624 120.624 118.724 1.900 17850 13916 1 17 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.046 0.122 17850 13917 1 17 . 1 1 33 33 LEU C C 33 178.493 178.493 178.687 -0.194 17850 13918 1 17 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.279 1.629 17850 13919 1 17 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.005 1.312 17850 13920 1 17 . 1 1 33 33 LEU H H 33 8.424 8.424 7.732 0.692 17850 13921 1 17 . 1 1 34 34 ALA N N 34 119.635 119.635 120.851 -1.216 17850 13922 1 17 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.024 -0.200 17850 13923 1 17 . 1 1 34 34 ALA C C 34 179.360 179.360 178.807 0.553 17850 13924 1 17 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.689 -0.093 17850 13925 1 17 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.677 0.000 17850 13926 1 17 . 1 1 34 34 ALA H H 34 8.410 8.410 7.944 0.466 17850 13927 1 17 . 1 1 35 35 THR N N 35 114.602 114.602 116.473 -1.871 17850 13928 1 17 . 1 1 35 35 THR HA H 35 3.886 3.886 3.929 -0.043 17850 13929 1 17 . 1 1 35 35 THR C C 35 177.278 177.278 175.959 1.319 17850 13930 1 17 . 1 1 35 35 THR CA C 35 67.317 67.317 65.718 1.599 17850 13931 1 17 . 1 1 35 35 THR CB C 35 68.774 68.774 69.219 -0.445 17850 13932 1 17 . 1 1 35 35 THR H H 35 8.263 8.263 8.013 0.250 17850 13933 1 17 . 1 1 36 36 VAL N N 36 122.295 122.295 118.467 3.828 17850 13934 1 17 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.573 0.032 17850 13935 1 17 . 1 1 36 36 VAL C C 36 178.653 178.653 178.183 0.470 17850 13936 1 17 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.916 -0.178 17850 13937 1 17 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.267 0.036 17850 13938 1 17 . 1 1 36 36 VAL H H 36 7.790 7.790 7.641 0.149 17850 13939 1 17 . 1 1 37 37 MET N N 37 117.677 117.677 116.807 0.870 17850 13940 1 17 . 1 1 37 37 MET HA H 37 3.642 3.642 4.362 -0.720 17850 13941 1 17 . 1 1 37 37 MET C C 37 178.172 178.172 179.264 -1.092 17850 13942 1 17 . 1 1 37 37 MET CA C 37 60.506 60.506 58.088 2.418 17850 13943 1 17 . 1 1 37 37 MET CB C 37 32.347 32.347 31.833 0.514 17850 13944 1 17 . 1 1 37 37 MET H H 37 8.081 8.081 8.062 0.019 17850 13945 1 17 . 1 1 38 38 ARG N N 38 118.309 118.309 121.451 -3.142 17850 13946 1 17 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.056 0.632 17850 13947 1 17 . 1 1 38 38 ARG C C 38 181.486 181.486 178.478 3.008 17850 13948 1 17 . 1 1 38 38 ARG CA C 38 59.101 59.101 59.210 -0.109 17850 13949 1 17 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.926 0.086 17850 13950 1 17 . 1 1 38 38 ARG H H 38 8.547 8.547 7.696 0.851 17850 13951 1 17 . 1 1 39 39 SER N N 39 119.250 119.250 111.683 7.567 17850 13952 1 17 . 1 1 39 39 SER HA H 39 4.301 4.301 4.219 0.082 17850 13953 1 17 . 1 1 39 39 SER C C 39 174.899 174.899 174.875 0.024 17850 13954 1 17 . 1 1 39 39 SER CA C 39 61.925 61.925 59.814 2.111 17850 13955 1 17 . 1 1 39 39 SER CB C 39 62.773 62.773 63.421 -0.648 17850 13956 1 17 . 1 1 39 39 SER H H 39 8.226 8.226 8.231 -0.005 17850 13957 1 17 . 1 1 40 40 LEU N N 40 119.516 119.516 116.476 3.040 17850 13958 1 17 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.064 0.206 17850 13959 1 17 . 1 1 40 40 LEU C C 40 176.681 176.681 176.666 0.015 17850 13960 1 17 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.278 0.305 17850 13961 1 17 . 1 1 40 40 LEU H H 40 7.343 7.343 7.583 -0.240 17850 13962 1 17 . 1 1 41 41 GLY N N 41 105.983 105.983 107.207 -1.224 17850 13963 1 17 . 1 1 41 41 GLY C C 41 174.471 174.471 175.050 -0.579 17850 13964 1 17 . 1 1 41 41 GLY CA C 41 45.239 45.239 45.177 0.062 17850 13965 1 17 . 1 1 41 41 GLY H H 41 7.858 7.858 7.991 -0.133 17850 13966 1 17 . 1 1 42 42 LEU N N 42 120.442 120.442 118.403 2.039 17850 13967 1 17 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.529 -0.058 17850 13968 1 17 . 1 1 42 42 LEU C C 42 175.965 175.965 174.355 1.610 17850 13969 1 17 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.103 1.142 17850 13970 1 17 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.044 0.487 17850 13971 1 17 . 1 1 42 42 LEU H H 42 7.707 7.707 8.414 -0.707 17850 13972 1 17 . 1 1 43 43 SER HA H 43 4.798 4.798 4.687 0.111 17850 13973 1 17 . 1 1 43 43 SER CA C 43 54.912 54.912 57.380 -2.468 17850 13974 1 17 . 1 1 43 43 SER CB C 43 63.197 63.197 63.473 -0.276 17850 13975 1 17 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.501 0.291 17850 13976 1 17 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.050 -0.168 17850 13977 1 17 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.768 -1.568 17850 13978 1 17 . 1 1 45 45 SER N N 45 119.898 119.898 123.004 -3.106 17850 13979 1 17 . 1 1 45 45 SER HA H 45 4.611 4.611 4.101 0.510 17850 13980 1 17 . 1 1 45 45 SER C C 45 174.913 174.913 175.753 -0.840 17850 13981 1 17 . 1 1 45 45 SER CA C 45 56.689 56.689 61.338 -4.649 17850 13982 1 17 . 1 1 45 45 SER CB C 45 65.502 65.502 63.179 2.323 17850 13983 1 17 . 1 1 45 45 SER H H 45 9.387 9.387 9.119 0.268 17850 13984 1 17 . 1 1 46 46 GLU N N 46 121.468 121.468 119.024 2.444 17850 13985 1 17 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.128 -0.189 17850 13986 1 17 . 1 1 46 46 GLU C C 46 179.002 179.002 178.839 0.163 17850 13987 1 17 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.487 0.648 17850 13988 1 17 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.887 0.460 17850 13989 1 17 . 1 1 46 46 GLU H H 46 8.913 8.913 7.837 1.076 17850 13990 1 17 . 1 1 47 47 ALA N N 47 121.115 121.115 121.574 -0.459 17850 13991 1 17 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.100 0.052 17850 13992 1 17 . 1 1 47 47 ALA C C 47 179.962 179.962 180.159 -0.197 17850 13993 1 17 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.602 0.516 17850 13994 1 17 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.223 -0.868 17850 13995 1 17 . 1 1 47 47 ALA H H 47 8.324 8.324 7.446 0.878 17850 13996 1 17 . 1 1 48 48 GLU N N 48 118.713 118.713 120.164 -1.451 17850 13997 1 17 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.788 0.316 17850 13998 1 17 . 1 1 48 48 GLU C C 48 179.558 179.558 178.291 1.267 17850 13999 1 17 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.202 -1.984 17850 14000 1 17 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.966 0.938 17850 14001 1 17 . 1 1 48 48 GLU H H 48 7.756 7.756 8.918 -1.162 17850 14002 1 17 . 1 1 49 49 VAL N N 49 119.108 119.108 119.323 -0.215 17850 14003 1 17 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.841 -0.377 17850 14004 1 17 . 1 1 49 49 VAL C C 49 177.505 177.505 177.962 -0.457 17850 14005 1 17 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.495 1.976 17850 14006 1 17 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.191 0.250 17850 14007 1 17 . 1 1 49 49 VAL H H 49 8.129 8.129 7.767 0.362 17850 14008 1 17 . 1 1 50 50 ASN N N 50 117.942 117.942 118.417 -0.475 17850 14009 1 17 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.573 -0.185 17850 14010 1 17 . 1 1 50 50 ASN C C 50 177.275 177.275 176.540 0.735 17850 14011 1 17 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.006 1.775 17850 14012 1 17 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.487 -0.090 17850 14013 1 17 . 1 1 50 50 ASN H H 50 8.071 8.071 7.725 0.346 17850 14014 1 17 . 1 1 51 51 ASP N N 51 120.669 120.669 118.710 1.959 17850 14015 1 17 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.563 -0.072 17850 14016 1 17 . 1 1 51 51 ASP C C 51 179.203 179.203 178.255 0.948 17850 14017 1 17 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.367 1.228 17850 14018 1 17 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.026 -0.712 17850 14019 1 17 . 1 1 51 51 ASP H H 51 8.364 8.364 8.316 0.048 17850 14020 1 17 . 1 1 52 52 LEU N N 52 122.409 122.409 117.320 5.089 17850 14021 1 17 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.184 -0.114 17850 14022 1 17 . 1 1 52 52 LEU C C 52 179.017 179.017 177.896 1.121 17850 14023 1 17 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.711 0.746 17850 14024 1 17 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.765 0.316 17850 14025 1 17 . 1 1 52 52 LEU H H 52 8.018 8.018 8.596 -0.578 17850 14026 1 17 . 1 1 53 53 MET N N 53 117.391 117.391 117.619 -0.228 17850 14027 1 17 . 1 1 53 53 MET HA H 53 4.112 4.112 4.473 -0.361 17850 14028 1 17 . 1 1 53 53 MET CA C 53 57.472 57.472 57.065 0.408 17850 14029 1 17 . 1 1 53 53 MET CB C 53 30.021 30.021 33.042 -3.021 17850 14030 1 17 . 1 1 53 53 MET H H 53 8.562 8.562 8.456 0.106 17850 14031 1 17 . 1 1 54 54 ASN N N 54 115.554 115.554 115.942 -0.388 17850 14032 1 17 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.694 -0.136 17850 14033 1 17 . 1 1 54 54 ASN C C 54 176.801 176.801 175.159 1.642 17850 14034 1 17 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.586 1.711 17850 14035 1 17 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.786 -0.629 17850 14036 1 17 . 1 1 54 54 ASN H H 54 8.204 8.204 7.648 0.556 17850 14037 1 17 . 1 1 55 55 GLU N N 55 117.659 117.659 116.349 1.310 17850 14038 1 17 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.433 -0.231 17850 14039 1 17 . 1 1 55 55 GLU C C 55 177.093 177.093 176.940 0.153 17850 14040 1 17 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.814 2.013 17850 14041 1 17 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.282 -0.262 17850 14042 1 17 . 1 1 55 55 GLU H H 55 7.617 7.617 7.314 0.303 17850 14043 1 17 . 1 1 56 56 ILE N N 56 117.618 117.618 123.272 -5.654 17850 14044 1 17 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.133 -0.249 17850 14045 1 17 . 1 1 56 56 ILE C C 56 176.029 176.029 176.892 -0.863 17850 14046 1 17 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.942 -0.128 17850 14047 1 17 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.380 1.548 17850 14048 1 17 . 1 1 56 56 ILE H H 56 7.472 7.472 7.889 -0.417 17850 14049 1 17 . 1 1 57 57 ASP N N 57 118.636 118.636 124.733 -6.097 17850 14050 1 17 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.511 -0.099 17850 14051 1 17 . 1 1 57 57 ASP C C 57 175.691 175.691 176.278 -0.587 17850 14052 1 17 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.584 -1.051 17850 14053 1 17 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.853 0.392 17850 14054 1 17 . 1 1 57 57 ASP H H 57 8.304 8.304 8.933 -0.629 17850 14055 1 17 . 1 1 58 58 VAL N N 58 126.376 126.376 117.101 9.275 17850 14056 1 17 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.133 -0.139 17850 14057 1 17 . 1 1 58 58 VAL C C 58 177.258 177.258 176.851 0.407 17850 14058 1 17 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.842 2.492 17850 14059 1 17 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.283 1.024 17850 14060 1 17 . 1 1 58 58 VAL H H 58 7.926 7.926 7.490 0.436 17850 14061 1 17 . 1 1 59 59 ASP N N 59 117.093 117.093 120.021 -2.928 17850 14062 1 17 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.254 0.303 17850 14063 1 17 . 1 1 59 59 ASP C C 59 177.759 177.759 176.815 0.944 17850 14064 1 17 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.941 -1.065 17850 14065 1 17 . 1 1 59 59 ASP H H 59 8.363 8.363 8.267 0.096 17850 14066 1 17 . 1 1 60 60 GLY N N 60 108.290 108.290 108.547 -0.257 17850 14067 1 17 . 1 1 60 60 GLY C C 60 174.700 174.700 175.333 -0.633 17850 14068 1 17 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.940 3.180 17850 14069 1 17 . 1 1 60 60 GLY H H 60 7.636 7.636 8.806 -1.170 17850 14070 1 17 . 1 1 61 61 ASN N N 61 118.884 118.884 116.270 2.614 17850 14071 1 17 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.230 0.299 17850 14072 1 17 . 1 1 61 61 ASN C C 61 175.856 175.856 172.896 2.960 17850 14073 1 17 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.802 -2.442 17850 14074 1 17 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.621 0.556 17850 14075 1 17 . 1 1 61 61 ASN H H 61 8.078 8.078 8.507 -0.429 17850 14076 1 17 . 1 1 62 62 HIS N N 62 117.381 117.381 112.775 4.606 17850 14077 1 17 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.092 -1.215 17850 14078 1 17 . 1 1 62 62 HIS C C 62 172.310 172.310 173.753 -1.443 17850 14079 1 17 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.514 1.859 17850 14080 1 17 . 1 1 62 62 HIS CB C 62 26.734 26.734 34.984 -8.250 17850 14081 1 17 . 1 1 62 62 HIS H H 62 9.958 9.958 8.391 1.567 17850 14082 1 17 . 1 1 63 63 GLN N N 63 112.906 112.906 121.117 -8.211 17850 14083 1 17 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.011 -0.179 17850 14084 1 17 . 1 1 63 63 GLN C C 63 174.861 174.861 176.219 -1.358 17850 14085 1 17 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.618 -0.743 17850 14086 1 17 . 1 1 63 63 GLN CB C 63 32.150 32.150 29.960 2.190 17850 14087 1 17 . 1 1 63 63 GLN H H 63 7.535 7.535 8.365 -0.830 17850 14088 1 17 . 1 1 64 64 ILE N N 64 124.083 124.083 127.351 -3.268 17850 14089 1 17 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.728 0.344 17850 14090 1 17 . 1 1 64 64 ILE C C 64 176.670 176.670 176.461 0.209 17850 14091 1 17 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.797 -0.126 17850 14092 1 17 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.858 -1.692 17850 14093 1 17 . 1 1 64 64 ILE H H 64 9.274 9.274 8.902 0.372 17850 14094 1 17 . 1 1 65 65 GLU N N 65 129.276 129.276 120.279 8.997 17850 14095 1 17 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.482 2.558 17850 14096 1 17 . 1 1 65 65 GLU C C 65 178.156 178.156 176.640 1.516 17850 14097 1 17 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.353 0.495 17850 14098 1 17 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.631 1.548 17850 14099 1 17 . 1 1 65 65 GLU H H 65 8.848 8.848 8.978 -0.130 17850 14100 1 17 . 1 1 66 66 PHE N N 66 124.260 124.260 118.952 5.308 17850 14101 1 17 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.854 -0.164 17850 14102 1 17 . 1 1 66 66 PHE C C 66 177.294 177.294 177.168 0.126 17850 14103 1 17 . 1 1 66 66 PHE CA C 66 62.020 62.020 59.769 2.251 17850 14104 1 17 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.529 -0.575 17850 14105 1 17 . 1 1 66 66 PHE H H 66 9.353 9.353 8.337 1.016 17850 14106 1 17 . 1 1 67 67 SER N N 67 112.827 112.827 118.445 -5.618 17850 14107 1 17 . 1 1 67 67 SER HA H 67 3.726 3.726 4.067 -0.341 17850 14108 1 17 . 1 1 67 67 SER C C 67 177.352 177.352 176.528 0.824 17850 14109 1 17 . 1 1 67 67 SER CA C 67 61.581 61.581 61.272 0.309 17850 14110 1 17 . 1 1 67 67 SER CB C 67 61.379 61.379 62.788 -1.409 17850 14111 1 17 . 1 1 67 67 SER H H 67 9.035 9.035 7.973 1.062 17850 14112 1 17 . 1 1 68 68 GLU N N 68 123.071 123.071 119.985 3.086 17850 14113 1 17 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.985 0.150 17850 14114 1 17 . 1 1 68 68 GLU C C 68 178.895 178.895 178.022 0.873 17850 14115 1 17 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.079 -2.101 17850 14116 1 17 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.172 -0.895 17850 14117 1 17 . 1 1 68 68 GLU H H 68 6.829 6.829 8.317 -1.488 17850 14118 1 17 . 1 1 69 69 PHE N N 69 123.805 123.805 117.151 6.654 17850 14119 1 17 . 1 1 69 69 PHE HA H 69 3.899 3.899 3.971 -0.072 17850 14120 1 17 . 1 1 69 69 PHE C C 69 176.325 176.325 176.161 0.164 17850 14121 1 17 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.468 0.958 17850 14122 1 17 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.558 2.870 17850 14123 1 17 . 1 1 69 69 PHE H H 69 8.245 8.245 7.469 0.776 17850 14124 1 17 . 1 1 70 70 LEU N N 70 119.210 119.210 119.570 -0.360 17850 14125 1 17 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.935 -0.699 17850 14126 1 17 . 1 1 70 70 LEU C C 70 179.131 179.131 177.941 1.190 17850 14127 1 17 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.942 0.535 17850 14128 1 17 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.251 0.077 17850 14129 1 17 . 1 1 70 70 LEU H H 70 8.788 8.788 7.563 1.225 17850 14130 1 17 . 1 1 71 71 ALA N N 71 121.612 121.612 121.357 0.255 17850 14131 1 17 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.016 -0.107 17850 14132 1 17 . 1 1 71 71 ALA C C 71 179.804 179.804 179.482 0.322 17850 14133 1 17 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.805 0.311 17850 14134 1 17 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.922 -1.160 17850 14135 1 17 . 1 1 71 71 ALA H H 71 7.365 7.365 7.344 0.021 17850 14136 1 17 . 1 1 72 72 LEU N N 72 118.944 118.944 120.276 -1.332 17850 14137 1 17 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.959 0.005 17850 14138 1 17 . 1 1 72 72 LEU C C 72 178.415 178.415 178.650 -0.235 17850 14139 1 17 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.186 0.631 17850 14140 1 17 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.774 -0.306 17850 14141 1 17 . 1 1 72 72 LEU H H 72 7.142 7.142 7.695 -0.553 17850 14142 1 17 . 1 1 73 73 MET N N 73 114.500 114.500 116.054 -1.554 17850 14143 1 17 . 1 1 73 73 MET HA H 73 3.978 3.978 4.417 -0.439 17850 14144 1 17 . 1 1 73 73 MET C C 73 178.283 178.283 176.521 1.762 17850 14145 1 17 . 1 1 73 73 MET CA C 73 55.701 55.701 55.266 0.435 17850 14146 1 17 . 1 1 73 73 MET CB C 73 30.742 30.742 32.502 -1.760 17850 14147 1 17 . 1 1 73 73 MET H H 73 7.726 7.726 7.581 0.145 17850 14148 1 17 . 1 1 74 74 SER N N 74 112.626 112.626 115.045 -2.419 17850 14149 1 17 . 1 1 74 74 SER HA H 74 4.287 4.287 4.647 -0.360 17850 14150 1 17 . 1 1 74 74 SER C C 74 174.717 174.717 173.814 0.903 17850 14151 1 17 . 1 1 74 74 SER CA C 74 59.582 59.582 57.834 1.748 17850 14152 1 17 . 1 1 74 74 SER CB C 74 63.746 63.746 64.157 -0.411 17850 14153 1 17 . 1 1 74 74 SER H H 74 7.857 7.857 7.938 -0.081 17850 14154 1 17 . 1 1 75 75 ARG N N 75 122.130 122.130 119.662 2.468 17850 14155 1 17 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.602 -0.455 17850 14156 1 17 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.262 2.513 17850 14157 1 17 . 1 1 75 75 ARG CB C 75 30.666 30.666 31.235 -0.569 17850 14158 1 17 . 1 1 75 75 ARG H H 75 7.208 7.208 7.845 -0.637 17850 14159 1 17 . 1 1 76 76 GLN N N 76 121.749 121.749 113.111 8.638 17850 14160 1 17 . 1 1 76 76 GLN HA H 76 4.284 4.284 5.008 -0.724 17850 14161 1 17 . 1 1 76 76 GLN CA C 76 56.193 56.193 54.986 1.207 17850 14162 1 17 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.268 -1.211 17850 14163 1 17 . 1 1 76 76 GLN H H 76 8.327 8.327 7.560 0.767 17850 14164 1 17 . 1 1 77 77 LEU N N 77 124.093 124.093 122.790 1.303 17850 14165 1 17 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.480 -0.041 17850 14166 1 17 . 1 1 77 77 LEU C C 77 177.670 177.670 176.827 0.843 17850 14167 1 17 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.624 -0.341 17850 14168 1 17 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.181 -0.401 17850 14169 1 17 . 1 1 77 77 LEU H H 77 8.264 8.264 8.701 -0.437 17850 14170 1 17 . 1 1 78 78 LYS N N 78 121.053 121.053 119.595 1.458 17850 14171 1 17 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.538 -0.131 17850 14172 1 17 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.886 -0.701 17850 14173 1 17 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.667 -0.390 17850 14174 1 17 . 1 1 78 78 LYS H H 78 8.433 8.433 8.561 -0.128 17850 14175 1 17 . 1 1 79 79 SER N N 79 116.423 116.423 118.307 -1.884 17850 14176 1 17 . 1 1 79 79 SER HA H 79 4.321 4.321 4.749 -0.428 17850 14177 1 17 . 1 1 79 79 SER C C 79 175.145 175.145 173.532 1.613 17850 14178 1 17 . 1 1 79 79 SER CA C 79 59.795 59.795 57.977 1.818 17850 14179 1 17 . 1 1 79 79 SER CB C 79 63.226 63.226 63.460 -0.234 17850 14180 1 17 . 1 1 79 79 SER H H 79 8.448 8.448 8.399 0.049 17850 14181 1 17 . 1 1 80 80 ASN N N 80 119.581 119.581 120.979 -1.398 17850 14182 1 17 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.656 0.043 17850 14183 1 17 . 1 1 80 80 ASN C C 80 175.726 175.726 176.577 -0.851 17850 14184 1 17 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.788 -1.375 17850 14185 1 17 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.999 -0.411 17850 14186 1 17 . 1 1 80 80 ASN H H 80 8.513 8.513 8.006 0.507 17850 14187 1 17 . 1 1 81 81 ASP N N 81 120.378 120.378 120.031 0.347 17850 14188 1 17 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.477 0.153 17850 14189 1 17 . 1 1 81 81 ASP C C 81 177.281 177.281 178.052 -0.771 17850 14190 1 17 . 1 1 81 81 ASP CA C 81 55.593 55.593 56.967 -1.374 17850 14191 1 17 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.735 0.871 17850 14192 1 17 . 1 1 81 81 ASP H H 81 7.957 7.957 8.765 -0.808 17850 14193 1 17 . 1 1 82 82 SER N N 82 117.046 117.046 114.821 2.225 17850 14194 1 17 . 1 1 82 82 SER HA H 82 4.194 4.194 4.216 -0.022 17850 14195 1 17 . 1 1 82 82 SER C C 82 176.745 176.745 176.365 0.380 17850 14196 1 17 . 1 1 82 82 SER CA C 82 61.376 61.376 60.632 0.744 17850 14197 1 17 . 1 1 82 82 SER CB C 82 62.896 62.896 63.245 -0.349 17850 14198 1 17 . 1 1 82 82 SER H H 82 8.469 8.469 8.322 0.147 17850 14199 1 17 . 1 1 83 83 GLU N N 83 122.405 122.405 119.218 3.187 17850 14200 1 17 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.034 0.066 17850 14201 1 17 . 1 1 83 83 GLU C C 83 178.740 178.740 179.276 -0.536 17850 14202 1 17 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.772 -0.307 17850 14203 1 17 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.587 -0.183 17850 14204 1 17 . 1 1 83 83 GLU H H 83 8.357 8.357 7.754 0.603 17850 14205 1 17 . 1 1 84 84 GLN N N 84 118.604 118.604 118.479 0.125 17850 14206 1 17 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.187 -0.078 17850 14207 1 17 . 1 1 84 84 GLN C C 84 178.533 178.533 178.557 -0.024 17850 14208 1 17 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.565 -0.098 17850 14209 1 17 . 1 1 84 84 GLN CB C 84 28.421 28.421 28.113 0.308 17850 14210 1 17 . 1 1 84 84 GLN H H 84 7.988 7.988 8.632 -0.644 17850 14211 1 17 . 1 1 85 85 GLU N N 85 119.418 119.418 119.723 -0.305 17850 14212 1 17 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.322 -0.380 17850 14213 1 17 . 1 1 85 85 GLU C C 85 178.250 178.250 179.021 -0.771 17850 14214 1 17 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.182 0.942 17850 14215 1 17 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.841 -0.269 17850 14216 1 17 . 1 1 85 85 GLU H H 85 8.228 8.228 8.082 0.146 17850 14217 1 17 . 1 1 86 86 LEU N N 86 120.010 120.010 117.423 2.587 17850 14218 1 17 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.138 0.021 17850 14219 1 17 . 1 1 86 86 LEU C C 86 178.534 178.534 178.895 -0.361 17850 14220 1 17 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.793 -0.586 17850 14221 1 17 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.804 0.822 17850 14222 1 17 . 1 1 86 86 LEU H H 86 7.797 7.797 8.483 -0.686 17850 14223 1 17 . 1 1 87 87 LEU N N 87 119.111 119.111 120.075 -0.964 17850 14224 1 17 . 1 1 87 87 LEU HA H 87 4.104 4.104 3.942 0.162 17850 14225 1 17 . 1 1 87 87 LEU C C 87 179.333 179.333 179.269 0.064 17850 14226 1 17 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.344 -0.101 17850 14227 1 17 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.825 -0.059 17850 14228 1 17 . 1 1 87 87 LEU H H 87 7.825 7.825 8.595 -0.770 17850 14229 1 17 . 1 1 88 88 GLU N N 88 117.514 117.514 119.007 -1.493 17850 14230 1 17 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.417 -0.316 17850 14231 1 17 . 1 1 88 88 GLU C C 88 179.461 179.461 178.327 1.134 17850 14232 1 17 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.172 -0.156 17850 14233 1 17 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.433 -0.763 17850 14234 1 17 . 1 1 88 88 GLU H H 88 8.265 8.265 8.169 0.096 17850 14235 1 17 . 1 1 89 89 ALA N N 89 120.734 120.734 124.033 -3.299 17850 14236 1 17 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.255 0.912 17850 14237 1 17 . 1 1 89 89 ALA C C 89 178.362 178.362 178.408 -0.046 17850 14238 1 17 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.114 0.964 17850 14239 1 17 . 1 1 89 89 ALA CB C 89 17.983 17.983 18.826 -0.843 17850 14240 1 17 . 1 1 89 89 ALA H H 89 8.192 8.192 8.412 -0.220 17850 14241 1 17 . 1 1 90 90 PHE N N 90 119.339 119.339 117.984 1.355 17850 14242 1 17 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.957 -0.758 17850 14243 1 17 . 1 1 90 90 PHE C C 90 177.497 177.497 177.665 -0.168 17850 14244 1 17 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.986 1.200 17850 14245 1 17 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.279 1.541 17850 14246 1 17 . 1 1 90 90 PHE H H 90 8.685 8.685 8.594 0.091 17850 14247 1 17 . 1 1 91 91 LYS N N 91 116.189 116.189 119.708 -3.519 17850 14248 1 17 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.976 -0.028 17850 14249 1 17 . 1 1 91 91 LYS C C 91 178.236 178.236 178.184 0.052 17850 14250 1 17 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.627 -0.113 17850 14251 1 17 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.446 0.425 17850 14252 1 17 . 1 1 91 91 LYS H H 91 8.112 8.112 7.469 0.643 17850 14253 1 17 . 1 1 92 92 VAL N N 92 117.696 117.696 117.193 0.503 17850 14254 1 17 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.928 -0.356 17850 14255 1 17 . 1 1 92 92 VAL C C 92 176.545 176.545 177.049 -0.504 17850 14256 1 17 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.202 0.370 17850 14257 1 17 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.301 -0.875 17850 14258 1 17 . 1 1 92 92 VAL H H 92 7.383 7.383 8.009 -0.626 17850 14259 1 17 . 1 1 93 93 PHE N N 93 114.826 114.826 117.718 -2.892 17850 14260 1 17 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.451 -0.224 17850 14261 1 17 . 1 1 93 93 PHE C C 93 176.417 176.417 175.825 0.592 17850 14262 1 17 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.883 0.717 17850 14263 1 17 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.533 2.663 17850 14264 1 17 . 1 1 93 93 PHE H H 93 7.116 7.116 8.063 -0.947 17850 14265 1 17 . 1 1 94 94 ASP N N 94 116.753 116.753 125.263 -8.510 17850 14266 1 17 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.496 0.035 17850 14267 1 17 . 1 1 94 94 ASP C C 94 177.305 177.305 177.127 0.178 17850 14268 1 17 . 1 1 94 94 ASP CA C 94 52.471 52.471 54.860 -2.389 17850 14269 1 17 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.422 -1.581 17850 14270 1 17 . 1 1 94 94 ASP H H 94 7.849 7.849 8.168 -0.319 17850 14271 1 17 . 1 1 95 95 LYS N N 95 125.185 125.185 119.859 5.326 17850 14272 1 17 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.133 -0.130 17850 14273 1 17 . 1 1 95 95 LYS C C 95 178.261 178.261 177.159 1.102 17850 14274 1 17 . 1 1 95 95 LYS CA C 95 58.077 58.077 57.211 0.867 17850 14275 1 17 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.987 -1.797 17850 14276 1 17 . 1 1 95 95 LYS H H 95 7.755 7.755 8.682 -0.927 17850 14277 1 17 . 1 1 96 96 ASN N N 96 112.542 112.542 119.615 -7.073 17850 14278 1 17 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.344 0.441 17850 14279 1 17 . 1 1 96 96 ASN C C 96 176.469 176.469 174.412 2.057 17850 14280 1 17 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.039 -1.177 17850 14281 1 17 . 1 1 96 96 ASN H H 96 8.069 8.069 8.119 -0.050 17850 14282 1 17 . 1 1 97 97 GLY N N 97 109.956 109.956 110.802 -0.846 17850 14283 1 17 . 1 1 97 97 GLY C C 97 175.032 175.032 175.732 -0.700 17850 14284 1 17 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.295 3.413 17850 14285 1 17 . 1 1 97 97 GLY H H 97 7.686 7.686 8.922 -1.236 17850 14286 1 17 . 1 1 98 98 ASP N N 98 119.383 119.383 120.276 -0.893 17850 14287 1 17 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.319 0.234 17850 14288 1 17 . 1 1 98 98 ASP C C 98 177.274 177.274 174.661 2.613 17850 14289 1 17 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.961 -1.627 17850 14290 1 17 . 1 1 98 98 ASP H H 98 8.249 8.249 8.048 0.201 17850 14291 1 17 . 1 1 99 99 GLY N N 99 112.398 112.398 105.366 7.032 17850 14292 1 17 . 1 1 99 99 GLY C C 99 173.128 173.128 173.950 -0.822 17850 14293 1 17 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.824 1.905 17850 14294 1 17 . 1 1 99 99 GLY H H 99 10.390 10.390 8.044 2.346 17850 14295 1 17 . 1 1 100 100 LEU N N 100 120.803 120.803 125.155 -4.352 17850 14296 1 17 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.749 0.516 17850 14297 1 17 . 1 1 100 100 LEU C C 100 176.427 176.427 177.238 -0.811 17850 14298 1 17 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.145 -2.369 17850 14299 1 17 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.530 4.671 17850 14300 1 17 . 1 1 100 100 LEU H H 100 7.987 7.987 9.053 -1.066 17850 14301 1 17 . 1 1 101 101 ILE N N 101 125.286 125.286 128.671 -3.385 17850 14302 1 17 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.351 0.371 17850 14303 1 17 . 1 1 101 101 ILE C C 101 175.432 175.432 177.438 -2.006 17850 14304 1 17 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.565 -0.316 17850 14305 1 17 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.414 -0.350 17850 14306 1 17 . 1 1 101 101 ILE H H 101 9.698 9.698 9.126 0.572 17850 14307 1 17 . 1 1 102 102 SER N N 102 123.133 123.133 116.000 7.133 17850 14308 1 17 . 1 1 102 102 SER HA H 102 4.969 4.969 4.220 0.749 17850 14309 1 17 . 1 1 102 102 SER C C 102 175.298 175.298 176.267 -0.969 17850 14310 1 17 . 1 1 102 102 SER CA C 102 55.994 55.994 61.690 -5.696 17850 14311 1 17 . 1 1 102 102 SER CB C 102 66.456 66.456 62.533 3.922 17850 14312 1 17 . 1 1 102 102 SER H H 102 9.095 9.095 8.818 0.277 17850 14313 1 17 . 1 1 103 103 ALA N N 103 122.886 122.886 122.122 0.764 17850 14314 1 17 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.868 0.021 17850 14315 1 17 . 1 1 103 103 ALA C C 103 179.237 179.237 179.836 -0.599 17850 14316 1 17 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.316 0.766 17850 14317 1 17 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.808 0.249 17850 14318 1 17 . 1 1 103 103 ALA H H 103 8.691 8.691 8.613 0.078 17850 14319 1 17 . 1 1 104 104 ALA N N 104 118.317 118.317 120.658 -2.341 17850 14320 1 17 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.703 0.371 17850 14321 1 17 . 1 1 104 104 ALA C C 104 181.451 181.451 179.064 2.387 17850 14322 1 17 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.612 0.673 17850 14323 1 17 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.487 -0.052 17850 14324 1 17 . 1 1 104 104 ALA H H 104 8.392 8.392 8.222 0.170 17850 14325 1 17 . 1 1 105 105 GLU N N 105 120.398 120.398 117.840 2.558 17850 14326 1 17 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.695 -0.635 17850 14327 1 17 . 1 1 105 105 GLU C C 105 179.223 179.223 177.627 1.596 17850 14328 1 17 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.434 0.029 17850 14329 1 17 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.110 -0.959 17850 14330 1 17 . 1 1 105 105 GLU H H 105 7.879 7.879 8.371 -0.492 17850 14331 1 17 . 1 1 106 106 LEU N N 106 120.023 120.023 120.624 -0.601 17850 14332 1 17 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.928 0.235 17850 14333 1 17 . 1 1 106 106 LEU C C 106 178.503 178.503 178.957 -0.454 17850 14334 1 17 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.301 0.388 17850 14335 1 17 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.010 1.277 17850 14336 1 17 . 1 1 106 106 LEU H H 106 8.479 8.479 8.755 -0.276 17850 14337 1 17 . 1 1 107 107 LYS N N 107 117.064 117.064 120.183 -3.119 17850 14338 1 17 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.981 -0.163 17850 14339 1 17 . 1 1 107 107 LYS C C 107 179.039 179.039 178.389 0.650 17850 14340 1 17 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.168 1.140 17850 14341 1 17 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.067 0.823 17850 14342 1 17 . 1 1 107 107 LYS H H 107 8.758 8.758 8.559 0.199 17850 14343 1 17 . 1 1 108 108 HIS N N 108 119.125 119.125 117.591 1.534 17850 14344 1 17 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.521 0.795 17850 14345 1 17 . 1 1 108 108 HIS C C 108 178.394 178.394 177.337 1.057 17850 14346 1 17 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.370 0.817 17850 14347 1 17 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.020 1.472 17850 14348 1 17 . 1 1 108 108 HIS H H 108 8.287 8.287 7.759 0.528 17850 14349 1 17 . 1 1 109 109 VAL N N 109 119.525 119.525 118.565 0.960 17850 14350 1 17 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.759 -0.274 17850 14351 1 17 . 1 1 109 109 VAL C C 109 178.246 178.246 178.143 0.103 17850 14352 1 17 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.346 1.364 17850 14353 1 17 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.881 0.692 17850 14354 1 17 . 1 1 109 109 VAL H H 109 7.915 7.915 8.635 -0.720 17850 14355 1 17 . 1 1 110 110 LEU N N 110 117.403 117.403 119.369 -1.966 17850 14356 1 17 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.632 -0.653 17850 14357 1 17 . 1 1 110 110 LEU C C 110 178.968 178.968 177.426 1.542 17850 14358 1 17 . 1 1 110 110 LEU CA C 110 58.218 58.218 56.920 1.298 17850 14359 1 17 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.827 -1.299 17850 14360 1 17 . 1 1 110 110 LEU H H 110 8.269 8.269 8.199 0.070 17850 14361 1 17 . 1 1 111 111 THR N N 111 114.122 114.122 114.633 -0.511 17850 14362 1 17 . 1 1 111 111 THR HA H 111 4.184 4.184 4.125 0.059 17850 14363 1 17 . 1 1 111 111 THR C C 111 178.534 178.534 174.903 3.631 17850 14364 1 17 . 1 1 111 111 THR CA C 111 66.252 66.252 62.349 3.903 17850 14365 1 17 . 1 1 111 111 THR CB C 111 68.851 68.851 68.391 0.460 17850 14366 1 17 . 1 1 111 111 THR H H 111 8.441 8.441 7.816 0.625 17850 14367 1 17 . 1 1 112 112 SER N N 112 119.981 119.981 107.003 12.978 17850 14368 1 17 . 1 1 112 112 SER HA H 112 4.215 4.215 4.623 -0.408 17850 14369 1 17 . 1 1 112 112 SER C C 112 175.523 175.523 174.674 0.849 17850 14370 1 17 . 1 1 112 112 SER CA C 112 62.197 62.197 57.981 4.216 17850 14371 1 17 . 1 1 112 112 SER CB C 112 62.936 62.936 65.096 -2.160 17850 14372 1 17 . 1 1 112 112 SER H H 112 7.910 7.910 7.208 0.702 17850 14373 1 17 . 1 1 113 113 ILE N N 113 112.726 112.726 119.294 -6.568 17850 14374 1 17 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.845 0.639 17850 14375 1 17 . 1 1 113 113 ILE C C 113 175.636 175.636 175.369 0.267 17850 14376 1 17 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.175 -0.420 17850 14377 1 17 . 1 1 113 113 ILE H H 113 7.473 7.473 7.375 0.098 17850 14378 1 17 . 1 1 114 114 GLY N N 114 108.354 108.354 111.183 -2.829 17850 14379 1 17 . 1 1 114 114 GLY C C 114 174.583 174.583 173.541 1.042 17850 14380 1 17 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.256 0.594 17850 14381 1 17 . 1 1 114 114 GLY H H 114 7.652 7.652 8.230 -0.578 17850 14382 1 17 . 1 1 115 115 GLU N N 115 120.283 120.283 118.128 2.155 17850 14383 1 17 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.705 -0.400 17850 14384 1 17 . 1 1 115 115 GLU C C 115 175.444 175.444 175.070 0.374 17850 14385 1 17 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.501 -0.369 17850 14386 1 17 . 1 1 115 115 GLU CB C 115 30.250 30.250 31.918 -1.668 17850 14387 1 17 . 1 1 115 115 GLU H H 115 8.045 8.045 8.343 -0.298 17850 14388 1 17 . 1 1 116 116 LYS N N 116 124.370 124.370 122.699 1.671 17850 14389 1 17 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.544 -0.122 17850 14390 1 17 . 1 1 116 116 LYS C C 116 175.287 175.287 176.596 -1.309 17850 14391 1 17 . 1 1 116 116 LYS CA C 116 55.635 55.635 54.889 0.746 17850 14392 1 17 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.834 -3.692 17850 14393 1 17 . 1 1 116 116 LYS H H 116 8.571 8.571 8.330 0.241 17850 14394 1 17 . 1 1 117 117 LEU N N 117 125.492 125.492 120.395 5.097 17850 14395 1 17 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.320 0.464 17850 14396 1 17 . 1 1 117 117 LEU C C 117 177.161 177.161 177.440 -0.279 17850 14397 1 17 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.598 0.635 17850 14398 1 17 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.508 1.490 17850 14399 1 17 . 1 1 117 117 LEU H H 117 8.042 8.042 8.114 -0.072 17850 14400 1 17 . 1 1 118 118 THR N N 118 113.255 113.255 117.374 -4.119 17850 14401 1 17 . 1 1 118 118 THR HA H 118 4.497 4.497 4.054 0.443 17850 14402 1 17 . 1 1 118 118 THR C C 118 175.335 175.335 176.498 -1.163 17850 14403 1 17 . 1 1 118 118 THR CA C 118 60.434 60.434 66.502 -6.068 17850 14404 1 17 . 1 1 118 118 THR CB C 118 71.193 71.193 68.582 2.611 17850 14405 1 17 . 1 1 118 118 THR H H 118 8.995 8.995 8.661 0.334 17850 14406 1 17 . 1 1 119 119 ASP N N 119 120.837 120.837 117.386 3.451 17850 14407 1 17 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.565 -0.333 17850 14408 1 17 . 1 1 119 119 ASP C C 119 178.422 178.422 177.737 0.685 17850 14409 1 17 . 1 1 119 119 ASP CA C 119 58.097 58.097 55.999 2.098 17850 14410 1 17 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.322 -0.347 17850 14411 1 17 . 1 1 119 119 ASP H H 119 8.743 8.743 8.289 0.454 17850 14412 1 17 . 1 1 120 120 ALA N N 120 121.309 121.309 121.962 -0.653 17850 14413 1 17 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.179 -0.013 17850 14414 1 17 . 1 1 120 120 ALA C C 120 179.796 179.796 180.043 -0.247 17850 14415 1 17 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.256 0.772 17850 14416 1 17 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.074 -0.754 17850 14417 1 17 . 1 1 120 120 ALA H H 120 8.304 8.304 7.565 0.739 17850 14418 1 17 . 1 1 121 121 GLU N N 121 118.068 118.068 120.601 -2.533 17850 14419 1 17 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.971 0.086 17850 14420 1 17 . 1 1 121 121 GLU C C 121 180.035 180.035 177.418 2.617 17850 14421 1 17 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.651 -1.413 17850 14422 1 17 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.857 0.572 17850 14423 1 17 . 1 1 121 121 GLU H H 121 7.705 7.705 8.740 -1.035 17850 14424 1 17 . 1 1 122 122 VAL N N 122 120.636 120.636 117.000 3.636 17850 14425 1 17 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.805 -0.268 17850 14426 1 17 . 1 1 122 122 VAL C C 122 177.120 177.120 177.195 -0.075 17850 14427 1 17 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.740 1.302 17850 14428 1 17 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.820 -0.428 17850 14429 1 17 . 1 1 122 122 VAL H H 122 7.935 7.935 7.728 0.207 17850 14430 1 17 . 1 1 123 123 ASP N N 123 120.336 120.336 118.726 1.610 17850 14431 1 17 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.534 -0.231 17850 14432 1 17 . 1 1 123 123 ASP C C 123 179.023 179.023 177.871 1.152 17850 14433 1 17 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.040 1.903 17850 14434 1 17 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.375 -0.704 17850 14435 1 17 . 1 1 123 123 ASP H H 123 8.204 8.204 7.787 0.417 17850 14436 1 17 . 1 1 124 124 ASP N N 124 118.890 118.890 121.518 -2.628 17850 14437 1 17 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.489 -0.149 17850 14438 1 17 . 1 1 124 124 ASP C C 124 178.527 178.527 178.132 0.395 17850 14439 1 17 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.088 0.435 17850 14440 1 17 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.898 -0.078 17850 14441 1 17 . 1 1 124 124 ASP H H 124 8.272 8.272 8.053 0.219 17850 14442 1 17 . 1 1 125 125 MET N N 125 119.365 119.365 115.811 3.554 17850 14443 1 17 . 1 1 125 125 MET HA H 125 4.091 4.091 4.242 -0.151 17850 14444 1 17 . 1 1 125 125 MET C C 125 178.021 178.021 178.622 -0.601 17850 14445 1 17 . 1 1 125 125 MET CA C 125 59.205 59.205 57.436 1.769 17850 14446 1 17 . 1 1 125 125 MET CB C 125 33.281 33.281 30.875 2.406 17850 14447 1 17 . 1 1 125 125 MET H H 125 7.750 7.750 8.264 -0.514 17850 14448 1 17 . 1 1 126 126 LEU N N 126 117.193 117.193 118.684 -1.491 17850 14449 1 17 . 1 1 126 126 LEU HA H 126 3.924 3.924 4.016 -0.092 17850 14450 1 17 . 1 1 126 126 LEU C C 126 180.267 180.267 179.931 0.336 17850 14451 1 17 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.815 -0.013 17850 14452 1 17 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.399 0.215 17850 14453 1 17 . 1 1 126 126 LEU H H 126 8.152 8.152 7.592 0.560 17850 14454 1 17 . 1 1 127 127 ARG N N 127 120.792 120.792 118.591 2.201 17850 14455 1 17 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.073 -0.032 17850 14456 1 17 . 1 1 127 127 ARG C C 127 178.027 178.027 177.850 0.177 17850 14457 1 17 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.562 0.719 17850 14458 1 17 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.374 -0.375 17850 14459 1 17 . 1 1 127 127 ARG H H 127 8.335 8.335 7.687 0.648 17850 14460 1 17 . 1 1 128 128 GLU N N 128 117.142 117.142 110.672 6.470 17850 14461 1 17 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.637 -0.531 17850 14462 1 17 . 1 1 128 128 GLU C C 128 178.618 178.618 175.854 2.764 17850 14463 1 17 . 1 1 128 128 GLU CA C 128 59.205 59.205 56.146 3.059 17850 14464 1 17 . 1 1 128 128 GLU CB C 128 30.394 30.394 31.202 -0.808 17850 14465 1 17 . 1 1 128 128 GLU H H 128 7.667 7.667 8.182 -0.515 17850 14466 1 17 . 1 1 129 129 VAL N N 129 108.345 108.345 119.227 -10.882 17850 14467 1 17 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.149 0.338 17850 14468 1 17 . 1 1 129 129 VAL C C 129 175.591 175.591 176.616 -1.025 17850 14469 1 17 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.249 -0.586 17850 14470 1 17 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.948 0.061 17850 14471 1 17 . 1 1 129 129 VAL H H 129 7.470 7.470 7.909 -0.439 17850 14472 1 17 . 1 1 130 130 SER N N 130 115.012 115.012 117.865 -2.853 17850 14473 1 17 . 1 1 130 130 SER HA H 130 4.670 4.670 4.113 0.557 17850 14474 1 17 . 1 1 130 130 SER C C 130 174.414 174.414 174.267 0.147 17850 14475 1 17 . 1 1 130 130 SER CA C 130 58.067 58.067 59.470 -1.403 17850 14476 1 17 . 1 1 130 130 SER CB C 130 65.814 65.814 61.755 4.059 17850 14477 1 17 . 1 1 130 130 SER H H 130 7.858 7.858 7.950 -0.092 17850 14478 1 17 . 1 1 131 131 ASP N N 131 120.972 120.972 116.247 4.725 17850 14479 1 17 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.221 0.345 17850 14480 1 17 . 1 1 131 131 ASP C C 131 176.676 176.676 175.680 0.996 17850 14481 1 17 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.876 -0.093 17850 14482 1 17 . 1 1 131 131 ASP H H 131 8.478 8.478 8.092 0.386 17850 14483 1 17 . 1 1 132 132 GLY N N 132 105.512 105.512 109.131 -3.619 17850 14484 1 17 . 1 1 132 132 GLY C C 132 174.924 174.924 175.283 -0.359 17850 14485 1 17 . 1 1 132 132 GLY CA C 132 45.670 45.670 45.460 0.210 17850 14486 1 17 . 1 1 132 132 GLY H H 132 8.352 8.352 8.018 0.334 17850 14487 1 17 . 1 1 133 133 SER N N 133 116.718 116.718 114.147 2.571 17850 14488 1 17 . 1 1 133 133 SER HA H 133 4.435 4.435 4.516 -0.081 17850 14489 1 17 . 1 1 133 133 SER C C 133 175.404 175.404 173.207 2.197 17850 14490 1 17 . 1 1 133 133 SER CA C 133 59.340 59.340 57.962 1.378 17850 14491 1 17 . 1 1 133 133 SER H H 133 8.104 8.104 8.503 -0.399 17850 14492 1 17 . 1 1 134 134 GLY N N 134 109.601 109.601 107.846 1.755 17850 14493 1 17 . 1 1 134 134 GLY C C 134 172.547 172.547 172.482 0.065 17850 14494 1 17 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.238 2.585 17850 14495 1 17 . 1 1 134 134 GLY H H 134 8.555 8.555 7.400 1.155 17850 14496 1 17 . 1 1 135 135 GLU N N 135 117.166 117.166 113.207 3.959 17850 14497 1 17 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.820 0.207 17850 14498 1 17 . 1 1 135 135 GLU C C 135 175.280 175.280 174.404 0.876 17850 14499 1 17 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.880 -0.145 17850 14500 1 17 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.049 0.825 17850 14501 1 17 . 1 1 135 135 GLU H H 135 7.641 7.641 8.723 -1.082 17850 14502 1 17 . 1 1 136 136 ILE N N 136 114.256 114.256 125.320 -11.064 17850 14503 1 17 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.851 0.225 17850 14504 1 17 . 1 1 136 136 ILE C C 136 175.228 175.228 177.273 -2.045 17850 14505 1 17 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.839 -0.441 17850 14506 1 17 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.456 2.196 17850 14507 1 17 . 1 1 136 136 ILE H H 136 8.565 8.565 8.148 0.417 17850 14508 1 17 . 1 1 137 137 ASN N N 137 121.842 121.842 118.323 3.519 17850 14509 1 17 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.544 1.721 17850 14510 1 17 . 1 1 137 137 ASN C C 137 176.835 176.835 176.453 0.382 17850 14511 1 17 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.986 -3.959 17850 14512 1 17 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.725 1.988 17850 14513 1 17 . 1 1 137 137 ASN H H 137 8.767 8.767 8.201 0.566 17850 14514 1 17 . 1 1 138 138 ILE N N 138 118.075 118.075 118.665 -0.590 17850 14515 1 17 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.843 -0.091 17850 14516 1 17 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.492 0.280 17850 14517 1 17 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.763 0.790 17850 14518 1 17 . 1 1 138 138 ILE H H 138 8.418 8.418 8.377 0.041 17850 14519 1 17 . 1 1 139 139 GLN N N 139 122.926 122.926 119.833 3.093 17850 14520 1 17 . 1 1 139 139 GLN HA H 139 4.126 4.126 3.996 0.130 17850 14521 1 17 . 1 1 139 139 GLN C C 139 179.886 179.886 178.542 1.344 17850 14522 1 17 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.877 0.709 17850 14523 1 17 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.440 -0.655 17850 14524 1 17 . 1 1 139 139 GLN H H 139 7.632 7.632 8.004 -0.372 17850 14525 1 17 . 1 1 140 140 GLN N N 140 121.813 121.813 119.702 2.111 17850 14526 1 17 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.782 0.379 17850 14527 1 17 . 1 1 140 140 GLN C C 140 178.284 178.284 177.646 0.638 17850 14528 1 17 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.883 -0.667 17850 14529 1 17 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.539 -0.101 17850 14530 1 17 . 1 1 140 140 GLN H H 140 8.416 8.416 8.767 -0.351 17850 14531 1 17 . 1 1 141 141 PHE N N 141 121.732 121.732 117.861 3.871 17850 14532 1 17 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.810 0.342 17850 14533 1 17 . 1 1 141 141 PHE C C 141 176.273 176.273 176.943 -0.670 17850 14534 1 17 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.406 0.554 17850 14535 1 17 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.787 2.274 17850 14536 1 17 . 1 1 141 141 PHE H H 141 9.030 9.030 7.933 1.097 17850 14537 1 17 . 1 1 142 142 ALA N N 142 119.852 119.852 121.181 -1.329 17850 14538 1 17 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.971 -0.168 17850 14539 1 17 . 1 1 142 142 ALA C C 142 180.733 180.733 179.882 0.851 17850 14540 1 17 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.467 0.744 17850 14541 1 17 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.140 -0.238 17850 14542 1 17 . 1 1 142 142 ALA H H 142 8.399 8.399 7.855 0.544 17850 14543 1 17 . 1 1 143 143 ALA N N 143 120.555 120.555 119.618 0.937 17850 14544 1 17 . 1 1 143 143 ALA HA H 143 4.114 4.114 4.080 0.034 17850 14545 1 17 . 1 1 143 143 ALA C C 143 180.455 180.455 179.784 0.671 17850 14546 1 17 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.043 -0.030 17850 14547 1 17 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.095 -1.246 17850 14548 1 17 . 1 1 143 143 ALA H H 143 7.627 7.627 7.321 0.306 17850 14549 1 17 . 1 1 144 144 LEU N N 144 121.054 121.054 113.773 7.281 17850 14550 1 17 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.059 -0.126 17850 14551 1 17 . 1 1 144 144 LEU C C 144 177.756 177.756 176.889 0.867 17850 14552 1 17 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.956 1.740 17850 14553 1 17 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.742 0.096 17850 14554 1 17 . 1 1 144 144 LEU H H 144 8.029 8.029 7.420 0.609 17850 14555 1 17 . 1 1 145 145 LEU N N 145 115.288 115.288 118.414 -3.126 17850 14556 1 17 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.433 -0.460 17850 14557 1 17 . 1 1 145 145 LEU C C 145 177.284 177.284 175.430 1.854 17850 14558 1 17 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.439 0.845 17850 14559 1 17 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.454 -0.844 17850 14560 1 17 . 1 1 145 145 LEU H H 145 7.309 7.309 7.203 0.106 17850 14561 1 17 . 1 1 146 146 SER N N 146 114.503 114.503 115.959 -1.456 17850 14562 1 17 . 1 1 146 146 SER HA H 146 4.346 4.346 4.504 -0.158 17850 14563 1 17 . 1 1 146 146 SER C C 146 175.125 175.125 172.359 2.766 17850 14564 1 17 . 1 1 146 146 SER CA C 146 59.046 59.046 58.748 0.298 17850 14565 1 17 . 1 1 146 146 SER CB C 146 64.181 64.181 65.532 -1.351 17850 14566 1 17 . 1 1 146 146 SER H H 146 7.506 7.506 7.642 -0.136 17850 14567 1 17 . 1 1 147 147 LYS N N 147 123.315 123.315 123.969 -0.654 17850 14568 1 17 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.415 -0.248 17850 14569 1 17 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.431 1.251 17850 14570 1 17 . 1 1 147 147 LYS H H 147 8.329 8.329 8.112 0.217 17850 14571 1 17 . 1 1 148 148 GLY N N 148 108.566 108.566 111.619 -3.053 17850 14572 1 17 . 1 1 148 148 GLY C C 148 174.394 174.394 175.183 -0.789 17850 14573 1 17 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.131 0.397 17850 14574 1 17 . 1 1 148 148 GLY H H 148 8.353 8.353 8.053 0.300 17850 14575 1 17 . 1 1 149 149 SER N N 149 115.356 115.356 117.143 -1.787 17850 14576 1 17 . 1 1 149 149 SER HA H 149 4.484 4.484 4.232 0.252 17850 14577 1 17 . 1 1 149 149 SER C C 149 175.038 175.038 174.621 0.417 17850 14578 1 17 . 1 1 149 149 SER CA C 149 58.418 58.418 59.290 -0.872 17850 14579 1 17 . 1 1 149 149 SER CB C 149 64.171 64.171 62.439 1.732 17850 14580 1 17 . 1 1 149 149 SER H H 149 7.993 7.993 8.741 -0.748 17850 14581 1 17 . 1 1 150 150 SER N N 150 118.028 118.028 114.765 3.263 17850 14582 1 17 . 1 1 150 150 SER HA H 150 4.490 4.490 4.391 0.099 17850 14583 1 17 . 1 1 150 150 SER C C 150 175.034 175.034 174.686 0.348 17850 14584 1 17 . 1 1 150 150 SER CA C 150 59.029 59.029 58.233 0.796 17850 14585 1 17 . 1 1 150 150 SER CB C 150 63.407 63.407 64.498 -1.091 17850 14586 1 17 . 1 1 150 150 SER H H 150 8.530 8.530 8.481 0.049 17850 14587 1 18 . 1 1 1 1 GLY N N 1 109.911 109.911 110.005 -0.094 17850 14588 1 18 . 1 1 1 1 GLY CA C 1 45.436 45.436 45.626 -0.190 17850 14589 1 18 . 1 1 1 1 GLY H H 1 8.410 8.410 8.264 0.146 17850 14590 1 18 . 1 1 2 2 SER N N 2 115.579 115.579 119.007 -3.428 17850 14591 1 18 . 1 1 2 2 SER HA H 2 4.474 4.474 4.642 -0.168 17850 14592 1 18 . 1 1 2 2 SER C C 2 174.661 174.661 173.508 1.153 17850 14593 1 18 . 1 1 2 2 SER CA C 2 58.374 58.374 58.300 0.074 17850 14594 1 18 . 1 1 2 2 SER CB C 2 63.986 63.986 66.070 -2.084 17850 14595 1 18 . 1 1 2 2 SER H H 2 8.207 8.207 8.225 -0.018 17850 14596 1 18 . 1 1 3 3 SER N N 3 117.154 117.154 116.873 0.281 17850 14597 1 18 . 1 1 3 3 SER HA H 3 4.439 4.439 4.677 -0.238 17850 14598 1 18 . 1 1 3 3 SER C C 3 174.122 174.122 173.283 0.839 17850 14599 1 18 . 1 1 3 3 SER CA C 3 58.695 58.695 58.226 0.469 17850 14600 1 18 . 1 1 3 3 SER CB C 3 63.865 63.865 64.304 -0.439 17850 14601 1 18 . 1 1 3 3 SER H H 3 8.337 8.337 8.515 -0.178 17850 14602 1 18 . 1 1 4 4 ASN N N 4 120.145 120.145 118.900 1.245 17850 14603 1 18 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.010 -0.284 17850 14604 1 18 . 1 1 4 4 ASN C C 4 174.741 174.741 175.264 -0.523 17850 14605 1 18 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.772 0.554 17850 14606 1 18 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.327 -0.525 17850 14607 1 18 . 1 1 4 4 ASN H H 4 8.432 8.432 7.776 0.656 17850 14608 1 18 . 1 1 5 5 LEU N N 5 121.341 121.341 117.990 3.351 17850 14609 1 18 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.542 0.137 17850 14610 1 18 . 1 1 5 5 LEU C C 5 177.641 177.641 177.633 0.008 17850 14611 1 18 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.629 1.836 17850 14612 1 18 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.791 -1.077 17850 14613 1 18 . 1 1 5 5 LEU H H 5 7.966 7.966 7.910 0.056 17850 14614 1 18 . 1 1 6 6 THR N N 6 113.168 113.168 116.851 -3.683 17850 14615 1 18 . 1 1 6 6 THR HA H 6 4.470 4.470 3.911 0.559 17850 14616 1 18 . 1 1 6 6 THR C C 6 175.390 175.390 176.452 -1.062 17850 14617 1 18 . 1 1 6 6 THR CA C 6 60.543 60.543 65.519 -4.976 17850 14618 1 18 . 1 1 6 6 THR CB C 6 71.190 71.190 68.377 2.813 17850 14619 1 18 . 1 1 6 6 THR H H 6 8.716 8.716 8.844 -0.128 17850 14620 1 18 . 1 1 7 7 GLU N N 7 120.480 120.480 119.586 0.894 17850 14621 1 18 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.088 -0.103 17850 14622 1 18 . 1 1 7 7 GLU C C 7 179.475 179.475 179.425 0.050 17850 14623 1 18 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.891 1.182 17850 14624 1 18 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.421 -0.128 17850 14625 1 18 . 1 1 7 7 GLU H H 7 8.997 8.997 7.809 1.188 17850 14626 1 18 . 1 1 8 8 GLU N N 8 119.766 119.766 119.577 0.189 17850 14627 1 18 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.052 0.035 17850 14628 1 18 . 1 1 8 8 GLU C C 8 178.641 178.641 179.243 -0.602 17850 14629 1 18 . 1 1 8 8 GLU CA C 8 59.835 59.835 59.228 0.607 17850 14630 1 18 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.428 -0.030 17850 14631 1 18 . 1 1 8 8 GLU H H 8 8.603 8.603 7.718 0.885 17850 14632 1 18 . 1 1 9 9 GLN N N 9 119.234 119.234 116.680 2.554 17850 14633 1 18 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.406 -0.477 17850 14634 1 18 . 1 1 9 9 GLN C C 9 178.969 178.969 178.133 0.836 17850 14635 1 18 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.224 2.494 17850 14636 1 18 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.701 2.881 17850 14637 1 18 . 1 1 9 9 GLN H H 9 7.730 7.730 8.253 -0.523 17850 14638 1 18 . 1 1 10 10 ILE N N 10 119.661 119.661 118.438 1.223 17850 14639 1 18 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.112 -0.349 17850 14640 1 18 . 1 1 10 10 ILE C C 10 178.040 178.040 177.707 0.333 17850 14641 1 18 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.696 2.525 17850 14642 1 18 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.535 0.417 17850 14643 1 18 . 1 1 10 10 ILE H H 10 8.398 8.398 8.250 0.148 17850 14644 1 18 . 1 1 11 11 ALA N N 11 121.678 121.678 122.898 -1.220 17850 14645 1 18 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.065 0.068 17850 14646 1 18 . 1 1 11 11 ALA C C 11 181.140 181.140 179.982 1.158 17850 14647 1 18 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.235 1.219 17850 14648 1 18 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.547 -0.635 17850 14649 1 18 . 1 1 11 11 ALA H H 11 8.037 8.037 7.561 0.476 17850 14650 1 18 . 1 1 12 12 GLU N N 12 118.175 118.175 118.469 -0.294 17850 14651 1 18 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.172 -0.054 17850 14652 1 18 . 1 1 12 12 GLU C C 12 180.185 180.185 178.994 1.191 17850 14653 1 18 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.730 -0.535 17850 14654 1 18 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.780 0.598 17850 14655 1 18 . 1 1 12 12 GLU H H 12 7.869 7.869 7.462 0.407 17850 14656 1 18 . 1 1 13 13 PHE N N 13 119.011 119.011 119.054 -0.043 17850 14657 1 18 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.032 0.858 17850 14658 1 18 . 1 1 13 13 PHE C C 13 178.486 178.486 178.229 0.257 17850 14659 1 18 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.636 -1.187 17850 14660 1 18 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.298 0.601 17850 14661 1 18 . 1 1 13 13 PHE H H 13 8.429 8.429 7.959 0.470 17850 14662 1 18 . 1 1 14 14 LYS N N 14 123.459 123.459 118.691 4.768 17850 14663 1 18 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.054 -0.022 17850 14664 1 18 . 1 1 14 14 LYS C C 14 179.131 179.131 178.934 0.197 17850 14665 1 18 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.026 1.464 17850 14666 1 18 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.274 -0.361 17850 14667 1 18 . 1 1 14 14 LYS H H 14 8.925 8.925 8.457 0.468 17850 14668 1 18 . 1 1 15 15 GLU N N 15 119.581 119.581 116.939 2.642 17850 14669 1 18 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.369 -0.201 17850 14670 1 18 . 1 1 15 15 GLU C C 15 179.163 179.163 177.406 1.757 17850 14671 1 18 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.762 0.623 17850 14672 1 18 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.635 -0.248 17850 14673 1 18 . 1 1 15 15 GLU H H 15 8.064 8.064 7.943 0.121 17850 14674 1 18 . 1 1 16 16 ALA N N 16 120.993 120.993 122.064 -1.071 17850 14675 1 18 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.397 0.845 17850 14676 1 18 . 1 1 16 16 ALA C C 16 177.628 177.628 178.082 -0.454 17850 14677 1 18 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.784 2.401 17850 14678 1 18 . 1 1 16 16 ALA CB C 16 17.924 17.924 20.032 -2.108 17850 14679 1 18 . 1 1 16 16 ALA H H 16 7.801 7.801 7.732 0.069 17850 14680 1 18 . 1 1 17 17 PHE N N 17 118.745 118.745 120.101 -1.356 17850 14681 1 18 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.552 -1.198 17850 14682 1 18 . 1 1 17 17 PHE C C 17 177.500 177.500 177.072 0.428 17850 14683 1 18 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.077 1.623 17850 14684 1 18 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.114 1.864 17850 14685 1 18 . 1 1 17 17 PHE H H 17 8.469 8.469 8.032 0.437 17850 14686 1 18 . 1 1 18 18 ALA N N 18 119.942 119.942 118.264 1.678 17850 14687 1 18 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.665 0.345 17850 14688 1 18 . 1 1 18 18 ALA C C 18 178.535 178.535 178.570 -0.035 17850 14689 1 18 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.338 0.078 17850 14690 1 18 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.191 0.296 17850 14691 1 18 . 1 1 18 18 ALA H H 18 8.187 8.187 7.143 1.044 17850 14692 1 18 . 1 1 19 19 LEU N N 19 116.851 116.851 114.539 2.312 17850 14693 1 18 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.303 -0.343 17850 14694 1 18 . 1 1 19 19 LEU C C 19 176.795 176.795 177.597 -0.802 17850 14695 1 18 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.480 2.955 17850 14696 1 18 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.911 -1.229 17850 14697 1 18 . 1 1 19 19 LEU H H 19 7.254 7.254 7.343 -0.089 17850 14698 1 18 . 1 1 20 20 PHE N N 20 111.977 111.977 120.971 -8.994 17850 14699 1 18 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.162 0.097 17850 14700 1 18 . 1 1 20 20 PHE C C 20 177.033 177.033 176.550 0.483 17850 14701 1 18 . 1 1 20 20 PHE CA C 20 58.656 58.656 58.774 -0.118 17850 14702 1 18 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.547 4.617 17850 14703 1 18 . 1 1 20 20 PHE H H 20 7.041 7.041 7.956 -0.915 17850 14704 1 18 . 1 1 21 21 ASP N N 21 116.981 116.981 124.629 -7.648 17850 14705 1 18 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.377 0.208 17850 14706 1 18 . 1 1 21 21 ASP C C 21 177.297 177.297 177.461 -0.164 17850 14707 1 18 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.060 -3.389 17850 14708 1 18 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.346 -1.344 17850 14709 1 18 . 1 1 21 21 ASP H H 21 7.567 7.567 8.188 -0.621 17850 14710 1 18 . 1 1 22 22 LYS N N 22 124.748 124.748 115.814 8.934 17850 14711 1 18 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.150 -0.158 17850 14712 1 18 . 1 1 22 22 LYS C C 22 177.866 177.866 176.208 1.658 17850 14713 1 18 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.541 1.692 17850 14714 1 18 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.318 0.309 17850 14715 1 18 . 1 1 22 22 LYS H H 22 7.820 7.820 8.199 -0.379 17850 14716 1 18 . 1 1 23 23 ASP N N 23 114.211 114.211 117.429 -3.218 17850 14717 1 18 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.457 0.146 17850 14718 1 18 . 1 1 23 23 ASP C C 23 176.266 176.266 175.594 0.672 17850 14719 1 18 . 1 1 23 23 ASP CA C 23 52.647 52.647 55.216 -2.569 17850 14720 1 18 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.416 -0.133 17850 14721 1 18 . 1 1 23 23 ASP H H 23 8.025 8.025 8.380 -0.355 17850 14722 1 18 . 1 1 24 24 ASN N N 24 115.587 115.587 116.889 -1.302 17850 14723 1 18 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.752 -0.363 17850 14724 1 18 . 1 1 24 24 ASN C C 24 174.828 174.828 176.526 -1.698 17850 14725 1 18 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.233 1.274 17850 14726 1 18 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.868 -0.837 17850 14727 1 18 . 1 1 24 24 ASN H H 24 7.962 7.962 8.073 -0.111 17850 14728 1 18 . 1 1 25 25 ASN N N 25 117.385 117.385 117.301 0.084 17850 14729 1 18 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.606 0.242 17850 14730 1 18 . 1 1 25 25 ASN C C 25 177.553 177.553 174.271 3.282 17850 14731 1 18 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.011 -0.696 17850 14732 1 18 . 1 1 25 25 ASN H H 25 8.489 8.489 8.018 0.471 17850 14733 1 18 . 1 1 26 26 GLY N N 26 113.934 113.934 107.399 6.535 17850 14734 1 18 . 1 1 26 26 GLY C C 26 173.371 173.371 173.665 -0.294 17850 14735 1 18 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.375 0.163 17850 14736 1 18 . 1 1 26 26 GLY H H 26 10.580 10.580 8.464 2.116 17850 14737 1 18 . 1 1 27 27 SER N N 27 113.842 113.842 121.931 -8.089 17850 14738 1 18 . 1 1 27 27 SER HA H 27 5.358 5.358 4.592 0.766 17850 14739 1 18 . 1 1 27 27 SER C C 27 172.645 172.645 174.945 -2.300 17850 14740 1 18 . 1 1 27 27 SER CA C 27 57.474 57.474 57.662 -0.188 17850 14741 1 18 . 1 1 27 27 SER CB C 27 66.576 66.576 63.315 3.261 17850 14742 1 18 . 1 1 27 27 SER H H 27 7.793 7.793 9.093 -1.300 17850 14743 1 18 . 1 1 28 28 ILE N N 28 127.597 127.597 128.071 -0.474 17850 14744 1 18 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.253 0.572 17850 14745 1 18 . 1 1 28 28 ILE C C 28 175.890 175.890 177.218 -1.328 17850 14746 1 18 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.117 0.059 17850 14747 1 18 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.818 -0.724 17850 14748 1 18 . 1 1 28 28 ILE H H 28 9.787 9.787 9.110 0.677 17850 14749 1 18 . 1 1 29 29 SER N N 29 124.860 124.860 117.976 6.884 17850 14750 1 18 . 1 1 29 29 SER HA H 29 4.813 4.813 4.047 0.766 17850 14751 1 18 . 1 1 29 29 SER C C 29 175.477 175.477 176.829 -1.352 17850 14752 1 18 . 1 1 29 29 SER CA C 29 56.583 56.583 60.839 -4.256 17850 14753 1 18 . 1 1 29 29 SER CB C 29 66.269 66.269 62.950 3.320 17850 14754 1 18 . 1 1 29 29 SER H H 29 9.320 9.320 8.597 0.723 17850 14755 1 18 . 1 1 30 30 SER N N 30 117.383 117.383 116.334 1.049 17850 14756 1 18 . 1 1 30 30 SER HA H 30 4.141 4.141 4.377 -0.236 17850 14757 1 18 . 1 1 30 30 SER C C 30 176.531 176.531 175.563 0.968 17850 14758 1 18 . 1 1 30 30 SER CA C 30 62.690 62.690 60.499 2.191 17850 14759 1 18 . 1 1 30 30 SER CB C 30 62.264 62.264 63.117 -0.853 17850 14760 1 18 . 1 1 30 30 SER H H 30 9.554 9.554 7.901 1.653 17850 14761 1 18 . 1 1 31 31 SER N N 31 116.232 116.232 115.778 0.454 17850 14762 1 18 . 1 1 31 31 SER HA H 31 4.309 4.309 4.365 -0.056 17850 14763 1 18 . 1 1 31 31 SER C C 31 178.017 178.017 176.335 1.682 17850 14764 1 18 . 1 1 31 31 SER CA C 31 61.332 61.332 59.618 1.714 17850 14765 1 18 . 1 1 31 31 SER CB C 31 62.512 62.512 63.724 -1.212 17850 14766 1 18 . 1 1 31 31 SER H H 31 8.141 8.141 7.968 0.173 17850 14767 1 18 . 1 1 32 32 GLU N N 32 125.663 125.663 119.589 6.074 17850 14768 1 18 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.098 -0.045 17850 14769 1 18 . 1 1 32 32 GLU C C 32 179.222 179.222 178.493 0.729 17850 14770 1 18 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.527 0.172 17850 14771 1 18 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.658 -0.406 17850 14772 1 18 . 1 1 32 32 GLU H H 32 7.947 7.947 8.504 -0.557 17850 14773 1 18 . 1 1 33 33 LEU N N 33 120.624 120.624 118.722 1.902 17850 14774 1 18 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.056 0.112 17850 14775 1 18 . 1 1 33 33 LEU C C 33 178.493 178.493 178.381 0.112 17850 14776 1 18 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.371 1.536 17850 14777 1 18 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.056 1.262 17850 14778 1 18 . 1 1 33 33 LEU H H 33 8.424 8.424 7.933 0.491 17850 14779 1 18 . 1 1 34 34 ALA N N 34 119.635 119.635 120.203 -0.568 17850 14780 1 18 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.068 -0.244 17850 14781 1 18 . 1 1 34 34 ALA C C 34 179.360 179.360 178.724 0.636 17850 14782 1 18 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.797 -0.201 17850 14783 1 18 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.860 -0.183 17850 14784 1 18 . 1 1 34 34 ALA H H 34 8.410 8.410 8.085 0.325 17850 14785 1 18 . 1 1 35 35 THR N N 35 114.602 114.602 115.448 -0.846 17850 14786 1 18 . 1 1 35 35 THR HA H 35 3.886 3.886 4.059 -0.173 17850 14787 1 18 . 1 1 35 35 THR C C 35 177.278 177.278 175.699 1.579 17850 14788 1 18 . 1 1 35 35 THR CA C 35 67.317 67.317 65.062 2.255 17850 14789 1 18 . 1 1 35 35 THR CB C 35 68.774 68.774 69.403 -0.629 17850 14790 1 18 . 1 1 35 35 THR H H 35 8.263 8.263 7.876 0.387 17850 14791 1 18 . 1 1 36 36 VAL N N 36 122.295 122.295 118.916 3.379 17850 14792 1 18 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.540 0.065 17850 14793 1 18 . 1 1 36 36 VAL C C 36 178.653 178.653 178.338 0.315 17850 14794 1 18 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.990 -0.252 17850 14795 1 18 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.253 0.050 17850 14796 1 18 . 1 1 36 36 VAL H H 36 7.790 7.790 7.596 0.194 17850 14797 1 18 . 1 1 37 37 MET N N 37 117.677 117.677 117.189 0.488 17850 14798 1 18 . 1 1 37 37 MET HA H 37 3.642 3.642 4.347 -0.705 17850 14799 1 18 . 1 1 37 37 MET C C 37 178.172 178.172 179.213 -1.041 17850 14800 1 18 . 1 1 37 37 MET CA C 37 60.506 60.506 58.215 2.291 17850 14801 1 18 . 1 1 37 37 MET CB C 37 32.347 32.347 31.639 0.708 17850 14802 1 18 . 1 1 37 37 MET H H 37 8.081 8.081 8.059 0.022 17850 14803 1 18 . 1 1 38 38 ARG N N 38 118.309 118.309 118.224 0.085 17850 14804 1 18 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.067 0.621 17850 14805 1 18 . 1 1 38 38 ARG C C 38 181.486 181.486 177.448 4.038 17850 14806 1 18 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.475 0.626 17850 14807 1 18 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.940 0.072 17850 14808 1 18 . 1 1 38 38 ARG H H 38 8.547 8.547 7.560 0.987 17850 14809 1 18 . 1 1 39 39 SER N N 39 119.250 119.250 111.775 7.475 17850 14810 1 18 . 1 1 39 39 SER HA H 39 4.301 4.301 4.252 0.049 17850 14811 1 18 . 1 1 39 39 SER C C 39 174.899 174.899 174.581 0.318 17850 14812 1 18 . 1 1 39 39 SER CA C 39 61.925 61.925 58.828 3.097 17850 14813 1 18 . 1 1 39 39 SER CB C 39 62.773 62.773 63.601 -0.828 17850 14814 1 18 . 1 1 39 39 SER H H 39 8.226 8.226 7.656 0.570 17850 14815 1 18 . 1 1 40 40 LEU N N 40 119.516 119.516 116.757 2.759 17850 14816 1 18 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.055 0.215 17850 14817 1 18 . 1 1 40 40 LEU C C 40 176.681 176.681 176.539 0.142 17850 14818 1 18 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.267 0.316 17850 14819 1 18 . 1 1 40 40 LEU H H 40 7.343 7.343 7.683 -0.340 17850 14820 1 18 . 1 1 41 41 GLY N N 41 105.983 105.983 108.500 -2.517 17850 14821 1 18 . 1 1 41 41 GLY C C 41 174.471 174.471 175.171 -0.700 17850 14822 1 18 . 1 1 41 41 GLY CA C 41 45.239 45.239 45.096 0.143 17850 14823 1 18 . 1 1 41 41 GLY H H 41 7.858 7.858 8.178 -0.320 17850 14824 1 18 . 1 1 42 42 LEU N N 42 120.442 120.442 119.494 0.948 17850 14825 1 18 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.585 -0.114 17850 14826 1 18 . 1 1 42 42 LEU C C 42 175.965 175.965 174.482 1.483 17850 14827 1 18 . 1 1 42 42 LEU CA C 42 54.245 54.245 53.878 0.367 17850 14828 1 18 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.377 0.154 17850 14829 1 18 . 1 1 42 42 LEU H H 42 7.707 7.707 8.319 -0.612 17850 14830 1 18 . 1 1 43 43 SER HA H 43 4.798 4.798 4.737 0.061 17850 14831 1 18 . 1 1 43 43 SER CA C 43 54.912 54.912 57.422 -2.510 17850 14832 1 18 . 1 1 43 43 SER CB C 43 63.197 63.197 63.288 -0.090 17850 14833 1 18 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.538 0.254 17850 14834 1 18 . 1 1 44 44 PRO CA C 44 61.881 61.881 61.969 -0.088 17850 14835 1 18 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.614 -1.414 17850 14836 1 18 . 1 1 45 45 SER N N 45 119.898 119.898 121.922 -2.024 17850 14837 1 18 . 1 1 45 45 SER HA H 45 4.611 4.611 4.039 0.572 17850 14838 1 18 . 1 1 45 45 SER C C 45 174.913 174.913 176.266 -1.353 17850 14839 1 18 . 1 1 45 45 SER CA C 45 56.689 56.689 61.544 -4.856 17850 14840 1 18 . 1 1 45 45 SER CB C 45 65.502 65.502 63.190 2.312 17850 14841 1 18 . 1 1 45 45 SER H H 45 9.387 9.387 9.127 0.260 17850 14842 1 18 . 1 1 46 46 GLU N N 46 121.468 121.468 118.061 3.407 17850 14843 1 18 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.183 -0.244 17850 14844 1 18 . 1 1 46 46 GLU C C 46 179.002 179.002 178.844 0.158 17850 14845 1 18 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.298 0.837 17850 14846 1 18 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.791 0.555 17850 14847 1 18 . 1 1 46 46 GLU H H 46 8.913 8.913 8.532 0.381 17850 14848 1 18 . 1 1 47 47 ALA N N 47 121.115 121.115 121.400 -0.285 17850 14849 1 18 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.127 0.025 17850 14850 1 18 . 1 1 47 47 ALA C C 47 179.962 179.962 180.159 -0.197 17850 14851 1 18 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.668 0.450 17850 14852 1 18 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.311 -0.956 17850 14853 1 18 . 1 1 47 47 ALA H H 47 8.324 8.324 7.371 0.953 17850 14854 1 18 . 1 1 48 48 GLU N N 48 118.713 118.713 120.088 -1.375 17850 14855 1 18 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.743 0.361 17850 14856 1 18 . 1 1 48 48 GLU C C 48 179.558 179.558 178.379 1.179 17850 14857 1 18 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.125 -1.907 17850 14858 1 18 . 1 1 48 48 GLU CB C 48 29.904 29.904 29.195 0.709 17850 14859 1 18 . 1 1 48 48 GLU H H 48 7.756 7.756 8.997 -1.241 17850 14860 1 18 . 1 1 49 49 VAL N N 49 119.108 119.108 119.623 -0.515 17850 14861 1 18 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.897 -0.433 17850 14862 1 18 . 1 1 49 49 VAL C C 49 177.505 177.505 178.209 -0.704 17850 14863 1 18 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.003 2.468 17850 14864 1 18 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.274 0.167 17850 14865 1 18 . 1 1 49 49 VAL H H 49 8.129 8.129 7.717 0.412 17850 14866 1 18 . 1 1 50 50 ASN N N 50 117.942 117.942 118.235 -0.293 17850 14867 1 18 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.536 -0.148 17850 14868 1 18 . 1 1 50 50 ASN C C 50 177.275 177.275 177.224 0.051 17850 14869 1 18 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.668 1.113 17850 14870 1 18 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.674 -0.277 17850 14871 1 18 . 1 1 50 50 ASN H H 50 8.071 8.071 7.699 0.372 17850 14872 1 18 . 1 1 51 51 ASP N N 51 120.669 120.669 118.857 1.812 17850 14873 1 18 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.588 -0.097 17850 14874 1 18 . 1 1 51 51 ASP C C 51 179.203 179.203 177.943 1.260 17850 14875 1 18 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.427 1.168 17850 14876 1 18 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.004 -0.690 17850 14877 1 18 . 1 1 51 51 ASP H H 51 8.364 8.364 8.242 0.122 17850 14878 1 18 . 1 1 52 52 LEU N N 52 122.409 122.409 117.803 4.606 17850 14879 1 18 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.153 -0.083 17850 14880 1 18 . 1 1 52 52 LEU C C 52 179.017 179.017 177.698 1.319 17850 14881 1 18 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.791 0.666 17850 14882 1 18 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.624 0.457 17850 14883 1 18 . 1 1 52 52 LEU H H 52 8.018 8.018 8.573 -0.555 17850 14884 1 18 . 1 1 53 53 MET N N 53 117.391 117.391 118.578 -1.187 17850 14885 1 18 . 1 1 53 53 MET HA H 53 4.112 4.112 4.466 -0.354 17850 14886 1 18 . 1 1 53 53 MET CA C 53 57.472 57.472 57.255 0.217 17850 14887 1 18 . 1 1 53 53 MET CB C 53 30.021 30.021 33.091 -3.070 17850 14888 1 18 . 1 1 53 53 MET H H 53 8.562 8.562 8.466 0.096 17850 14889 1 18 . 1 1 54 54 ASN N N 54 115.554 115.554 116.557 -1.003 17850 14890 1 18 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.637 -0.079 17850 14891 1 18 . 1 1 54 54 ASN C C 54 176.801 176.801 175.855 0.946 17850 14892 1 18 . 1 1 54 54 ASN CA C 54 55.297 55.297 54.628 0.669 17850 14893 1 18 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.873 -0.716 17850 14894 1 18 . 1 1 54 54 ASN H H 54 8.204 8.204 7.625 0.579 17850 14895 1 18 . 1 1 55 55 GLU N N 55 117.659 117.659 115.293 2.366 17850 14896 1 18 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.405 -0.203 17850 14897 1 18 . 1 1 55 55 GLU C C 55 177.093 177.093 177.143 -0.050 17850 14898 1 18 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.718 2.109 17850 14899 1 18 . 1 1 55 55 GLU CB C 55 30.020 30.020 29.991 0.029 17850 14900 1 18 . 1 1 55 55 GLU H H 55 7.617 7.617 7.367 0.250 17850 14901 1 18 . 1 1 56 56 ILE N N 56 117.618 117.618 122.127 -4.509 17850 14902 1 18 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.231 -0.347 17850 14903 1 18 . 1 1 56 56 ILE C C 56 176.029 176.029 176.935 -0.906 17850 14904 1 18 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.113 -0.299 17850 14905 1 18 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.044 1.884 17850 14906 1 18 . 1 1 56 56 ILE H H 56 7.472 7.472 7.810 -0.338 17850 14907 1 18 . 1 1 57 57 ASP N N 57 118.636 118.636 125.944 -7.308 17850 14908 1 18 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.530 -0.118 17850 14909 1 18 . 1 1 57 57 ASP C C 57 175.691 175.691 176.697 -1.006 17850 14910 1 18 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.079 -0.546 17850 14911 1 18 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.213 0.032 17850 14912 1 18 . 1 1 57 57 ASP H H 57 8.304 8.304 8.492 -0.188 17850 14913 1 18 . 1 1 58 58 VAL N N 58 126.376 126.376 118.275 8.101 17850 14914 1 18 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.134 -0.140 17850 14915 1 18 . 1 1 58 58 VAL C C 58 177.258 177.258 176.817 0.441 17850 14916 1 18 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.648 2.686 17850 14917 1 18 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.164 1.143 17850 14918 1 18 . 1 1 58 58 VAL H H 58 7.926 7.926 7.464 0.462 17850 14919 1 18 . 1 1 59 59 ASP N N 59 117.093 117.093 120.036 -2.943 17850 14920 1 18 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.283 0.274 17850 14921 1 18 . 1 1 59 59 ASP C C 59 177.759 177.759 176.884 0.875 17850 14922 1 18 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.907 -1.031 17850 14923 1 18 . 1 1 59 59 ASP H H 59 8.363 8.363 8.484 -0.121 17850 14924 1 18 . 1 1 60 60 GLY N N 60 108.290 108.290 108.665 -0.375 17850 14925 1 18 . 1 1 60 60 GLY C C 60 174.700 174.700 174.754 -0.054 17850 14926 1 18 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.778 3.342 17850 14927 1 18 . 1 1 60 60 GLY H H 60 7.636 7.636 8.882 -1.246 17850 14928 1 18 . 1 1 61 61 ASN N N 61 118.884 118.884 116.740 2.144 17850 14929 1 18 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.288 0.241 17850 14930 1 18 . 1 1 61 61 ASN C C 61 175.856 175.856 173.101 2.755 17850 14931 1 18 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.875 -2.515 17850 14932 1 18 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.860 0.317 17850 14933 1 18 . 1 1 61 61 ASN H H 61 8.078 8.078 8.135 -0.057 17850 14934 1 18 . 1 1 62 62 HIS N N 62 117.381 117.381 111.638 5.743 17850 14935 1 18 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.024 -1.147 17850 14936 1 18 . 1 1 62 62 HIS C C 62 172.310 172.310 173.644 -1.334 17850 14937 1 18 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.312 2.061 17850 14938 1 18 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.414 -8.680 17850 14939 1 18 . 1 1 62 62 HIS H H 62 9.958 9.958 8.156 1.802 17850 14940 1 18 . 1 1 63 63 GLN N N 63 112.906 112.906 120.144 -7.238 17850 14941 1 18 . 1 1 63 63 GLN HA H 63 4.832 4.832 5.056 -0.224 17850 14942 1 18 . 1 1 63 63 GLN C C 63 174.861 174.861 176.024 -1.163 17850 14943 1 18 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.392 -0.518 17850 14944 1 18 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.398 1.752 17850 14945 1 18 . 1 1 63 63 GLN H H 63 7.535 7.535 8.321 -0.786 17850 14946 1 18 . 1 1 64 64 ILE N N 64 124.083 124.083 127.159 -3.076 17850 14947 1 18 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.848 0.224 17850 14948 1 18 . 1 1 64 64 ILE C C 64 176.670 176.670 176.268 0.402 17850 14949 1 18 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.636 0.035 17850 14950 1 18 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.095 -1.928 17850 14951 1 18 . 1 1 64 64 ILE H H 64 9.274 9.274 9.138 0.136 17850 14952 1 18 . 1 1 65 65 GLU N N 65 129.276 129.276 120.815 8.461 17850 14953 1 18 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.901 2.139 17850 14954 1 18 . 1 1 65 65 GLU C C 65 178.156 178.156 176.815 1.341 17850 14955 1 18 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.571 0.277 17850 14956 1 18 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.547 1.633 17850 14957 1 18 . 1 1 65 65 GLU H H 65 8.848 8.848 8.995 -0.147 17850 14958 1 18 . 1 1 66 66 PHE N N 66 124.260 124.260 118.742 5.518 17850 14959 1 18 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.907 -0.217 17850 14960 1 18 . 1 1 66 66 PHE C C 66 177.294 177.294 176.948 0.346 17850 14961 1 18 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.358 1.662 17850 14962 1 18 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.548 -0.594 17850 14963 1 18 . 1 1 66 66 PHE H H 66 9.353 9.353 8.371 0.982 17850 14964 1 18 . 1 1 67 67 SER N N 67 112.827 112.827 117.934 -5.107 17850 14965 1 18 . 1 1 67 67 SER HA H 67 3.726 3.726 4.056 -0.330 17850 14966 1 18 . 1 1 67 67 SER C C 67 177.352 177.352 176.370 0.982 17850 14967 1 18 . 1 1 67 67 SER CA C 67 61.581 61.581 61.053 0.527 17850 14968 1 18 . 1 1 67 67 SER CB C 67 61.379 61.379 62.984 -1.605 17850 14969 1 18 . 1 1 67 67 SER H H 67 9.035 9.035 7.914 1.121 17850 14970 1 18 . 1 1 68 68 GLU N N 68 123.071 123.071 120.072 2.999 17850 14971 1 18 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.989 0.146 17850 14972 1 18 . 1 1 68 68 GLU C C 68 178.895 178.895 178.061 0.834 17850 14973 1 18 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.162 -2.184 17850 14974 1 18 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.136 -0.859 17850 14975 1 18 . 1 1 68 68 GLU H H 68 6.829 6.829 8.406 -1.577 17850 14976 1 18 . 1 1 69 69 PHE N N 69 123.805 123.805 116.613 7.192 17850 14977 1 18 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.051 -0.152 17850 14978 1 18 . 1 1 69 69 PHE C C 69 176.325 176.325 176.715 -0.390 17850 14979 1 18 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.483 0.944 17850 14980 1 18 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.576 2.852 17850 14981 1 18 . 1 1 69 69 PHE H H 69 8.245 8.245 7.440 0.805 17850 14982 1 18 . 1 1 70 70 LEU N N 70 119.210 119.210 118.853 0.357 17850 14983 1 18 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.914 -0.678 17850 14984 1 18 . 1 1 70 70 LEU C C 70 179.131 179.131 178.709 0.422 17850 14985 1 18 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.915 0.562 17850 14986 1 18 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.408 -0.080 17850 14987 1 18 . 1 1 70 70 LEU H H 70 8.788 8.788 7.573 1.215 17850 14988 1 18 . 1 1 71 71 ALA N N 71 121.612 121.612 121.714 -0.102 17850 14989 1 18 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.083 -0.174 17850 14990 1 18 . 1 1 71 71 ALA C C 71 179.804 179.804 178.575 1.229 17850 14991 1 18 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.336 0.780 17850 14992 1 18 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.716 -0.954 17850 14993 1 18 . 1 1 71 71 ALA H H 71 7.365 7.365 7.450 -0.085 17850 14994 1 18 . 1 1 72 72 LEU N N 72 118.944 118.944 117.308 1.636 17850 14995 1 18 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.847 0.117 17850 14996 1 18 . 1 1 72 72 LEU C C 72 178.415 178.415 179.588 -1.173 17850 14997 1 18 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.297 0.520 17850 14998 1 18 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.921 -0.453 17850 14999 1 18 . 1 1 72 72 LEU H H 72 7.142 7.142 7.515 -0.373 17850 15000 1 18 . 1 1 73 73 MET N N 73 114.500 114.500 116.791 -2.291 17850 15001 1 18 . 1 1 73 73 MET HA H 73 3.978 3.978 4.388 -0.410 17850 15002 1 18 . 1 1 73 73 MET C C 73 178.283 178.283 177.650 0.633 17850 15003 1 18 . 1 1 73 73 MET CA C 73 55.701 55.701 57.772 -2.071 17850 15004 1 18 . 1 1 73 73 MET CB C 73 30.742 30.742 32.743 -2.001 17850 15005 1 18 . 1 1 73 73 MET H H 73 7.726 7.726 7.638 0.088 17850 15006 1 18 . 1 1 74 74 SER N N 74 112.626 112.626 116.417 -3.791 17850 15007 1 18 . 1 1 74 74 SER HA H 74 4.287 4.287 4.526 -0.239 17850 15008 1 18 . 1 1 74 74 SER C C 74 174.717 174.717 173.204 1.513 17850 15009 1 18 . 1 1 74 74 SER CA C 74 59.582 59.582 57.695 1.887 17850 15010 1 18 . 1 1 74 74 SER CB C 74 63.746 63.746 61.827 1.919 17850 15011 1 18 . 1 1 74 74 SER H H 74 7.857 7.857 7.448 0.409 17850 15012 1 18 . 1 1 75 75 ARG N N 75 122.130 122.130 118.783 3.347 17850 15013 1 18 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.390 -0.243 17850 15014 1 18 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.634 2.141 17850 15015 1 18 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.115 -1.449 17850 15016 1 18 . 1 1 75 75 ARG H H 75 7.208 7.208 7.835 -0.627 17850 15017 1 18 . 1 1 76 76 GLN N N 76 121.749 121.749 119.684 2.065 17850 15018 1 18 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.614 -0.330 17850 15019 1 18 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.423 0.770 17850 15020 1 18 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.001 -0.944 17850 15021 1 18 . 1 1 76 76 GLN H H 76 8.327 8.327 7.983 0.344 17850 15022 1 18 . 1 1 77 77 LEU N N 77 124.093 124.093 125.052 -0.959 17850 15023 1 18 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.470 -0.031 17850 15024 1 18 . 1 1 77 77 LEU C C 77 177.670 177.670 176.372 1.298 17850 15025 1 18 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.503 -0.220 17850 15026 1 18 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.394 -0.614 17850 15027 1 18 . 1 1 77 77 LEU H H 77 8.264 8.264 8.920 -0.656 17850 15028 1 18 . 1 1 78 78 LYS N N 78 121.053 121.053 120.284 0.769 17850 15029 1 18 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.445 -0.038 17850 15030 1 18 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.467 -0.282 17850 15031 1 18 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.394 -0.117 17850 15032 1 18 . 1 1 78 78 LYS H H 78 8.433 8.433 8.194 0.239 17850 15033 1 18 . 1 1 79 79 SER N N 79 116.423 116.423 116.711 -0.288 17850 15034 1 18 . 1 1 79 79 SER HA H 79 4.321 4.321 4.603 -0.282 17850 15035 1 18 . 1 1 79 79 SER C C 79 175.145 175.145 174.838 0.307 17850 15036 1 18 . 1 1 79 79 SER CA C 79 59.795 59.795 58.679 1.116 17850 15037 1 18 . 1 1 79 79 SER CB C 79 63.226 63.226 63.402 -0.176 17850 15038 1 18 . 1 1 79 79 SER H H 79 8.448 8.448 8.455 -0.007 17850 15039 1 18 . 1 1 80 80 ASN N N 80 119.581 119.581 119.249 0.332 17850 15040 1 18 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.340 0.359 17850 15041 1 18 . 1 1 80 80 ASN C C 80 175.726 175.726 177.295 -1.569 17850 15042 1 18 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.516 -2.103 17850 15043 1 18 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.652 0.936 17850 15044 1 18 . 1 1 80 80 ASN H H 80 8.513 8.513 8.503 0.010 17850 15045 1 18 . 1 1 81 81 ASP N N 81 120.378 120.378 121.030 -0.652 17850 15046 1 18 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.265 0.365 17850 15047 1 18 . 1 1 81 81 ASP C C 81 177.281 177.281 178.589 -1.308 17850 15048 1 18 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.218 -1.625 17850 15049 1 18 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.409 1.197 17850 15050 1 18 . 1 1 81 81 ASP H H 81 7.957 7.957 8.641 -0.684 17850 15051 1 18 . 1 1 82 82 SER N N 82 117.046 117.046 116.953 0.093 17850 15052 1 18 . 1 1 82 82 SER HA H 82 4.194 4.194 4.139 0.055 17850 15053 1 18 . 1 1 82 82 SER C C 82 176.745 176.745 176.602 0.143 17850 15054 1 18 . 1 1 82 82 SER CA C 82 61.376 61.376 61.081 0.295 17850 15055 1 18 . 1 1 82 82 SER CB C 82 62.896 62.896 63.071 -0.175 17850 15056 1 18 . 1 1 82 82 SER H H 82 8.469 8.469 8.198 0.271 17850 15057 1 18 . 1 1 83 83 GLU N N 83 122.405 122.405 118.788 3.617 17850 15058 1 18 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.101 -0.001 17850 15059 1 18 . 1 1 83 83 GLU C C 83 178.740 178.740 179.073 -0.333 17850 15060 1 18 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.827 -0.362 17850 15061 1 18 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.600 -0.196 17850 15062 1 18 . 1 1 83 83 GLU H H 83 8.357 8.357 8.395 -0.038 17850 15063 1 18 . 1 1 84 84 GLN N N 84 118.604 118.604 119.371 -0.767 17850 15064 1 18 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.069 0.040 17850 15065 1 18 . 1 1 84 84 GLN C C 84 178.533 178.533 178.602 -0.069 17850 15066 1 18 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.778 -0.311 17850 15067 1 18 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.429 0.992 17850 15068 1 18 . 1 1 84 84 GLN H H 84 7.988 7.988 8.001 -0.013 17850 15069 1 18 . 1 1 85 85 GLU N N 85 119.418 119.418 118.836 0.582 17850 15070 1 18 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.290 -0.348 17850 15071 1 18 . 1 1 85 85 GLU C C 85 178.250 178.250 178.914 -0.664 17850 15072 1 18 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.492 0.632 17850 15073 1 18 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.233 0.339 17850 15074 1 18 . 1 1 85 85 GLU H H 85 8.228 8.228 7.508 0.720 17850 15075 1 18 . 1 1 86 86 LEU N N 86 120.010 120.010 117.563 2.447 17850 15076 1 18 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.163 -0.004 17850 15077 1 18 . 1 1 86 86 LEU C C 86 178.534 178.534 178.856 -0.322 17850 15078 1 18 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.242 -0.035 17850 15079 1 18 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.767 0.858 17850 15080 1 18 . 1 1 86 86 LEU H H 86 7.797 7.797 7.594 0.203 17850 15081 1 18 . 1 1 87 87 LEU N N 87 119.111 119.111 120.492 -1.381 17850 15082 1 18 . 1 1 87 87 LEU HA H 87 4.104 4.104 3.956 0.148 17850 15083 1 18 . 1 1 87 87 LEU C C 87 179.333 179.333 179.632 -0.299 17850 15084 1 18 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.348 -0.105 17850 15085 1 18 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.523 0.242 17850 15086 1 18 . 1 1 87 87 LEU H H 87 7.825 7.825 8.826 -1.001 17850 15087 1 18 . 1 1 88 88 GLU N N 88 117.514 117.514 118.694 -1.180 17850 15088 1 18 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.464 -0.363 17850 15089 1 18 . 1 1 88 88 GLU C C 88 179.461 179.461 178.321 1.140 17850 15090 1 18 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.928 0.088 17850 15091 1 18 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.513 -0.843 17850 15092 1 18 . 1 1 88 88 GLU H H 88 8.265 8.265 8.263 0.002 17850 15093 1 18 . 1 1 89 89 ALA N N 89 120.734 120.734 124.586 -3.852 17850 15094 1 18 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.265 0.902 17850 15095 1 18 . 1 1 89 89 ALA C C 89 178.362 178.362 178.601 -0.239 17850 15096 1 18 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.343 0.734 17850 15097 1 18 . 1 1 89 89 ALA CB C 89 17.983 17.983 18.906 -0.923 17850 15098 1 18 . 1 1 89 89 ALA H H 89 8.192 8.192 8.409 -0.217 17850 15099 1 18 . 1 1 90 90 PHE N N 90 119.339 119.339 118.104 1.235 17850 15100 1 18 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.967 -0.768 17850 15101 1 18 . 1 1 90 90 PHE C C 90 177.497 177.497 177.687 -0.190 17850 15102 1 18 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.996 1.189 17850 15103 1 18 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.178 1.642 17850 15104 1 18 . 1 1 90 90 PHE H H 90 8.685 8.685 8.482 0.203 17850 15105 1 18 . 1 1 91 91 LYS N N 91 116.189 116.189 119.666 -3.477 17850 15106 1 18 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.913 0.035 17850 15107 1 18 . 1 1 91 91 LYS C C 91 178.236 178.236 178.157 0.079 17850 15108 1 18 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.306 0.208 17850 15109 1 18 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.701 0.170 17850 15110 1 18 . 1 1 91 91 LYS H H 91 8.112 8.112 7.341 0.771 17850 15111 1 18 . 1 1 92 92 VAL N N 92 117.696 117.696 117.235 0.461 17850 15112 1 18 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.901 -0.329 17850 15113 1 18 . 1 1 92 92 VAL C C 92 176.545 176.545 176.886 -0.341 17850 15114 1 18 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.112 0.459 17850 15115 1 18 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.262 -0.836 17850 15116 1 18 . 1 1 92 92 VAL H H 92 7.383 7.383 7.776 -0.393 17850 15117 1 18 . 1 1 93 93 PHE N N 93 114.826 114.826 117.855 -3.029 17850 15118 1 18 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.634 -0.407 17850 15119 1 18 . 1 1 93 93 PHE C C 93 176.417 176.417 176.207 0.210 17850 15120 1 18 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.913 0.687 17850 15121 1 18 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.801 2.394 17850 15122 1 18 . 1 1 93 93 PHE H H 93 7.116 7.116 8.005 -0.889 17850 15123 1 18 . 1 1 94 94 ASP N N 94 116.753 116.753 124.259 -7.506 17850 15124 1 18 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.515 0.016 17850 15125 1 18 . 1 1 94 94 ASP C C 94 177.305 177.305 177.115 0.190 17850 15126 1 18 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.284 -2.813 17850 15127 1 18 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.524 -1.683 17850 15128 1 18 . 1 1 94 94 ASP H H 94 7.849 7.849 8.144 -0.295 17850 15129 1 18 . 1 1 95 95 LYS N N 95 125.185 125.185 119.343 5.842 17850 15130 1 18 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.174 -0.171 17850 15131 1 18 . 1 1 95 95 LYS C C 95 178.261 178.261 176.982 1.279 17850 15132 1 18 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.749 1.327 17850 15133 1 18 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.444 -1.254 17850 15134 1 18 . 1 1 95 95 LYS H H 95 7.755 7.755 7.799 -0.044 17850 15135 1 18 . 1 1 96 96 ASN N N 96 112.542 112.542 119.859 -7.317 17850 15136 1 18 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.362 0.423 17850 15137 1 18 . 1 1 96 96 ASN C C 96 176.469 176.469 174.438 2.031 17850 15138 1 18 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.991 -1.129 17850 15139 1 18 . 1 1 96 96 ASN H H 96 8.069 8.069 8.095 -0.026 17850 15140 1 18 . 1 1 97 97 GLY N N 97 109.956 109.956 110.872 -0.916 17850 15141 1 18 . 1 1 97 97 GLY C C 97 175.032 175.032 175.713 -0.681 17850 15142 1 18 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.311 3.397 17850 15143 1 18 . 1 1 97 97 GLY H H 97 7.686 7.686 8.883 -1.197 17850 15144 1 18 . 1 1 98 98 ASP N N 98 119.383 119.383 120.243 -0.860 17850 15145 1 18 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.314 0.239 17850 15146 1 18 . 1 1 98 98 ASP C C 98 177.274 177.274 174.668 2.606 17850 15147 1 18 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.989 -1.655 17850 15148 1 18 . 1 1 98 98 ASP H H 98 8.249 8.249 8.081 0.168 17850 15149 1 18 . 1 1 99 99 GLY N N 99 112.398 112.398 105.385 7.013 17850 15150 1 18 . 1 1 99 99 GLY C C 99 173.128 173.128 173.958 -0.830 17850 15151 1 18 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.779 1.950 17850 15152 1 18 . 1 1 99 99 GLY H H 99 10.390 10.390 8.037 2.353 17850 15153 1 18 . 1 1 100 100 LEU N N 100 120.803 120.803 125.708 -4.905 17850 15154 1 18 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.748 0.517 17850 15155 1 18 . 1 1 100 100 LEU C C 100 176.427 176.427 177.387 -0.960 17850 15156 1 18 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.057 -2.281 17850 15157 1 18 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.683 4.518 17850 15158 1 18 . 1 1 100 100 LEU H H 100 7.987 7.987 8.837 -0.850 17850 15159 1 18 . 1 1 101 101 ILE N N 101 125.286 125.286 128.645 -3.359 17850 15160 1 18 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.257 0.465 17850 15161 1 18 . 1 1 101 101 ILE C C 101 175.432 175.432 177.253 -1.821 17850 15162 1 18 . 1 1 101 101 ILE CA C 101 60.249 60.249 61.087 -0.838 17850 15163 1 18 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.204 -0.140 17850 15164 1 18 . 1 1 101 101 ILE H H 101 9.698 9.698 8.280 1.418 17850 15165 1 18 . 1 1 102 102 SER N N 102 123.133 123.133 116.690 6.443 17850 15166 1 18 . 1 1 102 102 SER HA H 102 4.969 4.969 4.174 0.795 17850 15167 1 18 . 1 1 102 102 SER C C 102 175.298 175.298 176.415 -1.117 17850 15168 1 18 . 1 1 102 102 SER CA C 102 55.994 55.994 61.741 -5.747 17850 15169 1 18 . 1 1 102 102 SER CB C 102 66.456 66.456 62.673 3.783 17850 15170 1 18 . 1 1 102 102 SER H H 102 9.095 9.095 8.998 0.097 17850 15171 1 18 . 1 1 103 103 ALA N N 103 122.886 122.886 122.296 0.590 17850 15172 1 18 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.827 0.062 17850 15173 1 18 . 1 1 103 103 ALA C C 103 179.237 179.237 179.689 -0.452 17850 15174 1 18 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.394 0.688 17850 15175 1 18 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.816 0.241 17850 15176 1 18 . 1 1 103 103 ALA H H 103 8.691 8.691 8.666 0.024 17850 15177 1 18 . 1 1 104 104 ALA N N 104 118.317 118.317 120.541 -2.224 17850 15178 1 18 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.704 0.370 17850 15179 1 18 . 1 1 104 104 ALA C C 104 181.451 181.451 179.020 2.431 17850 15180 1 18 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.650 0.635 17850 15181 1 18 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.426 0.009 17850 15182 1 18 . 1 1 104 104 ALA H H 104 8.392 8.392 8.235 0.157 17850 15183 1 18 . 1 1 105 105 GLU N N 105 120.398 120.398 117.933 2.465 17850 15184 1 18 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.711 -0.651 17850 15185 1 18 . 1 1 105 105 GLU C C 105 179.223 179.223 177.611 1.612 17850 15186 1 18 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.524 -0.061 17850 15187 1 18 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.093 -0.942 17850 15188 1 18 . 1 1 105 105 GLU H H 105 7.879 7.879 8.354 -0.475 17850 15189 1 18 . 1 1 106 106 LEU N N 106 120.023 120.023 120.402 -0.379 17850 15190 1 18 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.891 0.272 17850 15191 1 18 . 1 1 106 106 LEU C C 106 178.503 178.503 178.834 -0.331 17850 15192 1 18 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.541 0.148 17850 15193 1 18 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.042 1.245 17850 15194 1 18 . 1 1 106 106 LEU H H 106 8.479 8.479 8.723 -0.244 17850 15195 1 18 . 1 1 107 107 LYS N N 107 117.064 117.064 120.590 -3.526 17850 15196 1 18 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.983 -0.165 17850 15197 1 18 . 1 1 107 107 LYS C C 107 179.039 179.039 178.947 0.092 17850 15198 1 18 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.344 0.964 17850 15199 1 18 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.172 0.718 17850 15200 1 18 . 1 1 107 107 LYS H H 107 8.758 8.758 8.612 0.146 17850 15201 1 18 . 1 1 108 108 HIS N N 108 119.125 119.125 118.610 0.515 17850 15202 1 18 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.594 0.722 17850 15203 1 18 . 1 1 108 108 HIS C C 108 178.394 178.394 176.543 1.851 17850 15204 1 18 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.680 0.507 17850 15205 1 18 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.082 1.410 17850 15206 1 18 . 1 1 108 108 HIS H H 108 8.287 8.287 7.664 0.623 17850 15207 1 18 . 1 1 109 109 VAL N N 109 119.525 119.525 117.353 2.172 17850 15208 1 18 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.773 -0.288 17850 15209 1 18 . 1 1 109 109 VAL C C 109 178.246 178.246 178.258 -0.012 17850 15210 1 18 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.319 1.391 17850 15211 1 18 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.881 0.691 17850 15212 1 18 . 1 1 109 109 VAL H H 109 7.915 7.915 8.509 -0.594 17850 15213 1 18 . 1 1 110 110 LEU N N 110 117.403 117.403 119.673 -2.270 17850 15214 1 18 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.202 -0.223 17850 15215 1 18 . 1 1 110 110 LEU C C 110 178.968 178.968 178.727 0.241 17850 15216 1 18 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.571 0.647 17850 15217 1 18 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.348 -0.820 17850 15218 1 18 . 1 1 110 110 LEU H H 110 8.269 8.269 8.228 0.041 17850 15219 1 18 . 1 1 111 111 THR N N 111 114.122 114.122 114.568 -0.446 17850 15220 1 18 . 1 1 111 111 THR HA H 111 4.184 4.184 4.043 0.141 17850 15221 1 18 . 1 1 111 111 THR C C 111 178.534 178.534 174.565 3.969 17850 15222 1 18 . 1 1 111 111 THR CA C 111 66.252 66.252 63.527 2.725 17850 15223 1 18 . 1 1 111 111 THR CB C 111 68.851 68.851 67.936 0.915 17850 15224 1 18 . 1 1 111 111 THR H H 111 8.441 8.441 7.703 0.738 17850 15225 1 18 . 1 1 112 112 SER N N 112 119.981 119.981 105.469 14.512 17850 15226 1 18 . 1 1 112 112 SER HA H 112 4.215 4.215 4.650 -0.435 17850 15227 1 18 . 1 1 112 112 SER C C 112 175.523 175.523 174.630 0.893 17850 15228 1 18 . 1 1 112 112 SER CA C 112 62.197 62.197 58.280 3.917 17850 15229 1 18 . 1 1 112 112 SER CB C 112 62.936 62.936 64.990 -2.054 17850 15230 1 18 . 1 1 112 112 SER H H 112 7.910 7.910 7.092 0.818 17850 15231 1 18 . 1 1 113 113 ILE N N 113 112.726 112.726 119.498 -6.772 17850 15232 1 18 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.900 0.584 17850 15233 1 18 . 1 1 113 113 ILE C C 113 175.636 175.636 175.037 0.599 17850 15234 1 18 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.290 -0.535 17850 15235 1 18 . 1 1 113 113 ILE H H 113 7.473 7.473 7.527 -0.054 17850 15236 1 18 . 1 1 114 114 GLY N N 114 108.354 108.354 112.399 -4.045 17850 15237 1 18 . 1 1 114 114 GLY C C 114 174.583 174.583 174.228 0.355 17850 15238 1 18 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.688 0.162 17850 15239 1 18 . 1 1 114 114 GLY H H 114 7.652 7.652 8.136 -0.484 17850 15240 1 18 . 1 1 115 115 GLU N N 115 120.283 120.283 123.650 -3.367 17850 15241 1 18 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.561 -0.256 17850 15242 1 18 . 1 1 115 115 GLU C C 115 175.444 175.444 175.420 0.024 17850 15243 1 18 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.391 -0.259 17850 15244 1 18 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.050 0.200 17850 15245 1 18 . 1 1 115 115 GLU H H 115 8.045 8.045 8.233 -0.188 17850 15246 1 18 . 1 1 116 116 LYS N N 116 124.370 124.370 125.760 -1.390 17850 15247 1 18 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.570 -0.148 17850 15248 1 18 . 1 1 116 116 LYS C C 116 175.287 175.287 176.323 -1.036 17850 15249 1 18 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.217 0.418 17850 15250 1 18 . 1 1 116 116 LYS CB C 116 32.142 32.142 35.118 -2.976 17850 15251 1 18 . 1 1 116 116 LYS H H 116 8.571 8.571 8.489 0.082 17850 15252 1 18 . 1 1 117 117 LEU N N 117 125.492 125.492 119.546 5.946 17850 15253 1 18 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.327 0.457 17850 15254 1 18 . 1 1 117 117 LEU C C 117 177.161 177.161 177.491 -0.330 17850 15255 1 18 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.195 1.038 17850 15256 1 18 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.622 1.376 17850 15257 1 18 . 1 1 117 117 LEU H H 117 8.042 8.042 8.048 -0.006 17850 15258 1 18 . 1 1 118 118 THR N N 118 113.255 113.255 116.903 -3.648 17850 15259 1 18 . 1 1 118 118 THR HA H 118 4.497 4.497 4.022 0.475 17850 15260 1 18 . 1 1 118 118 THR C C 118 175.335 175.335 176.597 -1.262 17850 15261 1 18 . 1 1 118 118 THR CA C 118 60.434 60.434 66.922 -6.488 17850 15262 1 18 . 1 1 118 118 THR CB C 118 71.193 71.193 68.581 2.612 17850 15263 1 18 . 1 1 118 118 THR H H 118 8.995 8.995 8.652 0.343 17850 15264 1 18 . 1 1 119 119 ASP N N 119 120.837 120.837 116.887 3.950 17850 15265 1 18 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.537 -0.305 17850 15266 1 18 . 1 1 119 119 ASP C C 119 178.422 178.422 177.669 0.753 17850 15267 1 18 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.101 1.996 17850 15268 1 18 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.223 -0.248 17850 15269 1 18 . 1 1 119 119 ASP H H 119 8.743 8.743 8.346 0.397 17850 15270 1 18 . 1 1 120 120 ALA N N 120 121.309 121.309 121.556 -0.247 17850 15271 1 18 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.198 -0.032 17850 15272 1 18 . 1 1 120 120 ALA C C 120 179.796 179.796 179.934 -0.138 17850 15273 1 18 . 1 1 120 120 ALA CA C 120 55.028 55.028 53.975 1.053 17850 15274 1 18 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.143 -0.823 17850 15275 1 18 . 1 1 120 120 ALA H H 120 8.304 8.304 7.370 0.934 17850 15276 1 18 . 1 1 121 121 GLU N N 121 118.068 118.068 121.258 -3.190 17850 15277 1 18 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.920 0.137 17850 15278 1 18 . 1 1 121 121 GLU C C 121 180.035 180.035 177.372 2.663 17850 15279 1 18 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.862 -1.624 17850 15280 1 18 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.929 0.500 17850 15281 1 18 . 1 1 121 121 GLU H H 121 7.705 7.705 8.853 -1.148 17850 15282 1 18 . 1 1 122 122 VAL N N 122 120.636 120.636 117.843 2.793 17850 15283 1 18 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.788 -0.251 17850 15284 1 18 . 1 1 122 122 VAL C C 122 177.120 177.120 177.264 -0.144 17850 15285 1 18 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.606 1.437 17850 15286 1 18 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.540 -0.148 17850 15287 1 18 . 1 1 122 122 VAL H H 122 7.935 7.935 7.960 -0.025 17850 15288 1 18 . 1 1 123 123 ASP N N 123 120.336 120.336 118.141 2.195 17850 15289 1 18 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.486 -0.183 17850 15290 1 18 . 1 1 123 123 ASP C C 123 179.023 179.023 177.933 1.090 17850 15291 1 18 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.551 1.392 17850 15292 1 18 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.123 -0.452 17850 15293 1 18 . 1 1 123 123 ASP H H 123 8.204 8.204 7.753 0.451 17850 15294 1 18 . 1 1 124 124 ASP N N 124 118.890 118.890 120.346 -1.456 17850 15295 1 18 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.359 -0.019 17850 15296 1 18 . 1 1 124 124 ASP C C 124 178.527 178.527 177.750 0.777 17850 15297 1 18 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.786 0.737 17850 15298 1 18 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.884 -0.064 17850 15299 1 18 . 1 1 124 124 ASP H H 124 8.272 8.272 7.362 0.910 17850 15300 1 18 . 1 1 125 125 MET N N 125 119.365 119.365 117.063 2.302 17850 15301 1 18 . 1 1 125 125 MET HA H 125 4.091 4.091 4.083 0.008 17850 15302 1 18 . 1 1 125 125 MET C C 125 178.021 178.021 178.230 -0.209 17850 15303 1 18 . 1 1 125 125 MET CA C 125 59.205 59.205 57.950 1.255 17850 15304 1 18 . 1 1 125 125 MET CB C 125 33.281 33.281 32.121 1.160 17850 15305 1 18 . 1 1 125 125 MET H H 125 7.750 7.750 8.585 -0.835 17850 15306 1 18 . 1 1 126 126 LEU N N 126 117.193 117.193 118.851 -1.658 17850 15307 1 18 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.986 -0.062 17850 15308 1 18 . 1 1 126 126 LEU C C 126 180.267 180.267 179.510 0.757 17850 15309 1 18 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.721 0.081 17850 15310 1 18 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.416 0.198 17850 15311 1 18 . 1 1 126 126 LEU H H 126 8.152 8.152 7.575 0.577 17850 15312 1 18 . 1 1 127 127 ARG N N 127 120.792 120.792 117.310 3.482 17850 15313 1 18 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.069 -0.028 17850 15314 1 18 . 1 1 127 127 ARG C C 127 178.027 178.027 177.730 0.297 17850 15315 1 18 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.818 0.463 17850 15316 1 18 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.195 -0.196 17850 15317 1 18 . 1 1 127 127 ARG H H 127 8.335 8.335 7.599 0.736 17850 15318 1 18 . 1 1 128 128 GLU N N 128 117.142 117.142 110.038 7.104 17850 15319 1 18 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.682 -0.576 17850 15320 1 18 . 1 1 128 128 GLU C C 128 178.618 178.618 176.144 2.474 17850 15321 1 18 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.884 3.321 17850 15322 1 18 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.550 -0.156 17850 15323 1 18 . 1 1 128 128 GLU H H 128 7.667 7.667 8.272 -0.605 17850 15324 1 18 . 1 1 129 129 VAL N N 129 108.345 108.345 119.051 -10.706 17850 15325 1 18 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.249 0.238 17850 15326 1 18 . 1 1 129 129 VAL C C 129 175.591 175.591 176.756 -1.165 17850 15327 1 18 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.861 -1.198 17850 15328 1 18 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.282 -0.273 17850 15329 1 18 . 1 1 129 129 VAL H H 129 7.470 7.470 7.923 -0.453 17850 15330 1 18 . 1 1 130 130 SER N N 130 115.012 115.012 116.790 -1.778 17850 15331 1 18 . 1 1 130 130 SER HA H 130 4.670 4.670 4.140 0.530 17850 15332 1 18 . 1 1 130 130 SER C C 130 174.414 174.414 174.585 -0.171 17850 15333 1 18 . 1 1 130 130 SER CA C 130 58.067 58.067 59.642 -1.575 17850 15334 1 18 . 1 1 130 130 SER CB C 130 65.814 65.814 61.993 3.821 17850 15335 1 18 . 1 1 130 130 SER H H 130 7.858 7.858 7.788 0.070 17850 15336 1 18 . 1 1 131 131 ASP N N 131 120.972 120.972 116.186 4.786 17850 15337 1 18 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.212 0.354 17850 15338 1 18 . 1 1 131 131 ASP C C 131 176.676 176.676 176.403 0.273 17850 15339 1 18 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.504 0.279 17850 15340 1 18 . 1 1 131 131 ASP H H 131 8.478 8.478 7.978 0.500 17850 15341 1 18 . 1 1 132 132 GLY N N 132 105.512 105.512 110.477 -4.965 17850 15342 1 18 . 1 1 132 132 GLY C C 132 174.924 174.924 175.905 -0.981 17850 15343 1 18 . 1 1 132 132 GLY CA C 132 45.670 45.670 47.612 -1.942 17850 15344 1 18 . 1 1 132 132 GLY H H 132 8.352 8.352 8.257 0.095 17850 15345 1 18 . 1 1 133 133 SER N N 133 116.718 116.718 113.292 3.426 17850 15346 1 18 . 1 1 133 133 SER HA H 133 4.435 4.435 4.367 0.068 17850 15347 1 18 . 1 1 133 133 SER C C 133 175.404 175.404 172.984 2.420 17850 15348 1 18 . 1 1 133 133 SER CA C 133 59.340 59.340 57.812 1.528 17850 15349 1 18 . 1 1 133 133 SER H H 133 8.104 8.104 8.412 -0.308 17850 15350 1 18 . 1 1 134 134 GLY N N 134 109.601 109.601 107.885 1.716 17850 15351 1 18 . 1 1 134 134 GLY C C 134 172.547 172.547 172.468 0.079 17850 15352 1 18 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.020 2.803 17850 15353 1 18 . 1 1 134 134 GLY H H 134 8.555 8.555 7.677 0.878 17850 15354 1 18 . 1 1 135 135 GLU N N 135 117.166 117.166 113.158 4.008 17850 15355 1 18 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.822 0.205 17850 15356 1 18 . 1 1 135 135 GLU C C 135 175.280 175.280 174.440 0.840 17850 15357 1 18 . 1 1 135 135 GLU CA C 135 54.735 54.735 55.032 -0.297 17850 15358 1 18 . 1 1 135 135 GLU CB C 135 32.874 32.874 31.715 1.159 17850 15359 1 18 . 1 1 135 135 GLU H H 135 7.641 7.641 8.765 -1.124 17850 15360 1 18 . 1 1 136 136 ILE N N 136 114.256 114.256 125.708 -11.452 17850 15361 1 18 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.869 0.207 17850 15362 1 18 . 1 1 136 136 ILE C C 136 175.228 175.228 177.240 -2.012 17850 15363 1 18 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.974 -0.576 17850 15364 1 18 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.345 2.307 17850 15365 1 18 . 1 1 136 136 ILE H H 136 8.565 8.565 8.138 0.427 17850 15366 1 18 . 1 1 137 137 ASN N N 137 121.842 121.842 118.080 3.762 17850 15367 1 18 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.511 1.754 17850 15368 1 18 . 1 1 137 137 ASN C C 137 176.835 176.835 176.342 0.493 17850 15369 1 18 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.699 -3.672 17850 15370 1 18 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.685 2.028 17850 15371 1 18 . 1 1 137 137 ASN H H 137 8.767 8.767 8.340 0.427 17850 15372 1 18 . 1 1 138 138 ILE N N 138 118.075 118.075 118.527 -0.452 17850 15373 1 18 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.873 -0.121 17850 15374 1 18 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.317 0.455 17850 15375 1 18 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.731 0.822 17850 15376 1 18 . 1 1 138 138 ILE H H 138 8.418 8.418 8.372 0.046 17850 15377 1 18 . 1 1 139 139 GLN N N 139 122.926 122.926 119.831 3.095 17850 15378 1 18 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.026 0.100 17850 15379 1 18 . 1 1 139 139 GLN C C 139 179.886 179.886 178.908 0.978 17850 15380 1 18 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.767 0.819 17850 15381 1 18 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.411 -0.626 17850 15382 1 18 . 1 1 139 139 GLN H H 139 7.632 7.632 8.006 -0.374 17850 15383 1 18 . 1 1 140 140 GLN N N 140 121.813 121.813 120.502 1.311 17850 15384 1 18 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.806 0.355 17850 15385 1 18 . 1 1 140 140 GLN C C 140 178.284 178.284 177.273 1.011 17850 15386 1 18 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.928 -0.712 17850 15387 1 18 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.494 -0.056 17850 15388 1 18 . 1 1 140 140 GLN H H 140 8.416 8.416 8.916 -0.500 17850 15389 1 18 . 1 1 141 141 PHE N N 141 121.732 121.732 117.813 3.919 17850 15390 1 18 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.774 0.378 17850 15391 1 18 . 1 1 141 141 PHE C C 141 176.273 176.273 176.452 -0.179 17850 15392 1 18 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.246 0.714 17850 15393 1 18 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.006 2.055 17850 15394 1 18 . 1 1 141 141 PHE H H 141 9.030 9.030 7.940 1.090 17850 15395 1 18 . 1 1 142 142 ALA N N 142 119.852 119.852 121.044 -1.192 17850 15396 1 18 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.956 -0.153 17850 15397 1 18 . 1 1 142 142 ALA C C 142 180.733 180.733 179.019 1.714 17850 15398 1 18 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.383 0.827 17850 15399 1 18 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.187 -0.285 17850 15400 1 18 . 1 1 142 142 ALA H H 142 8.399 8.399 7.911 0.488 17850 15401 1 18 . 1 1 143 143 ALA N N 143 120.555 120.555 119.778 0.777 17850 15402 1 18 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.778 0.336 17850 15403 1 18 . 1 1 143 143 ALA C C 143 180.455 180.455 179.465 0.990 17850 15404 1 18 . 1 1 143 143 ALA CA C 143 55.013 55.013 55.559 -0.546 17850 15405 1 18 . 1 1 143 143 ALA CB C 143 17.849 17.849 18.978 -1.129 17850 15406 1 18 . 1 1 143 143 ALA H H 143 7.627 7.627 7.143 0.484 17850 15407 1 18 . 1 1 144 144 LEU N N 144 121.054 121.054 114.502 6.552 17850 15408 1 18 . 1 1 144 144 LEU HA H 144 3.933 3.933 3.894 0.039 17850 15409 1 18 . 1 1 144 144 LEU C C 144 177.756 177.756 178.032 -0.276 17850 15410 1 18 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.619 1.077 17850 15411 1 18 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.356 0.482 17850 15412 1 18 . 1 1 144 144 LEU H H 144 8.029 8.029 7.394 0.635 17850 15413 1 18 . 1 1 145 145 LEU N N 145 115.288 115.288 117.605 -2.317 17850 15414 1 18 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.392 -0.419 17850 15415 1 18 . 1 1 145 145 LEU C C 145 177.284 177.284 176.012 1.272 17850 15416 1 18 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.633 0.651 17850 15417 1 18 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.086 -0.476 17850 15418 1 18 . 1 1 145 145 LEU H H 145 7.309 7.309 7.630 -0.321 17850 15419 1 18 . 1 1 146 146 SER N N 146 114.503 114.503 118.384 -3.881 17850 15420 1 18 . 1 1 146 146 SER HA H 146 4.346 4.346 4.607 -0.261 17850 15421 1 18 . 1 1 146 146 SER C C 146 175.125 175.125 173.022 2.103 17850 15422 1 18 . 1 1 146 146 SER CA C 146 59.046 59.046 57.015 2.031 17850 15423 1 18 . 1 1 146 146 SER CB C 146 64.181 64.181 63.982 0.199 17850 15424 1 18 . 1 1 146 146 SER H H 146 7.506 7.506 8.099 -0.593 17850 15425 1 18 . 1 1 147 147 LYS N N 147 123.315 123.315 122.504 0.811 17850 15426 1 18 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.607 -0.440 17850 15427 1 18 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.637 1.045 17850 15428 1 18 . 1 1 147 147 LYS H H 147 8.329 8.329 8.371 -0.042 17850 15429 1 18 . 1 1 148 148 GLY N N 148 108.566 108.566 108.361 0.205 17850 15430 1 18 . 1 1 148 148 GLY C C 148 174.394 174.394 175.751 -1.357 17850 15431 1 18 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.785 -0.257 17850 15432 1 18 . 1 1 148 148 GLY H H 148 8.353 8.353 7.967 0.386 17850 15433 1 18 . 1 1 149 149 SER N N 149 115.356 115.356 117.499 -2.143 17850 15434 1 18 . 1 1 149 149 SER HA H 149 4.484 4.484 4.690 -0.206 17850 15435 1 18 . 1 1 149 149 SER C C 149 175.038 175.038 173.097 1.941 17850 15436 1 18 . 1 1 149 149 SER CA C 149 58.418 58.418 57.832 0.586 17850 15437 1 18 . 1 1 149 149 SER CB C 149 64.171 64.171 63.354 0.817 17850 15438 1 18 . 1 1 149 149 SER H H 149 7.993 7.993 7.979 0.014 17850 15439 1 18 . 1 1 150 150 SER N N 150 118.028 118.028 114.235 3.793 17850 15440 1 18 . 1 1 150 150 SER HA H 150 4.490 4.490 4.634 -0.144 17850 15441 1 18 . 1 1 150 150 SER C C 150 175.034 175.034 174.152 0.882 17850 15442 1 18 . 1 1 150 150 SER CA C 150 59.029 59.029 56.731 2.298 17850 15443 1 18 . 1 1 150 150 SER CB C 150 63.407 63.407 64.848 -1.441 17850 15444 1 18 . 1 1 150 150 SER H H 150 8.530 8.530 7.286 1.244 17850 15445 1 19 . 1 1 1 1 GLY N N 1 109.911 109.911 108.838 1.073 17850 15446 1 19 . 1 1 1 1 GLY CA C 1 45.436 45.436 45.867 -0.431 17850 15447 1 19 . 1 1 1 1 GLY H H 1 8.410 8.410 8.232 0.178 17850 15448 1 19 . 1 1 2 2 SER N N 2 115.579 115.579 121.239 -5.660 17850 15449 1 19 . 1 1 2 2 SER HA H 2 4.474 4.474 4.253 0.221 17850 15450 1 19 . 1 1 2 2 SER C C 2 174.661 174.661 174.801 -0.140 17850 15451 1 19 . 1 1 2 2 SER CA C 2 58.374 58.374 58.397 -0.023 17850 15452 1 19 . 1 1 2 2 SER CB C 2 63.986 63.986 63.293 0.693 17850 15453 1 19 . 1 1 2 2 SER H H 2 8.207 8.207 8.632 -0.425 17850 15454 1 19 . 1 1 3 3 SER N N 3 117.154 117.154 113.187 3.967 17850 15455 1 19 . 1 1 3 3 SER HA H 3 4.439 4.439 4.275 0.164 17850 15456 1 19 . 1 1 3 3 SER C C 3 174.122 174.122 172.777 1.345 17850 15457 1 19 . 1 1 3 3 SER CA C 3 58.695 58.695 59.069 -0.374 17850 15458 1 19 . 1 1 3 3 SER CB C 3 63.865 63.865 62.810 1.055 17850 15459 1 19 . 1 1 3 3 SER H H 3 8.337 8.337 8.030 0.307 17850 15460 1 19 . 1 1 4 4 ASN N N 4 120.145 120.145 115.624 4.521 17850 15461 1 19 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.155 -0.429 17850 15462 1 19 . 1 1 4 4 ASN C C 4 174.741 174.741 174.889 -0.148 17850 15463 1 19 . 1 1 4 4 ASN CA C 4 53.326 53.326 51.851 1.475 17850 15464 1 19 . 1 1 4 4 ASN CB C 4 38.802 38.802 39.953 -1.151 17850 15465 1 19 . 1 1 4 4 ASN H H 4 8.432 8.432 7.691 0.741 17850 15466 1 19 . 1 1 5 5 LEU N N 5 121.341 121.341 118.225 3.116 17850 15467 1 19 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.560 0.119 17850 15468 1 19 . 1 1 5 5 LEU C C 5 177.641 177.641 177.721 -0.080 17850 15469 1 19 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.420 2.045 17850 15470 1 19 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.852 -1.139 17850 15471 1 19 . 1 1 5 5 LEU H H 5 7.966 7.966 8.062 -0.096 17850 15472 1 19 . 1 1 6 6 THR N N 6 113.168 113.168 117.415 -4.247 17850 15473 1 19 . 1 1 6 6 THR HA H 6 4.470 4.470 3.913 0.557 17850 15474 1 19 . 1 1 6 6 THR C C 6 175.390 175.390 176.248 -0.858 17850 15475 1 19 . 1 1 6 6 THR CA C 6 60.543 60.543 65.466 -4.923 17850 15476 1 19 . 1 1 6 6 THR CB C 6 71.190 71.190 68.395 2.795 17850 15477 1 19 . 1 1 6 6 THR H H 6 8.716 8.716 8.845 -0.129 17850 15478 1 19 . 1 1 7 7 GLU N N 7 120.480 120.480 119.810 0.670 17850 15479 1 19 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.113 -0.128 17850 15480 1 19 . 1 1 7 7 GLU C C 7 179.475 179.475 179.431 0.044 17850 15481 1 19 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.931 1.142 17850 15482 1 19 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.461 -0.168 17850 15483 1 19 . 1 1 7 7 GLU H H 7 8.997 8.997 7.764 1.233 17850 15484 1 19 . 1 1 8 8 GLU N N 8 119.766 119.766 119.415 0.351 17850 15485 1 19 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.034 0.053 17850 15486 1 19 . 1 1 8 8 GLU C C 8 178.641 178.641 178.967 -0.326 17850 15487 1 19 . 1 1 8 8 GLU CA C 8 59.835 59.835 59.487 0.348 17850 15488 1 19 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.722 -0.324 17850 15489 1 19 . 1 1 8 8 GLU H H 8 8.603 8.603 7.673 0.930 17850 15490 1 19 . 1 1 9 9 GLN N N 9 119.234 119.234 116.217 3.017 17850 15491 1 19 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.415 -0.486 17850 15492 1 19 . 1 1 9 9 GLN C C 9 178.969 178.969 178.010 0.959 17850 15493 1 19 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.242 2.476 17850 15494 1 19 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.586 2.996 17850 15495 1 19 . 1 1 9 9 GLN H H 9 7.730 7.730 8.360 -0.630 17850 15496 1 19 . 1 1 10 10 ILE N N 10 119.661 119.661 118.402 1.259 17850 15497 1 19 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.119 -0.356 17850 15498 1 19 . 1 1 10 10 ILE C C 10 178.040 178.040 177.218 0.822 17850 15499 1 19 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.125 3.096 17850 15500 1 19 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.834 0.118 17850 15501 1 19 . 1 1 10 10 ILE H H 10 8.398 8.398 8.114 0.284 17850 15502 1 19 . 1 1 11 11 ALA N N 11 121.678 121.678 122.828 -1.150 17850 15503 1 19 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.117 0.016 17850 15504 1 19 . 1 1 11 11 ALA C C 11 181.140 181.140 179.910 1.230 17850 15505 1 19 . 1 1 11 11 ALA CA C 11 55.454 55.454 53.919 1.535 17850 15506 1 19 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.806 -0.894 17850 15507 1 19 . 1 1 11 11 ALA H H 11 8.037 8.037 7.750 0.287 17850 15508 1 19 . 1 1 12 12 GLU N N 12 118.175 118.175 118.780 -0.605 17850 15509 1 19 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.253 -0.135 17850 15510 1 19 . 1 1 12 12 GLU C C 12 180.185 180.185 178.893 1.292 17850 15511 1 19 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.505 -0.310 17850 15512 1 19 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.753 0.626 17850 15513 1 19 . 1 1 12 12 GLU H H 12 7.869 7.869 7.650 0.219 17850 15514 1 19 . 1 1 13 13 PHE N N 13 119.011 119.011 118.934 0.077 17850 15515 1 19 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.094 0.796 17850 15516 1 19 . 1 1 13 13 PHE C C 13 178.486 178.486 178.288 0.198 17850 15517 1 19 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.408 -0.959 17850 15518 1 19 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.367 0.531 17850 15519 1 19 . 1 1 13 13 PHE H H 13 8.429 8.429 7.923 0.506 17850 15520 1 19 . 1 1 14 14 LYS N N 14 123.459 123.459 118.569 4.890 17850 15521 1 19 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.149 -0.117 17850 15522 1 19 . 1 1 14 14 LYS C C 14 179.131 179.131 178.832 0.299 17850 15523 1 19 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.535 1.955 17850 15524 1 19 . 1 1 14 14 LYS CB C 14 31.913 31.913 31.823 0.090 17850 15525 1 19 . 1 1 14 14 LYS H H 14 8.925 8.925 8.377 0.548 17850 15526 1 19 . 1 1 15 15 GLU N N 15 119.581 119.581 118.750 0.831 17850 15527 1 19 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.352 -0.184 17850 15528 1 19 . 1 1 15 15 GLU C C 15 179.163 179.163 177.769 1.394 17850 15529 1 19 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.911 0.474 17850 15530 1 19 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.428 -0.041 17850 15531 1 19 . 1 1 15 15 GLU H H 15 8.064 8.064 7.775 0.289 17850 15532 1 19 . 1 1 16 16 ALA N N 16 120.993 120.993 120.895 0.098 17850 15533 1 19 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.352 0.890 17850 15534 1 19 . 1 1 16 16 ALA C C 16 177.628 177.628 178.110 -0.482 17850 15535 1 19 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.474 2.711 17850 15536 1 19 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.664 -1.740 17850 15537 1 19 . 1 1 16 16 ALA H H 16 7.801 7.801 7.700 0.101 17850 15538 1 19 . 1 1 17 17 PHE N N 17 118.745 118.745 119.788 -1.043 17850 15539 1 19 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.318 -0.964 17850 15540 1 19 . 1 1 17 17 PHE C C 17 177.500 177.500 177.031 0.469 17850 15541 1 19 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.082 1.618 17850 15542 1 19 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.113 1.865 17850 15543 1 19 . 1 1 17 17 PHE H H 17 8.469 8.469 7.733 0.736 17850 15544 1 19 . 1 1 18 18 ALA N N 18 119.942 119.942 117.718 2.224 17850 15545 1 19 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.661 0.349 17850 15546 1 19 . 1 1 18 18 ALA C C 18 178.535 178.535 178.365 0.170 17850 15547 1 19 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.298 0.118 17850 15548 1 19 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.181 0.306 17850 15549 1 19 . 1 1 18 18 ALA H H 18 8.187 8.187 7.227 0.960 17850 15550 1 19 . 1 1 19 19 LEU N N 19 116.851 116.851 114.155 2.696 17850 15551 1 19 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.226 -0.266 17850 15552 1 19 . 1 1 19 19 LEU C C 19 176.795 176.795 177.201 -0.406 17850 15553 1 19 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.703 2.732 17850 15554 1 19 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.108 -1.426 17850 15555 1 19 . 1 1 19 19 LEU H H 19 7.254 7.254 7.322 -0.068 17850 15556 1 19 . 1 1 20 20 PHE N N 20 111.977 111.977 121.110 -9.133 17850 15557 1 19 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.098 0.161 17850 15558 1 19 . 1 1 20 20 PHE C C 20 177.033 177.033 176.498 0.535 17850 15559 1 19 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.199 -0.543 17850 15560 1 19 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.925 4.239 17850 15561 1 19 . 1 1 20 20 PHE H H 20 7.041 7.041 7.763 -0.722 17850 15562 1 19 . 1 1 21 21 ASP N N 21 116.981 116.981 125.054 -8.073 17850 15563 1 19 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.413 0.172 17850 15564 1 19 . 1 1 21 21 ASP C C 21 177.297 177.297 177.432 -0.135 17850 15565 1 19 . 1 1 21 21 ASP CA C 21 52.671 52.671 55.755 -3.084 17850 15566 1 19 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.448 -1.446 17850 15567 1 19 . 1 1 21 21 ASP H H 21 7.567 7.567 8.154 -0.587 17850 15568 1 19 . 1 1 22 22 LYS N N 22 124.748 124.748 116.258 8.490 17850 15569 1 19 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.139 -0.147 17850 15570 1 19 . 1 1 22 22 LYS C C 22 177.866 177.866 175.998 1.868 17850 15571 1 19 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.340 1.893 17850 15572 1 19 . 1 1 22 22 LYS CB C 22 32.627 32.627 31.946 0.681 17850 15573 1 19 . 1 1 22 22 LYS H H 22 7.820 7.820 8.086 -0.266 17850 15574 1 19 . 1 1 23 23 ASP N N 23 114.211 114.211 117.514 -3.303 17850 15575 1 19 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.392 0.211 17850 15576 1 19 . 1 1 23 23 ASP C C 23 176.266 176.266 175.708 0.558 17850 15577 1 19 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.854 -2.207 17850 15578 1 19 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.624 -0.341 17850 15579 1 19 . 1 1 23 23 ASP H H 23 8.025 8.025 7.935 0.090 17850 15580 1 19 . 1 1 24 24 ASN N N 24 115.587 115.587 117.414 -1.827 17850 15581 1 19 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.706 -0.317 17850 15582 1 19 . 1 1 24 24 ASN C C 24 174.828 174.828 176.354 -1.526 17850 15583 1 19 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.131 1.376 17850 15584 1 19 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.135 -1.104 17850 15585 1 19 . 1 1 24 24 ASN H H 24 7.962 7.962 8.616 -0.654 17850 15586 1 19 . 1 1 25 25 ASN N N 25 117.385 117.385 118.892 -1.507 17850 15587 1 19 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.618 0.230 17850 15588 1 19 . 1 1 25 25 ASN C C 25 177.553 177.553 174.100 3.453 17850 15589 1 19 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.024 -0.709 17850 15590 1 19 . 1 1 25 25 ASN H H 25 8.489 8.489 8.121 0.368 17850 15591 1 19 . 1 1 26 26 GLY N N 26 113.934 113.934 107.573 6.361 17850 15592 1 19 . 1 1 26 26 GLY C C 26 173.371 173.371 173.515 -0.144 17850 15593 1 19 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.417 0.121 17850 15594 1 19 . 1 1 26 26 GLY H H 26 10.580 10.580 8.184 2.396 17850 15595 1 19 . 1 1 27 27 SER N N 27 113.842 113.842 122.150 -8.308 17850 15596 1 19 . 1 1 27 27 SER HA H 27 5.358 5.358 4.321 1.037 17850 15597 1 19 . 1 1 27 27 SER C C 27 172.645 172.645 174.287 -1.642 17850 15598 1 19 . 1 1 27 27 SER CA C 27 57.474 57.474 58.198 -0.724 17850 15599 1 19 . 1 1 27 27 SER CB C 27 66.576 66.576 63.181 3.395 17850 15600 1 19 . 1 1 27 27 SER H H 27 7.793 7.793 9.123 -1.330 17850 15601 1 19 . 1 1 28 28 ILE N N 28 127.597 127.597 127.966 -0.369 17850 15602 1 19 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.096 0.729 17850 15603 1 19 . 1 1 28 28 ILE C C 28 175.890 175.890 177.340 -1.450 17850 15604 1 19 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.659 -0.483 17850 15605 1 19 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.754 -0.660 17850 15606 1 19 . 1 1 28 28 ILE H H 28 9.787 9.787 9.164 0.623 17850 15607 1 19 . 1 1 29 29 SER N N 29 124.860 124.860 117.402 7.458 17850 15608 1 19 . 1 1 29 29 SER HA H 29 4.813 4.813 4.148 0.665 17850 15609 1 19 . 1 1 29 29 SER C C 29 175.477 175.477 176.625 -1.148 17850 15610 1 19 . 1 1 29 29 SER CA C 29 56.583 56.583 61.479 -4.896 17850 15611 1 19 . 1 1 29 29 SER CB C 29 66.269 66.269 62.580 3.689 17850 15612 1 19 . 1 1 29 29 SER H H 29 9.320 9.320 8.631 0.689 17850 15613 1 19 . 1 1 30 30 SER N N 30 117.383 117.383 117.046 0.337 17850 15614 1 19 . 1 1 30 30 SER HA H 30 4.141 4.141 4.292 -0.151 17850 15615 1 19 . 1 1 30 30 SER C C 30 176.531 176.531 175.494 1.037 17850 15616 1 19 . 1 1 30 30 SER CA C 30 62.690 62.690 60.803 1.887 17850 15617 1 19 . 1 1 30 30 SER CB C 30 62.264 62.264 62.999 -0.735 17850 15618 1 19 . 1 1 30 30 SER H H 30 9.554 9.554 7.766 1.788 17850 15619 1 19 . 1 1 31 31 SER N N 31 116.232 116.232 115.246 0.986 17850 15620 1 19 . 1 1 31 31 SER HA H 31 4.309 4.309 4.357 -0.048 17850 15621 1 19 . 1 1 31 31 SER C C 31 178.017 178.017 176.296 1.721 17850 15622 1 19 . 1 1 31 31 SER CA C 31 61.332 61.332 59.960 1.372 17850 15623 1 19 . 1 1 31 31 SER CB C 31 62.512 62.512 63.767 -1.255 17850 15624 1 19 . 1 1 31 31 SER H H 31 8.141 8.141 7.397 0.744 17850 15625 1 19 . 1 1 32 32 GLU N N 32 125.663 125.663 119.927 5.736 17850 15626 1 19 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.152 -0.099 17850 15627 1 19 . 1 1 32 32 GLU C C 32 179.222 179.222 178.621 0.601 17850 15628 1 19 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.657 0.042 17850 15629 1 19 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.694 -0.442 17850 15630 1 19 . 1 1 32 32 GLU H H 32 7.947 7.947 8.570 -0.623 17850 15631 1 19 . 1 1 33 33 LEU N N 33 120.624 120.624 118.711 1.913 17850 15632 1 19 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.063 0.105 17850 15633 1 19 . 1 1 33 33 LEU C C 33 178.493 178.493 178.570 -0.077 17850 15634 1 19 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.620 1.286 17850 15635 1 19 . 1 1 33 33 LEU CB C 33 42.317 42.317 40.863 1.454 17850 15636 1 19 . 1 1 33 33 LEU H H 33 8.424 8.424 8.136 0.288 17850 15637 1 19 . 1 1 34 34 ALA N N 34 119.635 119.635 121.077 -1.442 17850 15638 1 19 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.028 -0.204 17850 15639 1 19 . 1 1 34 34 ALA C C 34 179.360 179.360 179.176 0.184 17850 15640 1 19 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.191 -0.595 17850 15641 1 19 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.934 -0.257 17850 15642 1 19 . 1 1 34 34 ALA H H 34 8.410 8.410 8.013 0.397 17850 15643 1 19 . 1 1 35 35 THR N N 35 114.602 114.602 116.952 -2.350 17850 15644 1 19 . 1 1 35 35 THR HA H 35 3.886 3.886 3.860 0.026 17850 15645 1 19 . 1 1 35 35 THR C C 35 177.278 177.278 175.938 1.340 17850 15646 1 19 . 1 1 35 35 THR CA C 35 67.317 67.317 66.065 1.252 17850 15647 1 19 . 1 1 35 35 THR CB C 35 68.774 68.774 69.135 -0.361 17850 15648 1 19 . 1 1 35 35 THR H H 35 8.263 8.263 7.939 0.324 17850 15649 1 19 . 1 1 36 36 VAL N N 36 122.295 122.295 117.666 4.629 17850 15650 1 19 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.567 0.038 17850 15651 1 19 . 1 1 36 36 VAL C C 36 178.653 178.653 178.152 0.501 17850 15652 1 19 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.676 0.062 17850 15653 1 19 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.506 -0.203 17850 15654 1 19 . 1 1 36 36 VAL H H 36 7.790 7.790 7.616 0.174 17850 15655 1 19 . 1 1 37 37 MET N N 37 117.677 117.677 116.639 1.038 17850 15656 1 19 . 1 1 37 37 MET HA H 37 3.642 3.642 4.360 -0.718 17850 15657 1 19 . 1 1 37 37 MET C C 37 178.172 178.172 179.132 -0.960 17850 15658 1 19 . 1 1 37 37 MET CA C 37 60.506 60.506 58.076 2.430 17850 15659 1 19 . 1 1 37 37 MET CB C 37 32.347 32.347 31.651 0.696 17850 15660 1 19 . 1 1 37 37 MET H H 37 8.081 8.081 8.099 -0.018 17850 15661 1 19 . 1 1 38 38 ARG N N 38 118.309 118.309 120.654 -2.345 17850 15662 1 19 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.056 0.632 17850 15663 1 19 . 1 1 38 38 ARG C C 38 181.486 181.486 177.152 4.334 17850 15664 1 19 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.552 0.549 17850 15665 1 19 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.932 0.080 17850 15666 1 19 . 1 1 38 38 ARG H H 38 8.547 8.547 8.173 0.374 17850 15667 1 19 . 1 1 39 39 SER N N 39 119.250 119.250 111.490 7.760 17850 15668 1 19 . 1 1 39 39 SER HA H 39 4.301 4.301 4.384 -0.083 17850 15669 1 19 . 1 1 39 39 SER C C 39 174.899 174.899 174.561 0.338 17850 15670 1 19 . 1 1 39 39 SER CA C 39 61.925 61.925 58.749 3.176 17850 15671 1 19 . 1 1 39 39 SER CB C 39 62.773 62.773 63.294 -0.521 17850 15672 1 19 . 1 1 39 39 SER H H 39 8.226 8.226 7.832 0.394 17850 15673 1 19 . 1 1 40 40 LEU N N 40 119.516 119.516 117.174 2.342 17850 15674 1 19 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.012 0.258 17850 15675 1 19 . 1 1 40 40 LEU C C 40 176.681 176.681 176.520 0.161 17850 15676 1 19 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.263 0.320 17850 15677 1 19 . 1 1 40 40 LEU H H 40 7.343 7.343 7.819 -0.476 17850 15678 1 19 . 1 1 41 41 GLY N N 41 105.983 105.983 108.349 -2.366 17850 15679 1 19 . 1 1 41 41 GLY C C 41 174.471 174.471 175.322 -0.851 17850 15680 1 19 . 1 1 41 41 GLY CA C 41 45.239 45.239 45.100 0.139 17850 15681 1 19 . 1 1 41 41 GLY H H 41 7.858 7.858 7.759 0.099 17850 15682 1 19 . 1 1 42 42 LEU N N 42 120.442 120.442 118.571 1.871 17850 15683 1 19 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.475 -0.004 17850 15684 1 19 . 1 1 42 42 LEU C C 42 175.965 175.965 174.478 1.487 17850 15685 1 19 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.720 1.525 17850 15686 1 19 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.581 -0.050 17850 15687 1 19 . 1 1 42 42 LEU H H 42 7.707 7.707 8.282 -0.575 17850 15688 1 19 . 1 1 43 43 SER HA H 43 4.798 4.798 4.471 0.327 17850 15689 1 19 . 1 1 43 43 SER CA C 43 54.912 54.912 57.377 -2.465 17850 15690 1 19 . 1 1 43 43 SER CB C 43 63.197 63.197 62.679 0.518 17850 15691 1 19 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.353 0.439 17850 15692 1 19 . 1 1 44 44 PRO CA C 44 61.881 61.881 63.638 -1.757 17850 15693 1 19 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.468 -0.268 17850 15694 1 19 . 1 1 45 45 SER N N 45 119.898 119.898 121.910 -2.012 17850 15695 1 19 . 1 1 45 45 SER HA H 45 4.611 4.611 3.991 0.620 17850 15696 1 19 . 1 1 45 45 SER C C 45 174.913 174.913 176.611 -1.698 17850 15697 1 19 . 1 1 45 45 SER CA C 45 56.689 56.689 62.212 -5.524 17850 15698 1 19 . 1 1 45 45 SER CB C 45 65.502 65.502 63.440 2.062 17850 15699 1 19 . 1 1 45 45 SER H H 45 9.387 9.387 9.024 0.363 17850 15700 1 19 . 1 1 46 46 GLU N N 46 121.468 121.468 117.761 3.707 17850 15701 1 19 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.057 -0.118 17850 15702 1 19 . 1 1 46 46 GLU C C 46 179.002 179.002 178.918 0.084 17850 15703 1 19 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.593 0.542 17850 15704 1 19 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.784 0.563 17850 15705 1 19 . 1 1 46 46 GLU H H 46 8.913 8.913 8.575 0.338 17850 15706 1 19 . 1 1 47 47 ALA N N 47 121.115 121.115 121.257 -0.142 17850 15707 1 19 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.103 0.049 17850 15708 1 19 . 1 1 47 47 ALA C C 47 179.962 179.962 180.214 -0.252 17850 15709 1 19 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.518 0.600 17850 15710 1 19 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.173 -0.818 17850 15711 1 19 . 1 1 47 47 ALA H H 47 8.324 8.324 7.752 0.572 17850 15712 1 19 . 1 1 48 48 GLU N N 48 118.713 118.713 120.342 -1.629 17850 15713 1 19 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.743 0.361 17850 15714 1 19 . 1 1 48 48 GLU C C 48 179.558 179.558 178.320 1.238 17850 15715 1 19 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.273 -2.055 17850 15716 1 19 . 1 1 48 48 GLU CB C 48 29.904 29.904 29.135 0.769 17850 15717 1 19 . 1 1 48 48 GLU H H 48 7.756 7.756 8.810 -1.054 17850 15718 1 19 . 1 1 49 49 VAL N N 49 119.108 119.108 120.401 -1.293 17850 15719 1 19 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.837 -0.373 17850 15720 1 19 . 1 1 49 49 VAL C C 49 177.505 177.505 177.646 -0.141 17850 15721 1 19 . 1 1 49 49 VAL CA C 49 67.471 67.471 66.158 1.313 17850 15722 1 19 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.825 -0.384 17850 15723 1 19 . 1 1 49 49 VAL H H 49 8.129 8.129 8.168 -0.039 17850 15724 1 19 . 1 1 50 50 ASN N N 50 117.942 117.942 118.035 -0.093 17850 15725 1 19 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.544 -0.156 17850 15726 1 19 . 1 1 50 50 ASN C C 50 177.275 177.275 176.994 0.281 17850 15727 1 19 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.570 1.211 17850 15728 1 19 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.611 -0.214 17850 15729 1 19 . 1 1 50 50 ASN H H 50 8.071 8.071 7.732 0.339 17850 15730 1 19 . 1 1 51 51 ASP N N 51 120.669 120.669 118.506 2.163 17850 15731 1 19 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.591 -0.100 17850 15732 1 19 . 1 1 51 51 ASP C C 51 179.203 179.203 178.148 1.055 17850 15733 1 19 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.420 1.175 17850 15734 1 19 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.078 -0.763 17850 15735 1 19 . 1 1 51 51 ASP H H 51 8.364 8.364 8.239 0.125 17850 15736 1 19 . 1 1 52 52 LEU N N 52 122.409 122.409 118.261 4.148 17850 15737 1 19 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.166 -0.096 17850 15738 1 19 . 1 1 52 52 LEU C C 52 179.017 179.017 177.994 1.023 17850 15739 1 19 . 1 1 52 52 LEU CA C 52 58.457 58.457 58.022 0.436 17850 15740 1 19 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.847 0.234 17850 15741 1 19 . 1 1 52 52 LEU H H 52 8.018 8.018 8.631 -0.613 17850 15742 1 19 . 1 1 53 53 MET N N 53 117.391 117.391 117.600 -0.209 17850 15743 1 19 . 1 1 53 53 MET HA H 53 4.112 4.112 4.383 -0.271 17850 15744 1 19 . 1 1 53 53 MET CA C 53 57.472 57.472 57.888 -0.416 17850 15745 1 19 . 1 1 53 53 MET CB C 53 30.021 30.021 32.952 -2.931 17850 15746 1 19 . 1 1 53 53 MET H H 53 8.562 8.562 8.417 0.145 17850 15747 1 19 . 1 1 54 54 ASN N N 54 115.554 115.554 116.043 -0.489 17850 15748 1 19 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.674 -0.116 17850 15749 1 19 . 1 1 54 54 ASN C C 54 176.801 176.801 175.394 1.407 17850 15750 1 19 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.964 1.333 17850 15751 1 19 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.176 -1.019 17850 15752 1 19 . 1 1 54 54 ASN H H 54 8.204 8.204 7.626 0.578 17850 15753 1 19 . 1 1 55 55 GLU N N 55 117.659 117.659 115.487 2.172 17850 15754 1 19 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.370 -0.168 17850 15755 1 19 . 1 1 55 55 GLU C C 55 177.093 177.093 176.724 0.369 17850 15756 1 19 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.721 2.106 17850 15757 1 19 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.282 -0.262 17850 15758 1 19 . 1 1 55 55 GLU H H 55 7.617 7.617 7.492 0.126 17850 15759 1 19 . 1 1 56 56 ILE N N 56 117.618 117.618 123.378 -5.760 17850 15760 1 19 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.205 -0.321 17850 15761 1 19 . 1 1 56 56 ILE C C 56 176.029 176.029 177.221 -1.192 17850 15762 1 19 . 1 1 56 56 ILE CA C 56 62.814 62.814 63.020 -0.206 17850 15763 1 19 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.246 1.682 17850 15764 1 19 . 1 1 56 56 ILE H H 56 7.472 7.472 8.018 -0.546 17850 15765 1 19 . 1 1 57 57 ASP N N 57 118.636 118.636 125.463 -6.827 17850 15766 1 19 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.578 -0.166 17850 15767 1 19 . 1 1 57 57 ASP C C 57 175.691 175.691 176.264 -0.573 17850 15768 1 19 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.132 -0.599 17850 15769 1 19 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.938 0.307 17850 15770 1 19 . 1 1 57 57 ASP H H 57 8.304 8.304 8.261 0.043 17850 15771 1 19 . 1 1 58 58 VAL N N 58 126.376 126.376 117.492 8.884 17850 15772 1 19 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.154 -0.160 17850 15773 1 19 . 1 1 58 58 VAL C C 58 177.258 177.258 176.688 0.570 17850 15774 1 19 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.861 2.473 17850 15775 1 19 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.360 0.947 17850 15776 1 19 . 1 1 58 58 VAL H H 58 7.926 7.926 7.416 0.510 17850 15777 1 19 . 1 1 59 59 ASP N N 59 117.093 117.093 119.822 -2.729 17850 15778 1 19 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.289 0.268 17850 15779 1 19 . 1 1 59 59 ASP C C 59 177.759 177.759 176.987 0.772 17850 15780 1 19 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.920 -1.044 17850 15781 1 19 . 1 1 59 59 ASP H H 59 8.363 8.363 8.471 -0.108 17850 15782 1 19 . 1 1 60 60 GLY N N 60 108.290 108.290 108.598 -0.308 17850 15783 1 19 . 1 1 60 60 GLY C C 60 174.700 174.700 174.690 0.010 17850 15784 1 19 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.517 3.603 17850 15785 1 19 . 1 1 60 60 GLY H H 60 7.636 7.636 8.906 -1.270 17850 15786 1 19 . 1 1 61 61 ASN N N 61 118.884 118.884 116.864 2.020 17850 15787 1 19 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.257 0.272 17850 15788 1 19 . 1 1 61 61 ASN C C 61 175.856 175.856 173.167 2.689 17850 15789 1 19 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.954 -2.594 17850 15790 1 19 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.899 0.278 17850 15791 1 19 . 1 1 61 61 ASN H H 61 8.078 8.078 8.200 -0.122 17850 15792 1 19 . 1 1 62 62 HIS N N 62 117.381 117.381 111.764 5.617 17850 15793 1 19 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.095 -1.218 17850 15794 1 19 . 1 1 62 62 HIS C C 62 172.310 172.310 172.989 -0.679 17850 15795 1 19 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.331 2.042 17850 15796 1 19 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.757 -9.023 17850 15797 1 19 . 1 1 62 62 HIS H H 62 9.958 9.958 8.260 1.698 17850 15798 1 19 . 1 1 63 63 GLN N N 63 112.906 112.906 116.919 -4.013 17850 15799 1 19 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.879 -0.047 17850 15800 1 19 . 1 1 63 63 GLN C C 63 174.861 174.861 175.405 -0.544 17850 15801 1 19 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.094 -0.219 17850 15802 1 19 . 1 1 63 63 GLN CB C 63 32.150 32.150 31.465 0.686 17850 15803 1 19 . 1 1 63 63 GLN H H 63 7.535 7.535 7.937 -0.402 17850 15804 1 19 . 1 1 64 64 ILE N N 64 124.083 124.083 125.998 -1.915 17850 15805 1 19 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.749 0.323 17850 15806 1 19 . 1 1 64 64 ILE C C 64 176.670 176.670 176.024 0.646 17850 15807 1 19 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.469 0.202 17850 15808 1 19 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.141 -1.974 17850 15809 1 19 . 1 1 64 64 ILE H H 64 9.274 9.274 8.043 1.231 17850 15810 1 19 . 1 1 65 65 GLU N N 65 129.276 129.276 121.245 8.031 17850 15811 1 19 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.689 2.351 17850 15812 1 19 . 1 1 65 65 GLU C C 65 178.156 178.156 176.636 1.520 17850 15813 1 19 . 1 1 65 65 GLU CA C 65 57.848 57.848 58.121 -0.273 17850 15814 1 19 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.375 1.805 17850 15815 1 19 . 1 1 65 65 GLU H H 65 8.848 8.848 8.911 -0.063 17850 15816 1 19 . 1 1 66 66 PHE N N 66 124.260 124.260 119.088 5.172 17850 15817 1 19 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.788 -0.098 17850 15818 1 19 . 1 1 66 66 PHE C C 66 177.294 177.294 177.357 -0.063 17850 15819 1 19 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.361 1.659 17850 15820 1 19 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.794 -0.840 17850 15821 1 19 . 1 1 66 66 PHE H H 66 9.353 9.353 8.066 1.287 17850 15822 1 19 . 1 1 67 67 SER N N 67 112.827 112.827 118.805 -5.978 17850 15823 1 19 . 1 1 67 67 SER HA H 67 3.726 3.726 4.060 -0.334 17850 15824 1 19 . 1 1 67 67 SER C C 67 177.352 177.352 176.637 0.715 17850 15825 1 19 . 1 1 67 67 SER CA C 67 61.581 61.581 60.880 0.701 17850 15826 1 19 . 1 1 67 67 SER CB C 67 61.379 61.379 62.947 -1.568 17850 15827 1 19 . 1 1 67 67 SER H H 67 9.035 9.035 7.905 1.130 17850 15828 1 19 . 1 1 68 68 GLU N N 68 123.071 123.071 119.920 3.151 17850 15829 1 19 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.952 0.183 17850 15830 1 19 . 1 1 68 68 GLU C C 68 178.895 178.895 177.757 1.138 17850 15831 1 19 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.040 -2.062 17850 15832 1 19 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.024 -0.747 17850 15833 1 19 . 1 1 68 68 GLU H H 68 6.829 6.829 8.664 -1.835 17850 15834 1 19 . 1 1 69 69 PHE N N 69 123.805 123.805 116.984 6.821 17850 15835 1 19 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.088 -0.189 17850 15836 1 19 . 1 1 69 69 PHE C C 69 176.325 176.325 176.822 -0.497 17850 15837 1 19 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.424 1.002 17850 15838 1 19 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.828 2.600 17850 15839 1 19 . 1 1 69 69 PHE H H 69 8.245 8.245 7.378 0.867 17850 15840 1 19 . 1 1 70 70 LEU N N 70 119.210 119.210 118.721 0.489 17850 15841 1 19 . 1 1 70 70 LEU HA H 70 3.236 3.236 3.981 -0.745 17850 15842 1 19 . 1 1 70 70 LEU C C 70 179.131 179.131 177.715 1.416 17850 15843 1 19 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.612 0.865 17850 15844 1 19 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.348 -0.020 17850 15845 1 19 . 1 1 70 70 LEU H H 70 8.788 8.788 7.684 1.104 17850 15846 1 19 . 1 1 71 71 ALA N N 71 121.612 121.612 120.912 0.700 17850 15847 1 19 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.023 -0.114 17850 15848 1 19 . 1 1 71 71 ALA C C 71 179.804 179.804 179.595 0.209 17850 15849 1 19 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.543 0.573 17850 15850 1 19 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.909 -1.147 17850 15851 1 19 . 1 1 71 71 ALA H H 71 7.365 7.365 7.489 -0.124 17850 15852 1 19 . 1 1 72 72 LEU N N 72 118.944 118.944 119.724 -0.780 17850 15853 1 19 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.902 0.062 17850 15854 1 19 . 1 1 72 72 LEU C C 72 178.415 178.415 178.986 -0.571 17850 15855 1 19 . 1 1 72 72 LEU CA C 72 57.817 57.817 58.261 -0.444 17850 15856 1 19 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.276 0.192 17850 15857 1 19 . 1 1 72 72 LEU H H 72 7.142 7.142 7.471 -0.329 17850 15858 1 19 . 1 1 73 73 MET N N 73 114.500 114.500 116.913 -2.413 17850 15859 1 19 . 1 1 73 73 MET HA H 73 3.978 3.978 4.290 -0.312 17850 15860 1 19 . 1 1 73 73 MET C C 73 178.283 178.283 176.327 1.956 17850 15861 1 19 . 1 1 73 73 MET CA C 73 55.701 55.701 56.536 -0.835 17850 15862 1 19 . 1 1 73 73 MET CB C 73 30.742 30.742 32.445 -1.703 17850 15863 1 19 . 1 1 73 73 MET H H 73 7.726 7.726 7.510 0.216 17850 15864 1 19 . 1 1 74 74 SER N N 74 112.626 112.626 114.813 -2.187 17850 15865 1 19 . 1 1 74 74 SER HA H 74 4.287 4.287 4.619 -0.332 17850 15866 1 19 . 1 1 74 74 SER C C 74 174.717 174.717 173.368 1.349 17850 15867 1 19 . 1 1 74 74 SER CA C 74 59.582 59.582 57.601 1.981 17850 15868 1 19 . 1 1 74 74 SER CB C 74 63.746 63.746 63.321 0.425 17850 15869 1 19 . 1 1 74 74 SER H H 74 7.857 7.857 7.603 0.254 17850 15870 1 19 . 1 1 75 75 ARG N N 75 122.130 122.130 118.802 3.328 17850 15871 1 19 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.501 -0.354 17850 15872 1 19 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.832 1.943 17850 15873 1 19 . 1 1 75 75 ARG CB C 75 30.666 30.666 32.299 -1.633 17850 15874 1 19 . 1 1 75 75 ARG H H 75 7.208 7.208 7.682 -0.474 17850 15875 1 19 . 1 1 76 76 GLN N N 76 121.749 121.749 118.527 3.222 17850 15876 1 19 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.618 -0.334 17850 15877 1 19 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.657 0.536 17850 15878 1 19 . 1 1 76 76 GLN CB C 76 29.057 29.057 29.892 -0.836 17850 15879 1 19 . 1 1 76 76 GLN H H 76 8.327 8.327 7.873 0.454 17850 15880 1 19 . 1 1 77 77 LEU N N 77 124.093 124.093 124.147 -0.054 17850 15881 1 19 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.484 -0.045 17850 15882 1 19 . 1 1 77 77 LEU C C 77 177.670 177.670 176.874 0.796 17850 15883 1 19 . 1 1 77 77 LEU CA C 77 55.283 55.283 54.904 0.379 17850 15884 1 19 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.465 0.315 17850 15885 1 19 . 1 1 77 77 LEU H H 77 8.264 8.264 8.547 -0.283 17850 15886 1 19 . 1 1 78 78 LYS N N 78 121.053 121.053 120.360 0.693 17850 15887 1 19 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.293 0.114 17850 15888 1 19 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.805 -1.620 17850 15889 1 19 . 1 1 78 78 LYS CB C 78 33.277 33.277 32.993 0.284 17850 15890 1 19 . 1 1 78 78 LYS H H 78 8.433 8.433 8.262 0.171 17850 15891 1 19 . 1 1 79 79 SER N N 79 116.423 116.423 118.476 -2.053 17850 15892 1 19 . 1 1 79 79 SER HA H 79 4.321 4.321 4.546 -0.225 17850 15893 1 19 . 1 1 79 79 SER C C 79 175.145 175.145 174.376 0.769 17850 15894 1 19 . 1 1 79 79 SER CA C 79 59.795 59.795 58.078 1.717 17850 15895 1 19 . 1 1 79 79 SER CB C 79 63.226 63.226 62.069 1.157 17850 15896 1 19 . 1 1 79 79 SER H H 79 8.448 8.448 8.643 -0.195 17850 15897 1 19 . 1 1 80 80 ASN N N 80 119.581 119.581 120.013 -0.432 17850 15898 1 19 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.365 0.334 17850 15899 1 19 . 1 1 80 80 ASN C C 80 175.726 175.726 177.313 -1.587 17850 15900 1 19 . 1 1 80 80 ASN CA C 80 54.413 54.413 56.082 -1.669 17850 15901 1 19 . 1 1 80 80 ASN CB C 80 38.588 38.588 37.301 1.287 17850 15902 1 19 . 1 1 80 80 ASN H H 80 8.513 8.513 8.188 0.325 17850 15903 1 19 . 1 1 81 81 ASP N N 81 120.378 120.378 121.551 -1.173 17850 15904 1 19 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.411 0.219 17850 15905 1 19 . 1 1 81 81 ASP C C 81 177.281 177.281 178.119 -0.838 17850 15906 1 19 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.387 -1.794 17850 15907 1 19 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.253 1.353 17850 15908 1 19 . 1 1 81 81 ASP H H 81 7.957 7.957 8.524 -0.567 17850 15909 1 19 . 1 1 82 82 SER N N 82 117.046 117.046 116.405 0.641 17850 15910 1 19 . 1 1 82 82 SER HA H 82 4.194 4.194 3.915 0.279 17850 15911 1 19 . 1 1 82 82 SER C C 82 176.745 176.745 176.675 0.070 17850 15912 1 19 . 1 1 82 82 SER CA C 82 61.376 61.376 61.641 -0.265 17850 15913 1 19 . 1 1 82 82 SER CB C 82 62.896 62.896 62.799 0.097 17850 15914 1 19 . 1 1 82 82 SER H H 82 8.469 8.469 8.586 -0.117 17850 15915 1 19 . 1 1 83 83 GLU N N 83 122.405 122.405 118.254 4.151 17850 15916 1 19 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.057 0.043 17850 15917 1 19 . 1 1 83 83 GLU C C 83 178.740 178.740 179.060 -0.320 17850 15918 1 19 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.798 -0.333 17850 15919 1 19 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.585 -0.181 17850 15920 1 19 . 1 1 83 83 GLU H H 83 8.357 8.357 8.425 -0.068 17850 15921 1 19 . 1 1 84 84 GLN N N 84 118.604 118.604 118.801 -0.197 17850 15922 1 19 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.133 -0.024 17850 15923 1 19 . 1 1 84 84 GLN C C 84 178.533 178.533 179.039 -0.506 17850 15924 1 19 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.391 0.076 17850 15925 1 19 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.974 0.447 17850 15926 1 19 . 1 1 84 84 GLN H H 84 7.988 7.988 7.870 0.118 17850 15927 1 19 . 1 1 85 85 GLU N N 85 119.418 119.418 120.126 -0.708 17850 15928 1 19 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.324 -0.382 17850 15929 1 19 . 1 1 85 85 GLU C C 85 178.250 178.250 178.959 -0.709 17850 15930 1 19 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.360 0.764 17850 15931 1 19 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.457 0.115 17850 15932 1 19 . 1 1 85 85 GLU H H 85 8.228 8.228 8.463 -0.235 17850 15933 1 19 . 1 1 86 86 LEU N N 86 120.010 120.010 119.148 0.862 17850 15934 1 19 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.244 -0.085 17850 15935 1 19 . 1 1 86 86 LEU C C 86 178.534 178.534 179.002 -0.468 17850 15936 1 19 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.728 -0.521 17850 15937 1 19 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.933 0.693 17850 15938 1 19 . 1 1 86 86 LEU H H 86 7.797 7.797 8.631 -0.834 17850 15939 1 19 . 1 1 87 87 LEU N N 87 119.111 119.111 119.345 -0.234 17850 15940 1 19 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.031 0.073 17850 15941 1 19 . 1 1 87 87 LEU C C 87 179.333 179.333 179.155 0.178 17850 15942 1 19 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.032 0.211 17850 15943 1 19 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.484 0.282 17850 15944 1 19 . 1 1 87 87 LEU H H 87 7.825 7.825 8.861 -1.036 17850 15945 1 19 . 1 1 88 88 GLU N N 88 117.514 117.514 118.289 -0.775 17850 15946 1 19 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.570 -0.469 17850 15947 1 19 . 1 1 88 88 GLU C C 88 179.461 179.461 178.090 1.371 17850 15948 1 19 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.468 0.548 17850 15949 1 19 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.627 -0.957 17850 15950 1 19 . 1 1 88 88 GLU H H 88 8.265 8.265 7.838 0.427 17850 15951 1 19 . 1 1 89 89 ALA N N 89 120.734 120.734 124.701 -3.967 17850 15952 1 19 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.468 0.699 17850 15953 1 19 . 1 1 89 89 ALA C C 89 178.362 178.362 178.343 0.019 17850 15954 1 19 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.468 0.609 17850 15955 1 19 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.144 -1.161 17850 15956 1 19 . 1 1 89 89 ALA H H 89 8.192 8.192 8.342 -0.150 17850 15957 1 19 . 1 1 90 90 PHE N N 90 119.339 119.339 117.795 1.544 17850 15958 1 19 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.949 -0.750 17850 15959 1 19 . 1 1 90 90 PHE C C 90 177.497 177.497 177.337 0.160 17850 15960 1 19 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.054 1.131 17850 15961 1 19 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.231 1.589 17850 15962 1 19 . 1 1 90 90 PHE H H 90 8.685 8.685 8.445 0.240 17850 15963 1 19 . 1 1 91 91 LYS N N 91 116.189 116.189 119.854 -3.665 17850 15964 1 19 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.992 -0.044 17850 15965 1 19 . 1 1 91 91 LYS C C 91 178.236 178.236 178.108 0.128 17850 15966 1 19 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.055 0.459 17850 15967 1 19 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.226 0.645 17850 15968 1 19 . 1 1 91 91 LYS H H 91 8.112 8.112 7.483 0.629 17850 15969 1 19 . 1 1 92 92 VAL N N 92 117.696 117.696 116.967 0.729 17850 15970 1 19 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.852 -0.280 17850 15971 1 19 . 1 1 92 92 VAL C C 92 176.545 176.545 176.773 -0.228 17850 15972 1 19 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.932 0.640 17850 15973 1 19 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.153 -0.727 17850 15974 1 19 . 1 1 92 92 VAL H H 92 7.383 7.383 7.762 -0.379 17850 15975 1 19 . 1 1 93 93 PHE N N 93 114.826 114.826 117.678 -2.852 17850 15976 1 19 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.626 -0.399 17850 15977 1 19 . 1 1 93 93 PHE C C 93 176.417 176.417 176.324 0.093 17850 15978 1 19 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.872 0.728 17850 15979 1 19 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.859 2.337 17850 15980 1 19 . 1 1 93 93 PHE H H 93 7.116 7.116 7.915 -0.799 17850 15981 1 19 . 1 1 94 94 ASP N N 94 116.753 116.753 124.921 -8.168 17850 15982 1 19 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.515 0.016 17850 15983 1 19 . 1 1 94 94 ASP C C 94 177.305 177.305 177.034 0.271 17850 15984 1 19 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.304 -2.833 17850 15985 1 19 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.420 -1.579 17850 15986 1 19 . 1 1 94 94 ASP H H 94 7.849 7.849 8.210 -0.361 17850 15987 1 19 . 1 1 95 95 LYS N N 95 125.185 125.185 119.379 5.806 17850 15988 1 19 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.170 -0.167 17850 15989 1 19 . 1 1 95 95 LYS C C 95 178.261 178.261 176.994 1.267 17850 15990 1 19 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.770 1.307 17850 15991 1 19 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.445 -1.255 17850 15992 1 19 . 1 1 95 95 LYS H H 95 7.755 7.755 7.803 -0.048 17850 15993 1 19 . 1 1 96 96 ASN N N 96 112.542 112.542 119.824 -7.282 17850 15994 1 19 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.374 0.411 17850 15995 1 19 . 1 1 96 96 ASN C C 96 176.469 176.469 174.468 2.001 17850 15996 1 19 . 1 1 96 96 ASN CA C 96 51.862 51.862 52.990 -1.128 17850 15997 1 19 . 1 1 96 96 ASN H H 96 8.069 8.069 8.072 -0.003 17850 15998 1 19 . 1 1 97 97 GLY N N 97 109.956 109.956 110.797 -0.841 17850 15999 1 19 . 1 1 97 97 GLY C C 97 175.032 175.032 175.751 -0.719 17850 16000 1 19 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.324 3.384 17850 16001 1 19 . 1 1 97 97 GLY H H 97 7.686 7.686 8.834 -1.148 17850 16002 1 19 . 1 1 98 98 ASP N N 98 119.383 119.383 120.314 -0.931 17850 16003 1 19 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.328 0.225 17850 16004 1 19 . 1 1 98 98 ASP C C 98 177.274 177.274 174.650 2.624 17850 16005 1 19 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.975 -1.641 17850 16006 1 19 . 1 1 98 98 ASP H H 98 8.249 8.249 8.094 0.155 17850 16007 1 19 . 1 1 99 99 GLY N N 99 112.398 112.398 105.498 6.900 17850 16008 1 19 . 1 1 99 99 GLY C C 99 173.128 173.128 174.021 -0.893 17850 16009 1 19 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.762 1.967 17850 16010 1 19 . 1 1 99 99 GLY H H 99 10.390 10.390 8.048 2.342 17850 16011 1 19 . 1 1 100 100 LEU N N 100 120.803 120.803 125.451 -4.648 17850 16012 1 19 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.680 0.585 17850 16013 1 19 . 1 1 100 100 LEU C C 100 176.427 176.427 177.324 -0.897 17850 16014 1 19 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.112 -2.336 17850 16015 1 19 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.657 4.544 17850 16016 1 19 . 1 1 100 100 LEU H H 100 7.987 7.987 9.033 -1.046 17850 16017 1 19 . 1 1 101 101 ILE N N 101 125.286 125.286 127.682 -2.396 17850 16018 1 19 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.336 0.386 17850 16019 1 19 . 1 1 101 101 ILE C C 101 175.432 175.432 177.075 -1.643 17850 16020 1 19 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.946 -0.697 17850 16021 1 19 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.559 -0.495 17850 16022 1 19 . 1 1 101 101 ILE H H 101 9.698 9.698 8.230 1.468 17850 16023 1 19 . 1 1 102 102 SER N N 102 123.133 123.133 117.950 5.183 17850 16024 1 19 . 1 1 102 102 SER HA H 102 4.969 4.969 4.095 0.874 17850 16025 1 19 . 1 1 102 102 SER C C 102 175.298 175.298 175.961 -0.663 17850 16026 1 19 . 1 1 102 102 SER CA C 102 55.994 55.994 61.889 -5.895 17850 16027 1 19 . 1 1 102 102 SER CB C 102 66.456 66.456 62.385 4.071 17850 16028 1 19 . 1 1 102 102 SER H H 102 9.095 9.095 8.945 0.150 17850 16029 1 19 . 1 1 103 103 ALA N N 103 122.886 122.886 122.267 0.619 17850 16030 1 19 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.811 0.078 17850 16031 1 19 . 1 1 103 103 ALA C C 103 179.237 179.237 179.679 -0.442 17850 16032 1 19 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.353 0.729 17850 16033 1 19 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.815 0.242 17850 16034 1 19 . 1 1 103 103 ALA H H 103 8.691 8.691 8.648 0.043 17850 16035 1 19 . 1 1 104 104 ALA N N 104 118.317 118.317 120.475 -2.158 17850 16036 1 19 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.635 0.440 17850 16037 1 19 . 1 1 104 104 ALA C C 104 181.451 181.451 178.919 2.532 17850 16038 1 19 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.592 0.693 17850 16039 1 19 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.381 0.054 17850 16040 1 19 . 1 1 104 104 ALA H H 104 8.392 8.392 8.204 0.188 17850 16041 1 19 . 1 1 105 105 GLU N N 105 120.398 120.398 117.844 2.554 17850 16042 1 19 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.655 -0.595 17850 16043 1 19 . 1 1 105 105 GLU C C 105 179.223 179.223 177.569 1.654 17850 16044 1 19 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.395 0.068 17850 16045 1 19 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.071 -0.920 17850 16046 1 19 . 1 1 105 105 GLU H H 105 7.879 7.879 8.324 -0.445 17850 16047 1 19 . 1 1 106 106 LEU N N 106 120.023 120.023 120.468 -0.445 17850 16048 1 19 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.885 0.278 17850 16049 1 19 . 1 1 106 106 LEU C C 106 178.503 178.503 178.758 -0.255 17850 16050 1 19 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.621 0.068 17850 16051 1 19 . 1 1 106 106 LEU CB C 106 42.287 42.287 41.086 1.201 17850 16052 1 19 . 1 1 106 106 LEU H H 106 8.479 8.479 8.749 -0.270 17850 16053 1 19 . 1 1 107 107 LYS N N 107 117.064 117.064 120.521 -3.457 17850 16054 1 19 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.973 -0.155 17850 16055 1 19 . 1 1 107 107 LYS C C 107 179.039 179.039 178.922 0.117 17850 16056 1 19 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.227 1.081 17850 16057 1 19 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.218 0.672 17850 16058 1 19 . 1 1 107 107 LYS H H 107 8.758 8.758 8.631 0.127 17850 16059 1 19 . 1 1 108 108 HIS N N 108 119.125 119.125 118.789 0.336 17850 16060 1 19 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.629 0.687 17850 16061 1 19 . 1 1 108 108 HIS C C 108 178.394 178.394 177.428 0.966 17850 16062 1 19 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.745 0.442 17850 16063 1 19 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.907 1.585 17850 16064 1 19 . 1 1 108 108 HIS H H 108 8.287 8.287 7.744 0.543 17850 16065 1 19 . 1 1 109 109 VAL N N 109 119.525 119.525 119.485 0.040 17850 16066 1 19 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.793 -0.308 17850 16067 1 19 . 1 1 109 109 VAL C C 109 178.246 178.246 178.374 -0.128 17850 16068 1 19 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.518 1.192 17850 16069 1 19 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.258 1.314 17850 16070 1 19 . 1 1 109 109 VAL H H 109 7.915 7.915 8.675 -0.760 17850 16071 1 19 . 1 1 110 110 LEU N N 110 117.403 117.403 119.176 -1.773 17850 16072 1 19 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.552 -0.573 17850 16073 1 19 . 1 1 110 110 LEU C C 110 178.968 178.968 177.904 1.064 17850 16074 1 19 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.460 0.758 17850 16075 1 19 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.623 -1.095 17850 16076 1 19 . 1 1 110 110 LEU H H 110 8.269 8.269 8.323 -0.054 17850 16077 1 19 . 1 1 111 111 THR N N 111 114.122 114.122 114.283 -0.161 17850 16078 1 19 . 1 1 111 111 THR HA H 111 4.184 4.184 4.143 0.041 17850 16079 1 19 . 1 1 111 111 THR C C 111 178.534 178.534 174.476 4.058 17850 16080 1 19 . 1 1 111 111 THR CA C 111 66.252 66.252 63.310 2.942 17850 16081 1 19 . 1 1 111 111 THR CB C 111 68.851 68.851 68.760 0.091 17850 16082 1 19 . 1 1 111 111 THR H H 111 8.441 8.441 7.801 0.640 17850 16083 1 19 . 1 1 112 112 SER N N 112 119.981 119.981 106.299 13.682 17850 16084 1 19 . 1 1 112 112 SER HA H 112 4.215 4.215 4.662 -0.447 17850 16085 1 19 . 1 1 112 112 SER C C 112 175.523 175.523 174.327 1.196 17850 16086 1 19 . 1 1 112 112 SER CA C 112 62.197 62.197 58.279 3.918 17850 16087 1 19 . 1 1 112 112 SER CB C 112 62.936 62.936 65.162 -2.225 17850 16088 1 19 . 1 1 112 112 SER H H 112 7.910 7.910 7.183 0.727 17850 16089 1 19 . 1 1 113 113 ILE N N 113 112.726 112.726 118.924 -6.198 17850 16090 1 19 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.892 0.592 17850 16091 1 19 . 1 1 113 113 ILE C C 113 175.636 175.636 175.793 -0.157 17850 16092 1 19 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.410 -0.655 17850 16093 1 19 . 1 1 113 113 ILE H H 113 7.473 7.473 7.512 -0.039 17850 16094 1 19 . 1 1 114 114 GLY N N 114 108.354 108.354 110.563 -2.209 17850 16095 1 19 . 1 1 114 114 GLY C C 114 174.583 174.583 173.617 0.966 17850 16096 1 19 . 1 1 114 114 GLY CA C 114 45.850 45.850 46.238 -0.388 17850 16097 1 19 . 1 1 114 114 GLY H H 114 7.652 7.652 7.935 -0.283 17850 16098 1 19 . 1 1 115 115 GLU N N 115 120.283 120.283 117.819 2.464 17850 16099 1 19 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.799 -0.494 17850 16100 1 19 . 1 1 115 115 GLU C C 115 175.444 175.444 175.007 0.437 17850 16101 1 19 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.698 -0.566 17850 16102 1 19 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.974 -0.724 17850 16103 1 19 . 1 1 115 115 GLU H H 115 8.045 8.045 8.492 -0.447 17850 16104 1 19 . 1 1 116 116 LYS N N 116 124.370 124.370 125.534 -1.164 17850 16105 1 19 . 1 1 116 116 LYS HA H 116 4.422 4.422 5.088 -0.666 17850 16106 1 19 . 1 1 116 116 LYS C C 116 175.287 175.287 176.656 -1.369 17850 16107 1 19 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.144 0.491 17850 16108 1 19 . 1 1 116 116 LYS CB C 116 32.142 32.142 36.083 -3.941 17850 16109 1 19 . 1 1 116 116 LYS H H 116 8.571 8.571 8.521 0.050 17850 16110 1 19 . 1 1 117 117 LEU N N 117 125.492 125.492 120.989 4.503 17850 16111 1 19 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.345 0.439 17850 16112 1 19 . 1 1 117 117 LEU C C 117 177.161 177.161 177.510 -0.349 17850 16113 1 19 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.739 0.494 17850 16114 1 19 . 1 1 117 117 LEU CB C 117 44.998 44.998 44.148 0.850 17850 16115 1 19 . 1 1 117 117 LEU H H 117 8.042 8.042 8.338 -0.296 17850 16116 1 19 . 1 1 118 118 THR N N 118 113.255 113.255 116.291 -3.036 17850 16117 1 19 . 1 1 118 118 THR HA H 118 4.497 4.497 4.004 0.493 17850 16118 1 19 . 1 1 118 118 THR C C 118 175.335 175.335 175.764 -0.429 17850 16119 1 19 . 1 1 118 118 THR CA C 118 60.434 60.434 65.644 -5.210 17850 16120 1 19 . 1 1 118 118 THR CB C 118 71.193 71.193 68.806 2.387 17850 16121 1 19 . 1 1 118 118 THR H H 118 8.995 8.995 8.769 0.226 17850 16122 1 19 . 1 1 119 119 ASP N N 119 120.837 120.837 118.053 2.784 17850 16123 1 19 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.638 -0.406 17850 16124 1 19 . 1 1 119 119 ASP C C 119 178.422 178.422 177.769 0.653 17850 16125 1 19 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.217 1.880 17850 16126 1 19 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.508 -0.533 17850 16127 1 19 . 1 1 119 119 ASP H H 119 8.743 8.743 7.687 1.056 17850 16128 1 19 . 1 1 120 120 ALA N N 120 121.309 121.309 122.032 -0.723 17850 16129 1 19 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.154 0.012 17850 16130 1 19 . 1 1 120 120 ALA C C 120 179.796 179.796 179.957 -0.161 17850 16131 1 19 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.608 0.420 17850 16132 1 19 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.360 -1.040 17850 16133 1 19 . 1 1 120 120 ALA H H 120 8.304 8.304 7.406 0.898 17850 16134 1 19 . 1 1 121 121 GLU N N 121 118.068 118.068 120.440 -2.372 17850 16135 1 19 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.961 0.096 17850 16136 1 19 . 1 1 121 121 GLU C C 121 180.035 180.035 177.235 2.800 17850 16137 1 19 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.690 -1.452 17850 16138 1 19 . 1 1 121 121 GLU CB C 121 30.429 30.429 30.032 0.397 17850 16139 1 19 . 1 1 121 121 GLU H H 121 7.705 7.705 8.799 -1.094 17850 16140 1 19 . 1 1 122 122 VAL N N 122 120.636 120.636 117.547 3.089 17850 16141 1 19 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.789 -0.252 17850 16142 1 19 . 1 1 122 122 VAL C C 122 177.120 177.120 177.107 0.013 17850 16143 1 19 . 1 1 122 122 VAL CA C 122 67.042 67.042 66.041 1.001 17850 16144 1 19 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.768 -0.376 17850 16145 1 19 . 1 1 122 122 VAL H H 122 7.935 7.935 7.661 0.274 17850 16146 1 19 . 1 1 123 123 ASP N N 123 120.336 120.336 118.043 2.293 17850 16147 1 19 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.496 -0.193 17850 16148 1 19 . 1 1 123 123 ASP C C 123 179.023 179.023 177.836 1.187 17850 16149 1 19 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.413 1.530 17850 16150 1 19 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.062 -0.391 17850 16151 1 19 . 1 1 123 123 ASP H H 123 8.204 8.204 7.335 0.869 17850 16152 1 19 . 1 1 124 124 ASP N N 124 118.890 118.890 121.978 -3.088 17850 16153 1 19 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.295 0.045 17850 16154 1 19 . 1 1 124 124 ASP C C 124 178.527 178.527 178.764 -0.237 17850 16155 1 19 . 1 1 124 124 ASP CA C 124 57.523 57.523 56.912 0.611 17850 16156 1 19 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.828 -0.008 17850 16157 1 19 . 1 1 124 124 ASP H H 124 8.272 8.272 8.036 0.236 17850 16158 1 19 . 1 1 125 125 MET N N 125 119.365 119.365 117.858 1.507 17850 16159 1 19 . 1 1 125 125 MET HA H 125 4.091 4.091 4.076 0.015 17850 16160 1 19 . 1 1 125 125 MET C C 125 178.021 178.021 178.077 -0.056 17850 16161 1 19 . 1 1 125 125 MET CA C 125 59.205 59.205 58.325 0.880 17850 16162 1 19 . 1 1 125 125 MET CB C 125 33.281 33.281 31.765 1.516 17850 16163 1 19 . 1 1 125 125 MET H H 125 7.750 7.750 8.617 -0.867 17850 16164 1 19 . 1 1 126 126 LEU N N 126 117.193 117.193 117.969 -0.776 17850 16165 1 19 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.982 -0.058 17850 16166 1 19 . 1 1 126 126 LEU C C 126 180.267 180.267 179.383 0.884 17850 16167 1 19 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.597 0.205 17850 16168 1 19 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.340 0.274 17850 16169 1 19 . 1 1 126 126 LEU H H 126 8.152 8.152 7.721 0.431 17850 16170 1 19 . 1 1 127 127 ARG N N 127 120.792 120.792 118.106 2.686 17850 16171 1 19 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.040 0.001 17850 16172 1 19 . 1 1 127 127 ARG C C 127 178.027 178.027 177.864 0.163 17850 16173 1 19 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.718 0.563 17850 16174 1 19 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.443 -0.444 17850 16175 1 19 . 1 1 127 127 ARG H H 127 8.335 8.335 7.565 0.770 17850 16176 1 19 . 1 1 128 128 GLU N N 128 117.142 117.142 109.823 7.319 17850 16177 1 19 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.701 -0.595 17850 16178 1 19 . 1 1 128 128 GLU C C 128 178.618 178.618 176.179 2.439 17850 16179 1 19 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.701 3.504 17850 16180 1 19 . 1 1 128 128 GLU CB C 128 30.394 30.394 31.296 -0.902 17850 16181 1 19 . 1 1 128 128 GLU H H 128 7.667 7.667 8.180 -0.513 17850 16182 1 19 . 1 1 129 129 VAL N N 129 108.345 108.345 119.014 -10.669 17850 16183 1 19 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.145 0.342 17850 16184 1 19 . 1 1 129 129 VAL C C 129 175.591 175.591 176.638 -1.047 17850 16185 1 19 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.230 -0.568 17850 16186 1 19 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.097 -0.089 17850 16187 1 19 . 1 1 129 129 VAL H H 129 7.470 7.470 7.929 -0.459 17850 16188 1 19 . 1 1 130 130 SER N N 130 115.012 115.012 118.014 -3.002 17850 16189 1 19 . 1 1 130 130 SER HA H 130 4.670 4.670 4.111 0.559 17850 16190 1 19 . 1 1 130 130 SER C C 130 174.414 174.414 174.233 0.181 17850 16191 1 19 . 1 1 130 130 SER CA C 130 58.067 58.067 59.775 -1.708 17850 16192 1 19 . 1 1 130 130 SER CB C 130 65.814 65.814 61.999 3.814 17850 16193 1 19 . 1 1 130 130 SER H H 130 7.858 7.858 7.727 0.131 17850 16194 1 19 . 1 1 131 131 ASP N N 131 120.972 120.972 115.862 5.110 17850 16195 1 19 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.250 0.316 17850 16196 1 19 . 1 1 131 131 ASP C C 131 176.676 176.676 176.040 0.636 17850 16197 1 19 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.680 0.103 17850 16198 1 19 . 1 1 131 131 ASP H H 131 8.478 8.478 8.000 0.478 17850 16199 1 19 . 1 1 132 132 GLY N N 132 105.512 105.512 108.196 -2.684 17850 16200 1 19 . 1 1 132 132 GLY C C 132 174.924 174.924 175.824 -0.900 17850 16201 1 19 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.859 -1.189 17850 16202 1 19 . 1 1 132 132 GLY H H 132 8.352 8.352 7.898 0.454 17850 16203 1 19 . 1 1 133 133 SER N N 133 116.718 116.718 113.497 3.221 17850 16204 1 19 . 1 1 133 133 SER HA H 133 4.435 4.435 4.393 0.042 17850 16205 1 19 . 1 1 133 133 SER C C 133 175.404 175.404 172.456 2.948 17850 16206 1 19 . 1 1 133 133 SER CA C 133 59.340 59.340 58.218 1.122 17850 16207 1 19 . 1 1 133 133 SER H H 133 8.104 8.104 8.648 -0.544 17850 16208 1 19 . 1 1 134 134 GLY N N 134 109.601 109.601 106.677 2.924 17850 16209 1 19 . 1 1 134 134 GLY C C 134 172.547 172.547 172.551 -0.004 17850 16210 1 19 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.090 2.733 17850 16211 1 19 . 1 1 134 134 GLY H H 134 8.555 8.555 7.733 0.822 17850 16212 1 19 . 1 1 135 135 GLU N N 135 117.166 117.166 115.104 2.062 17850 16213 1 19 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.874 0.153 17850 16214 1 19 . 1 1 135 135 GLU C C 135 175.280 175.280 174.548 0.732 17850 16215 1 19 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.769 -0.034 17850 16216 1 19 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.621 0.253 17850 16217 1 19 . 1 1 135 135 GLU H H 135 7.641 7.641 8.061 -0.420 17850 16218 1 19 . 1 1 136 136 ILE N N 136 114.256 114.256 125.821 -11.565 17850 16219 1 19 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.915 0.161 17850 16220 1 19 . 1 1 136 136 ILE C C 136 175.228 175.228 177.237 -2.009 17850 16221 1 19 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.689 -0.291 17850 16222 1 19 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.273 2.378 17850 16223 1 19 . 1 1 136 136 ILE H H 136 8.565 8.565 8.383 0.182 17850 16224 1 19 . 1 1 137 137 ASN N N 137 121.842 121.842 118.432 3.410 17850 16225 1 19 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.900 1.365 17850 16226 1 19 . 1 1 137 137 ASN C C 137 176.835 176.835 176.124 0.711 17850 16227 1 19 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.676 -3.649 17850 16228 1 19 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.742 1.970 17850 16229 1 19 . 1 1 137 137 ASN H H 137 8.767 8.767 8.629 0.138 17850 16230 1 19 . 1 1 138 138 ILE N N 138 118.075 118.075 117.760 0.315 17850 16231 1 19 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.956 -0.204 17850 16232 1 19 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.085 0.687 17850 16233 1 19 . 1 1 138 138 ILE CB C 138 37.553 37.553 37.196 0.357 17850 16234 1 19 . 1 1 138 138 ILE H H 138 8.418 8.418 8.396 0.022 17850 16235 1 19 . 1 1 139 139 GLN N N 139 122.926 122.926 119.720 3.206 17850 16236 1 19 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.079 0.047 17850 16237 1 19 . 1 1 139 139 GLN C C 139 179.886 179.886 178.801 1.085 17850 16238 1 19 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.698 0.888 17850 16239 1 19 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.556 -0.771 17850 16240 1 19 . 1 1 139 139 GLN H H 139 7.632 7.632 7.919 -0.287 17850 16241 1 19 . 1 1 140 140 GLN N N 140 121.813 121.813 121.015 0.798 17850 16242 1 19 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.826 0.335 17850 16243 1 19 . 1 1 140 140 GLN C C 140 178.284 178.284 177.439 0.845 17850 16244 1 19 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.877 -0.661 17850 16245 1 19 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.410 0.028 17850 16246 1 19 . 1 1 140 140 GLN H H 140 8.416 8.416 8.935 -0.519 17850 16247 1 19 . 1 1 141 141 PHE N N 141 121.732 121.732 118.068 3.664 17850 16248 1 19 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.716 0.436 17850 16249 1 19 . 1 1 141 141 PHE C C 141 176.273 176.273 176.476 -0.203 17850 16250 1 19 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.179 0.781 17850 16251 1 19 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.062 2.000 17850 16252 1 19 . 1 1 141 141 PHE H H 141 9.030 9.030 8.176 0.854 17850 16253 1 19 . 1 1 142 142 ALA N N 142 119.852 119.852 120.523 -0.671 17850 16254 1 19 . 1 1 142 142 ALA HA H 142 3.803 3.803 4.026 -0.223 17850 16255 1 19 . 1 1 142 142 ALA C C 142 180.733 180.733 178.608 2.125 17850 16256 1 19 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.455 0.756 17850 16257 1 19 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.250 -0.348 17850 16258 1 19 . 1 1 142 142 ALA H H 142 8.399 8.399 7.914 0.485 17850 16259 1 19 . 1 1 143 143 ALA N N 143 120.555 120.555 118.559 1.996 17850 16260 1 19 . 1 1 143 143 ALA HA H 143 4.114 4.114 4.317 -0.203 17850 16261 1 19 . 1 1 143 143 ALA C C 143 180.455 180.455 180.182 0.273 17850 16262 1 19 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.585 0.428 17850 16263 1 19 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.385 -1.536 17850 16264 1 19 . 1 1 143 143 ALA H H 143 7.627 7.627 7.300 0.327 17850 16265 1 19 . 1 1 144 144 LEU N N 144 121.054 121.054 115.828 5.226 17850 16266 1 19 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.027 -0.094 17850 16267 1 19 . 1 1 144 144 LEU C C 144 177.756 177.756 177.582 0.174 17850 16268 1 19 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.319 1.377 17850 16269 1 19 . 1 1 144 144 LEU CB C 144 41.838 41.838 40.947 0.891 17850 16270 1 19 . 1 1 144 144 LEU H H 144 8.029 8.029 7.291 0.738 17850 16271 1 19 . 1 1 145 145 LEU N N 145 115.288 115.288 118.389 -3.101 17850 16272 1 19 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.325 -0.352 17850 16273 1 19 . 1 1 145 145 LEU C C 145 177.284 177.284 175.920 1.364 17850 16274 1 19 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.370 0.914 17850 16275 1 19 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.656 -1.046 17850 16276 1 19 . 1 1 145 145 LEU H H 145 7.309 7.309 7.811 -0.502 17850 16277 1 19 . 1 1 146 146 SER N N 146 114.503 114.503 115.692 -1.189 17850 16278 1 19 . 1 1 146 146 SER HA H 146 4.346 4.346 4.570 -0.224 17850 16279 1 19 . 1 1 146 146 SER C C 146 175.125 175.125 172.337 2.788 17850 16280 1 19 . 1 1 146 146 SER CA C 146 59.046 59.046 58.587 0.459 17850 16281 1 19 . 1 1 146 146 SER CB C 146 64.181 64.181 65.865 -1.684 17850 16282 1 19 . 1 1 146 146 SER H H 146 7.506 7.506 7.460 0.046 17850 16283 1 19 . 1 1 147 147 LYS N N 147 123.315 123.315 121.371 1.944 17850 16284 1 19 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.741 -0.574 17850 16285 1 19 . 1 1 147 147 LYS CA C 147 57.682 57.682 54.339 3.343 17850 16286 1 19 . 1 1 147 147 LYS H H 147 8.329 8.329 8.054 0.275 17850 16287 1 19 . 1 1 148 148 GLY N N 148 108.566 108.566 108.644 -0.078 17850 16288 1 19 . 1 1 148 148 GLY C C 148 174.394 174.394 175.014 -0.620 17850 16289 1 19 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.084 0.444 17850 16290 1 19 . 1 1 148 148 GLY H H 148 8.353 8.353 8.515 -0.162 17850 16291 1 19 . 1 1 149 149 SER N N 149 115.356 115.356 118.525 -3.169 17850 16292 1 19 . 1 1 149 149 SER HA H 149 4.484 4.484 4.155 0.329 17850 16293 1 19 . 1 1 149 149 SER C C 149 175.038 175.038 173.845 1.193 17850 16294 1 19 . 1 1 149 149 SER CA C 149 58.418 58.418 58.851 -0.433 17850 16295 1 19 . 1 1 149 149 SER CB C 149 64.171 64.171 62.594 1.577 17850 16296 1 19 . 1 1 149 149 SER H H 149 7.993 7.993 8.937 -0.944 17850 16297 1 19 . 1 1 150 150 SER N N 150 118.028 118.028 114.111 3.917 17850 16298 1 19 . 1 1 150 150 SER HA H 150 4.490 4.490 4.464 0.026 17850 16299 1 19 . 1 1 150 150 SER C C 150 175.034 175.034 174.259 0.775 17850 16300 1 19 . 1 1 150 150 SER CA C 150 59.029 59.029 57.977 1.052 17850 16301 1 19 . 1 1 150 150 SER CB C 150 63.407 63.407 62.939 0.468 17850 16302 1 19 . 1 1 150 150 SER H H 150 8.530 8.530 7.888 0.642 17850 16303 1 20 . 1 1 1 1 GLY N N 1 109.911 109.911 106.250 3.661 17850 16304 1 20 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.378 1.058 17850 16305 1 20 . 1 1 1 1 GLY H H 1 8.410 8.410 7.662 0.748 17850 16306 1 20 . 1 1 2 2 SER N N 2 115.579 115.579 116.096 -0.517 17850 16307 1 20 . 1 1 2 2 SER HA H 2 4.474 4.474 4.457 0.017 17850 16308 1 20 . 1 1 2 2 SER C C 2 174.661 174.661 173.968 0.693 17850 16309 1 20 . 1 1 2 2 SER CA C 2 58.374 58.374 58.155 0.219 17850 16310 1 20 . 1 1 2 2 SER CB C 2 63.986 63.986 64.492 -0.506 17850 16311 1 20 . 1 1 2 2 SER H H 2 8.207 8.207 8.251 -0.044 17850 16312 1 20 . 1 1 3 3 SER N N 3 117.154 117.154 113.845 3.309 17850 16313 1 20 . 1 1 3 3 SER HA H 3 4.439 4.439 4.349 0.090 17850 16314 1 20 . 1 1 3 3 SER C C 3 174.122 174.122 172.960 1.162 17850 16315 1 20 . 1 1 3 3 SER CA C 3 58.695 58.695 58.681 0.014 17850 16316 1 20 . 1 1 3 3 SER CB C 3 63.865 63.865 62.634 1.231 17850 16317 1 20 . 1 1 3 3 SER H H 3 8.337 8.337 8.232 0.105 17850 16318 1 20 . 1 1 4 4 ASN N N 4 120.145 120.145 115.252 4.893 17850 16319 1 20 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.026 -0.300 17850 16320 1 20 . 1 1 4 4 ASN C C 4 174.741 174.741 175.359 -0.618 17850 16321 1 20 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.120 1.206 17850 16322 1 20 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.245 -1.443 17850 16323 1 20 . 1 1 4 4 ASN H H 4 8.432 8.432 7.912 0.520 17850 16324 1 20 . 1 1 5 5 LEU N N 5 121.341 121.341 117.688 3.653 17850 16325 1 20 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.597 0.082 17850 16326 1 20 . 1 1 5 5 LEU C C 5 177.641 177.641 177.613 0.028 17850 16327 1 20 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.341 2.124 17850 16328 1 20 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.959 -1.246 17850 16329 1 20 . 1 1 5 5 LEU H H 5 7.966 7.966 7.706 0.260 17850 16330 1 20 . 1 1 6 6 THR N N 6 113.168 113.168 116.976 -3.808 17850 16331 1 20 . 1 1 6 6 THR HA H 6 4.470 4.470 3.891 0.579 17850 16332 1 20 . 1 1 6 6 THR C C 6 175.390 175.390 176.315 -0.925 17850 16333 1 20 . 1 1 6 6 THR CA C 6 60.543 60.543 65.319 -4.776 17850 16334 1 20 . 1 1 6 6 THR CB C 6 71.190 71.190 68.413 2.777 17850 16335 1 20 . 1 1 6 6 THR H H 6 8.716 8.716 8.911 -0.195 17850 16336 1 20 . 1 1 7 7 GLU N N 7 120.480 120.480 119.976 0.504 17850 16337 1 20 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.135 -0.150 17850 16338 1 20 . 1 1 7 7 GLU C C 7 179.475 179.475 179.458 0.017 17850 16339 1 20 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.811 1.262 17850 16340 1 20 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.494 -0.201 17850 16341 1 20 . 1 1 7 7 GLU H H 7 8.997 8.997 7.702 1.295 17850 16342 1 20 . 1 1 8 8 GLU N N 8 119.766 119.766 119.085 0.681 17850 16343 1 20 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.080 0.007 17850 16344 1 20 . 1 1 8 8 GLU C C 8 178.641 178.641 179.331 -0.690 17850 16345 1 20 . 1 1 8 8 GLU CA C 8 59.835 59.835 59.487 0.348 17850 16346 1 20 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.607 -0.209 17850 16347 1 20 . 1 1 8 8 GLU H H 8 8.603 8.603 7.720 0.883 17850 16348 1 20 . 1 1 9 9 GLN N N 9 119.234 119.234 117.967 1.267 17850 16349 1 20 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.343 -0.414 17850 16350 1 20 . 1 1 9 9 GLN C C 9 178.969 178.969 177.787 1.182 17850 16351 1 20 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.372 2.346 17850 16352 1 20 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.437 3.145 17850 16353 1 20 . 1 1 9 9 GLN H H 9 7.730 7.730 8.324 -0.594 17850 16354 1 20 . 1 1 10 10 ILE N N 10 119.661 119.661 118.428 1.233 17850 16355 1 20 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.112 -0.349 17850 16356 1 20 . 1 1 10 10 ILE C C 10 178.040 178.040 176.952 1.088 17850 16357 1 20 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.409 2.812 17850 16358 1 20 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.416 0.536 17850 16359 1 20 . 1 1 10 10 ILE H H 10 8.398 8.398 8.115 0.283 17850 16360 1 20 . 1 1 11 11 ALA N N 11 121.678 121.678 121.241 0.437 17850 16361 1 20 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.161 -0.028 17850 16362 1 20 . 1 1 11 11 ALA C C 11 181.140 181.140 179.884 1.256 17850 16363 1 20 . 1 1 11 11 ALA CA C 11 55.454 55.454 53.886 1.568 17850 16364 1 20 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.949 -1.037 17850 16365 1 20 . 1 1 11 11 ALA H H 11 8.037 8.037 7.614 0.423 17850 16366 1 20 . 1 1 12 12 GLU N N 12 118.175 118.175 119.463 -1.288 17850 16367 1 20 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.170 -0.052 17850 16368 1 20 . 1 1 12 12 GLU C C 12 180.185 180.185 178.649 1.536 17850 16369 1 20 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.524 -0.329 17850 16370 1 20 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.947 0.432 17850 16371 1 20 . 1 1 12 12 GLU H H 12 7.869 7.869 7.825 0.044 17850 16372 1 20 . 1 1 13 13 PHE N N 13 119.011 119.011 118.930 0.081 17850 16373 1 20 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.036 0.854 17850 16374 1 20 . 1 1 13 13 PHE C C 13 178.486 178.486 177.833 0.653 17850 16375 1 20 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.285 -0.836 17850 16376 1 20 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.233 0.666 17850 16377 1 20 . 1 1 13 13 PHE H H 13 8.429 8.429 7.838 0.591 17850 16378 1 20 . 1 1 14 14 LYS N N 14 123.459 123.459 119.169 4.290 17850 16379 1 20 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.161 -0.129 17850 16380 1 20 . 1 1 14 14 LYS C C 14 179.131 179.131 178.558 0.573 17850 16381 1 20 . 1 1 14 14 LYS CA C 14 60.490 60.490 59.066 1.423 17850 16382 1 20 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.148 -0.235 17850 16383 1 20 . 1 1 14 14 LYS H H 14 8.925 8.925 8.362 0.563 17850 16384 1 20 . 1 1 15 15 GLU N N 15 119.581 119.581 118.857 0.724 17850 16385 1 20 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.299 -0.131 17850 16386 1 20 . 1 1 15 15 GLU C C 15 179.163 179.163 178.207 0.956 17850 16387 1 20 . 1 1 15 15 GLU CA C 15 59.385 59.385 59.000 0.385 17850 16388 1 20 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.237 0.150 17850 16389 1 20 . 1 1 15 15 GLU H H 15 8.064 8.064 8.633 -0.569 17850 16390 1 20 . 1 1 16 16 ALA N N 16 120.993 120.993 121.226 -0.233 17850 16391 1 20 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.229 1.013 17850 16392 1 20 . 1 1 16 16 ALA C C 16 177.628 177.628 178.162 -0.534 17850 16393 1 20 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.890 2.295 17850 16394 1 20 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.428 -1.504 17850 16395 1 20 . 1 1 16 16 ALA H H 16 7.801 7.801 8.090 -0.289 17850 16396 1 20 . 1 1 17 17 PHE N N 17 118.745 118.745 119.763 -1.018 17850 16397 1 20 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.225 -0.871 17850 16398 1 20 . 1 1 17 17 PHE C C 17 177.500 177.500 177.307 0.193 17850 16399 1 20 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.227 1.473 17850 16400 1 20 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.025 1.953 17850 16401 1 20 . 1 1 17 17 PHE H H 17 8.469 8.469 7.827 0.642 17850 16402 1 20 . 1 1 18 18 ALA N N 18 119.942 119.942 118.376 1.566 17850 16403 1 20 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.619 0.391 17850 16404 1 20 . 1 1 18 18 ALA C C 18 178.535 178.535 178.975 -0.440 17850 16405 1 20 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.483 -0.067 17850 16406 1 20 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.148 0.339 17850 16407 1 20 . 1 1 18 18 ALA H H 18 8.187 8.187 7.205 0.982 17850 16408 1 20 . 1 1 19 19 LEU N N 19 116.851 116.851 115.208 1.643 17850 16409 1 20 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.158 -0.198 17850 16410 1 20 . 1 1 19 19 LEU C C 19 176.795 176.795 177.423 -0.628 17850 16411 1 20 . 1 1 19 19 LEU CA C 19 57.435 57.435 55.053 2.381 17850 16412 1 20 . 1 1 19 19 LEU CB C 19 41.682 41.682 42.584 -0.902 17850 16413 1 20 . 1 1 19 19 LEU H H 19 7.254 7.254 7.333 -0.079 17850 16414 1 20 . 1 1 20 20 PHE N N 20 111.977 111.977 120.690 -8.713 17850 16415 1 20 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.117 0.142 17850 16416 1 20 . 1 1 20 20 PHE C C 20 177.033 177.033 176.558 0.475 17850 16417 1 20 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.094 -0.438 17850 16418 1 20 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.707 4.457 17850 16419 1 20 . 1 1 20 20 PHE H H 20 7.041 7.041 7.650 -0.609 17850 16420 1 20 . 1 1 21 21 ASP N N 21 116.981 116.981 124.247 -7.266 17850 16421 1 20 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.389 0.196 17850 16422 1 20 . 1 1 21 21 ASP C C 21 177.297 177.297 177.094 0.203 17850 16423 1 20 . 1 1 21 21 ASP CA C 21 52.671 52.671 55.945 -3.274 17850 16424 1 20 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.358 -1.356 17850 16425 1 20 . 1 1 21 21 ASP H H 21 7.567 7.567 8.099 -0.532 17850 16426 1 20 . 1 1 22 22 LYS N N 22 124.748 124.748 115.527 9.221 17850 16427 1 20 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.138 -0.146 17850 16428 1 20 . 1 1 22 22 LYS C C 22 177.866 177.866 175.622 2.244 17850 16429 1 20 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.218 2.015 17850 16430 1 20 . 1 1 22 22 LYS CB C 22 32.627 32.627 31.858 0.769 17850 16431 1 20 . 1 1 22 22 LYS H H 22 7.820 7.820 8.232 -0.412 17850 16432 1 20 . 1 1 23 23 ASP N N 23 114.211 114.211 117.977 -3.766 17850 16433 1 20 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.374 0.229 17850 16434 1 20 . 1 1 23 23 ASP C C 23 176.266 176.266 175.810 0.456 17850 16435 1 20 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.858 -2.211 17850 16436 1 20 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.684 -0.401 17850 16437 1 20 . 1 1 23 23 ASP H H 23 8.025 8.025 8.168 -0.143 17850 16438 1 20 . 1 1 24 24 ASN N N 24 115.587 115.587 117.850 -2.263 17850 16439 1 20 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.714 -0.325 17850 16440 1 20 . 1 1 24 24 ASN C C 24 174.828 174.828 176.326 -1.498 17850 16441 1 20 . 1 1 24 24 ASN CA C 24 54.507 54.507 53.114 1.393 17850 16442 1 20 . 1 1 24 24 ASN CB C 24 38.031 38.031 39.200 -1.169 17850 16443 1 20 . 1 1 24 24 ASN H H 24 7.962 7.962 8.504 -0.542 17850 16444 1 20 . 1 1 25 25 ASN N N 25 117.385 117.385 119.289 -1.904 17850 16445 1 20 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.626 0.222 17850 16446 1 20 . 1 1 25 25 ASN C C 25 177.553 177.553 173.977 3.576 17850 16447 1 20 . 1 1 25 25 ASN CA C 25 52.315 52.315 52.912 -0.597 17850 16448 1 20 . 1 1 25 25 ASN H H 25 8.489 8.489 8.027 0.462 17850 16449 1 20 . 1 1 26 26 GLY N N 26 113.934 113.934 106.175 7.759 17850 16450 1 20 . 1 1 26 26 GLY C C 26 173.371 173.371 173.870 -0.499 17850 16451 1 20 . 1 1 26 26 GLY CA C 26 45.538 45.538 44.678 0.860 17850 16452 1 20 . 1 1 26 26 GLY H H 26 10.580 10.580 8.174 2.406 17850 16453 1 20 . 1 1 27 27 SER N N 27 113.842 113.842 122.236 -8.394 17850 16454 1 20 . 1 1 27 27 SER HA H 27 5.358 5.358 4.877 0.481 17850 16455 1 20 . 1 1 27 27 SER C C 27 172.645 172.645 175.140 -2.495 17850 16456 1 20 . 1 1 27 27 SER CA C 27 57.474 57.474 57.672 -0.198 17850 16457 1 20 . 1 1 27 27 SER CB C 27 66.576 66.576 63.706 2.870 17850 16458 1 20 . 1 1 27 27 SER H H 27 7.793 7.793 8.949 -1.156 17850 16459 1 20 . 1 1 28 28 ILE N N 28 127.597 127.597 127.911 -0.314 17850 16460 1 20 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.149 0.676 17850 16461 1 20 . 1 1 28 28 ILE C C 28 175.890 175.890 177.190 -1.300 17850 16462 1 20 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.164 0.012 17850 16463 1 20 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.889 -0.794 17850 16464 1 20 . 1 1 28 28 ILE H H 28 9.787 9.787 8.907 0.880 17850 16465 1 20 . 1 1 29 29 SER N N 29 124.860 124.860 118.320 6.540 17850 16466 1 20 . 1 1 29 29 SER HA H 29 4.813 4.813 4.083 0.730 17850 16467 1 20 . 1 1 29 29 SER C C 29 175.477 175.477 176.803 -1.326 17850 16468 1 20 . 1 1 29 29 SER CA C 29 56.583 56.583 60.686 -4.103 17850 16469 1 20 . 1 1 29 29 SER CB C 29 66.269 66.269 62.942 3.327 17850 16470 1 20 . 1 1 29 29 SER H H 29 9.320 9.320 8.714 0.606 17850 16471 1 20 . 1 1 30 30 SER N N 30 117.383 117.383 116.318 1.065 17850 16472 1 20 . 1 1 30 30 SER HA H 30 4.141 4.141 4.255 -0.114 17850 16473 1 20 . 1 1 30 30 SER C C 30 176.531 176.531 175.472 1.059 17850 16474 1 20 . 1 1 30 30 SER CA C 30 62.690 62.690 60.912 1.778 17850 16475 1 20 . 1 1 30 30 SER CB C 30 62.264 62.264 63.163 -0.899 17850 16476 1 20 . 1 1 30 30 SER H H 30 9.554 9.554 7.830 1.724 17850 16477 1 20 . 1 1 31 31 SER N N 31 116.232 116.232 116.428 -0.196 17850 16478 1 20 . 1 1 31 31 SER HA H 31 4.309 4.309 4.260 0.049 17850 16479 1 20 . 1 1 31 31 SER C C 31 178.017 178.017 176.643 1.374 17850 16480 1 20 . 1 1 31 31 SER CA C 31 61.332 61.332 60.106 1.226 17850 16481 1 20 . 1 1 31 31 SER CB C 31 62.512 62.512 63.569 -1.058 17850 16482 1 20 . 1 1 31 31 SER H H 31 8.141 8.141 7.737 0.404 17850 16483 1 20 . 1 1 32 32 GLU N N 32 125.663 125.663 119.988 5.675 17850 16484 1 20 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.011 0.042 17850 16485 1 20 . 1 1 32 32 GLU C C 32 179.222 179.222 177.900 1.322 17850 16486 1 20 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.670 0.029 17850 16487 1 20 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.609 -0.357 17850 16488 1 20 . 1 1 32 32 GLU H H 32 7.947 7.947 8.609 -0.662 17850 16489 1 20 . 1 1 33 33 LEU N N 33 120.624 120.624 116.373 4.251 17850 16490 1 20 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.099 0.069 17850 16491 1 20 . 1 1 33 33 LEU C C 33 178.493 178.493 178.819 -0.326 17850 16492 1 20 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.490 1.417 17850 16493 1 20 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.050 1.267 17850 16494 1 20 . 1 1 33 33 LEU H H 33 8.424 8.424 8.192 0.232 17850 16495 1 20 . 1 1 34 34 ALA N N 34 119.635 119.635 122.129 -2.494 17850 16496 1 20 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.121 -0.297 17850 16497 1 20 . 1 1 34 34 ALA C C 34 179.360 179.360 178.768 0.592 17850 16498 1 20 . 1 1 34 34 ALA CA C 34 55.596 55.596 56.089 -0.493 17850 16499 1 20 . 1 1 34 34 ALA CB C 34 18.677 18.677 19.241 -0.564 17850 16500 1 20 . 1 1 34 34 ALA H H 34 8.410 8.410 7.845 0.565 17850 16501 1 20 . 1 1 35 35 THR N N 35 114.602 114.602 116.744 -2.142 17850 16502 1 20 . 1 1 35 35 THR HA H 35 3.886 3.886 3.980 -0.094 17850 16503 1 20 . 1 1 35 35 THR C C 35 177.278 177.278 176.024 1.254 17850 16504 1 20 . 1 1 35 35 THR CA C 35 67.317 67.317 65.639 1.678 17850 16505 1 20 . 1 1 35 35 THR CB C 35 68.774 68.774 69.245 -0.471 17850 16506 1 20 . 1 1 35 35 THR H H 35 8.263 8.263 7.932 0.331 17850 16507 1 20 . 1 1 36 36 VAL N N 36 122.295 122.295 117.545 4.750 17850 16508 1 20 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.586 0.019 17850 16509 1 20 . 1 1 36 36 VAL C C 36 178.653 178.653 178.034 0.619 17850 16510 1 20 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.841 -0.103 17850 16511 1 20 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.438 -0.135 17850 16512 1 20 . 1 1 36 36 VAL H H 36 7.790 7.790 8.072 -0.282 17850 16513 1 20 . 1 1 37 37 MET N N 37 117.677 117.677 116.647 1.030 17850 16514 1 20 . 1 1 37 37 MET HA H 37 3.642 3.642 4.344 -0.702 17850 16515 1 20 . 1 1 37 37 MET C C 37 178.172 178.172 178.960 -0.788 17850 16516 1 20 . 1 1 37 37 MET CA C 37 60.506 60.506 58.248 2.258 17850 16517 1 20 . 1 1 37 37 MET CB C 37 32.347 32.347 31.738 0.609 17850 16518 1 20 . 1 1 37 37 MET H H 37 8.081 8.081 7.781 0.300 17850 16519 1 20 . 1 1 38 38 ARG N N 38 118.309 118.309 120.790 -2.481 17850 16520 1 20 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.111 0.577 17850 16521 1 20 . 1 1 38 38 ARG C C 38 181.486 181.486 177.247 4.239 17850 16522 1 20 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.663 0.438 17850 16523 1 20 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.433 0.579 17850 16524 1 20 . 1 1 38 38 ARG H H 38 8.547 8.547 7.563 0.984 17850 16525 1 20 . 1 1 39 39 SER N N 39 119.250 119.250 110.278 8.972 17850 16526 1 20 . 1 1 39 39 SER HA H 39 4.301 4.301 4.254 0.047 17850 16527 1 20 . 1 1 39 39 SER C C 39 174.899 174.899 174.731 0.168 17850 16528 1 20 . 1 1 39 39 SER CA C 39 61.925 61.925 58.947 2.978 17850 16529 1 20 . 1 1 39 39 SER CB C 39 62.773 62.773 63.500 -0.727 17850 16530 1 20 . 1 1 39 39 SER H H 39 8.226 8.226 7.672 0.554 17850 16531 1 20 . 1 1 40 40 LEU N N 40 119.516 119.516 117.259 2.257 17850 16532 1 20 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.038 0.232 17850 16533 1 20 . 1 1 40 40 LEU C C 40 176.681 176.681 176.422 0.259 17850 16534 1 20 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.454 0.129 17850 16535 1 20 . 1 1 40 40 LEU H H 40 7.343 7.343 7.665 -0.322 17850 16536 1 20 . 1 1 41 41 GLY N N 41 105.983 105.983 108.110 -2.127 17850 16537 1 20 . 1 1 41 41 GLY C C 41 174.471 174.471 174.976 -0.505 17850 16538 1 20 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.334 0.904 17850 16539 1 20 . 1 1 41 41 GLY H H 41 7.858 7.858 7.787 0.071 17850 16540 1 20 . 1 1 42 42 LEU N N 42 120.442 120.442 118.858 1.584 17850 16541 1 20 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.487 -0.016 17850 16542 1 20 . 1 1 42 42 LEU C C 42 175.965 175.965 174.374 1.591 17850 16543 1 20 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.775 1.470 17850 16544 1 20 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.337 0.194 17850 16545 1 20 . 1 1 42 42 LEU H H 42 7.707 7.707 8.131 -0.424 17850 16546 1 20 . 1 1 43 43 SER HA H 43 4.798 4.798 4.704 0.094 17850 16547 1 20 . 1 1 43 43 SER CA C 43 54.912 54.912 57.410 -2.498 17850 16548 1 20 . 1 1 43 43 SER CB C 43 63.197 63.197 63.508 -0.311 17850 16549 1 20 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.358 0.434 17850 16550 1 20 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.993 -1.112 17850 16551 1 20 . 1 1 44 44 PRO CB C 44 32.200 32.200 32.988 -0.788 17850 16552 1 20 . 1 1 45 45 SER N N 45 119.898 119.898 121.620 -1.722 17850 16553 1 20 . 1 1 45 45 SER HA H 45 4.611 4.611 4.033 0.578 17850 16554 1 20 . 1 1 45 45 SER C C 45 174.913 174.913 176.235 -1.322 17850 16555 1 20 . 1 1 45 45 SER CA C 45 56.689 56.689 61.734 -5.045 17850 16556 1 20 . 1 1 45 45 SER CB C 45 65.502 65.502 63.377 2.125 17850 16557 1 20 . 1 1 45 45 SER H H 45 9.387 9.387 9.049 0.338 17850 16558 1 20 . 1 1 46 46 GLU N N 46 121.468 121.468 118.179 3.289 17850 16559 1 20 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.098 -0.159 17850 16560 1 20 . 1 1 46 46 GLU C C 46 179.002 179.002 178.747 0.255 17850 16561 1 20 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.467 0.668 17850 16562 1 20 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.997 0.350 17850 16563 1 20 . 1 1 46 46 GLU H H 46 8.913 8.913 8.501 0.412 17850 16564 1 20 . 1 1 47 47 ALA N N 47 121.115 121.115 121.819 -0.704 17850 16565 1 20 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.127 0.025 17850 16566 1 20 . 1 1 47 47 ALA C C 47 179.962 179.962 180.223 -0.261 17850 16567 1 20 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.610 0.508 17850 16568 1 20 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.088 -0.733 17850 16569 1 20 . 1 1 47 47 ALA H H 47 8.324 8.324 8.039 0.285 17850 16570 1 20 . 1 1 48 48 GLU N N 48 118.713 118.713 119.856 -1.143 17850 16571 1 20 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.871 0.233 17850 16572 1 20 . 1 1 48 48 GLU C C 48 179.558 179.558 178.404 1.154 17850 16573 1 20 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.124 -1.906 17850 16574 1 20 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.855 1.048 17850 16575 1 20 . 1 1 48 48 GLU H H 48 7.756 7.756 8.858 -1.102 17850 16576 1 20 . 1 1 49 49 VAL N N 49 119.108 119.108 119.912 -0.804 17850 16577 1 20 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.887 -0.423 17850 16578 1 20 . 1 1 49 49 VAL C C 49 177.505 177.505 178.421 -0.916 17850 16579 1 20 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.176 2.295 17850 16580 1 20 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.232 0.209 17850 16581 1 20 . 1 1 49 49 VAL H H 49 8.129 8.129 7.798 0.331 17850 16582 1 20 . 1 1 50 50 ASN N N 50 117.942 117.942 118.140 -0.198 17850 16583 1 20 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.502 -0.114 17850 16584 1 20 . 1 1 50 50 ASN C C 50 177.275 177.275 177.132 0.143 17850 16585 1 20 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.849 0.932 17850 16586 1 20 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.359 0.037 17850 16587 1 20 . 1 1 50 50 ASN H H 50 8.071 8.071 7.735 0.336 17850 16588 1 20 . 1 1 51 51 ASP N N 51 120.669 120.669 118.837 1.832 17850 16589 1 20 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.603 -0.112 17850 16590 1 20 . 1 1 51 51 ASP C C 51 179.203 179.203 177.965 1.238 17850 16591 1 20 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.169 1.426 17850 16592 1 20 . 1 1 51 51 ASP CB C 51 40.314 40.314 40.906 -0.592 17850 16593 1 20 . 1 1 51 51 ASP H H 51 8.364 8.364 8.256 0.108 17850 16594 1 20 . 1 1 52 52 LEU N N 52 122.409 122.409 117.458 4.951 17850 16595 1 20 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.134 -0.064 17850 16596 1 20 . 1 1 52 52 LEU C C 52 179.017 179.017 177.599 1.418 17850 16597 1 20 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.701 0.756 17850 16598 1 20 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.515 0.566 17850 16599 1 20 . 1 1 52 52 LEU H H 52 8.018 8.018 8.556 -0.538 17850 16600 1 20 . 1 1 53 53 MET N N 53 117.391 117.391 118.986 -1.595 17850 16601 1 20 . 1 1 53 53 MET HA H 53 4.112 4.112 4.448 -0.336 17850 16602 1 20 . 1 1 53 53 MET CA C 53 57.472 57.472 57.721 -0.249 17850 16603 1 20 . 1 1 53 53 MET CB C 53 30.021 30.021 33.212 -3.191 17850 16604 1 20 . 1 1 53 53 MET H H 53 8.562 8.562 8.470 0.092 17850 16605 1 20 . 1 1 54 54 ASN N N 54 115.554 115.554 116.238 -0.684 17850 16606 1 20 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.704 -0.146 17850 16607 1 20 . 1 1 54 54 ASN C C 54 176.801 176.801 175.389 1.412 17850 16608 1 20 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.508 1.790 17850 16609 1 20 . 1 1 54 54 ASN CB C 54 38.157 38.157 38.770 -0.613 17850 16610 1 20 . 1 1 54 54 ASN H H 54 8.204 8.204 7.640 0.564 17850 16611 1 20 . 1 1 55 55 GLU N N 55 117.659 117.659 114.634 3.025 17850 16612 1 20 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.428 -0.226 17850 16613 1 20 . 1 1 55 55 GLU C C 55 177.093 177.093 177.130 -0.037 17850 16614 1 20 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.447 2.380 17850 16615 1 20 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.517 -0.497 17850 16616 1 20 . 1 1 55 55 GLU H H 55 7.617 7.617 7.286 0.331 17850 16617 1 20 . 1 1 56 56 ILE N N 56 117.618 117.618 123.455 -5.837 17850 16618 1 20 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.273 -0.389 17850 16619 1 20 . 1 1 56 56 ILE C C 56 176.029 176.029 176.863 -0.834 17850 16620 1 20 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.886 -0.072 17850 16621 1 20 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.408 1.520 17850 16622 1 20 . 1 1 56 56 ILE H H 56 7.472 7.472 7.929 -0.457 17850 16623 1 20 . 1 1 57 57 ASP N N 57 118.636 118.636 125.278 -6.642 17850 16624 1 20 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.615 -0.203 17850 16625 1 20 . 1 1 57 57 ASP C C 57 175.691 175.691 176.215 -0.524 17850 16626 1 20 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.012 -0.479 17850 16627 1 20 . 1 1 57 57 ASP CB C 57 41.245 41.245 40.665 0.580 17850 16628 1 20 . 1 1 57 57 ASP H H 57 8.304 8.304 9.034 -0.730 17850 16629 1 20 . 1 1 58 58 VAL N N 58 126.376 126.376 117.763 8.613 17850 16630 1 20 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.133 -0.139 17850 16631 1 20 . 1 1 58 58 VAL C C 58 177.258 177.258 177.019 0.239 17850 16632 1 20 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.899 2.435 17850 16633 1 20 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.378 0.929 17850 16634 1 20 . 1 1 58 58 VAL H H 58 7.926 7.926 7.425 0.501 17850 16635 1 20 . 1 1 59 59 ASP N N 59 117.093 117.093 120.145 -3.052 17850 16636 1 20 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.258 0.299 17850 16637 1 20 . 1 1 59 59 ASP C C 59 177.759 177.759 176.762 0.997 17850 16638 1 20 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.887 -1.011 17850 16639 1 20 . 1 1 59 59 ASP H H 59 8.363 8.363 8.440 -0.077 17850 16640 1 20 . 1 1 60 60 GLY N N 60 108.290 108.290 108.515 -0.225 17850 16641 1 20 . 1 1 60 60 GLY C C 60 174.700 174.700 174.671 0.029 17850 16642 1 20 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.674 3.446 17850 16643 1 20 . 1 1 60 60 GLY H H 60 7.636 7.636 8.861 -1.225 17850 16644 1 20 . 1 1 61 61 ASN N N 61 118.884 118.884 116.731 2.153 17850 16645 1 20 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.291 0.238 17850 16646 1 20 . 1 1 61 61 ASN C C 61 175.856 175.856 173.070 2.786 17850 16647 1 20 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.899 -2.539 17850 16648 1 20 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.923 0.253 17850 16649 1 20 . 1 1 61 61 ASN H H 61 8.078 8.078 8.126 -0.048 17850 16650 1 20 . 1 1 62 62 HIS N N 62 117.381 117.381 111.513 5.868 17850 16651 1 20 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.045 -1.168 17850 16652 1 20 . 1 1 62 62 HIS C C 62 172.310 172.310 173.549 -1.239 17850 16653 1 20 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.239 2.134 17850 16654 1 20 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.503 -8.769 17850 16655 1 20 . 1 1 62 62 HIS H H 62 9.958 9.958 8.270 1.688 17850 16656 1 20 . 1 1 63 63 GLN N N 63 112.906 112.906 118.849 -5.943 17850 16657 1 20 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.974 -0.142 17850 16658 1 20 . 1 1 63 63 GLN C C 63 174.861 174.861 175.550 -0.689 17850 16659 1 20 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.221 -0.346 17850 16660 1 20 . 1 1 63 63 GLN CB C 63 32.150 32.150 31.223 0.927 17850 16661 1 20 . 1 1 63 63 GLN H H 63 7.535 7.535 8.129 -0.594 17850 16662 1 20 . 1 1 64 64 ILE N N 64 124.083 124.083 126.759 -2.676 17850 16663 1 20 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.826 0.246 17850 16664 1 20 . 1 1 64 64 ILE C C 64 176.670 176.670 176.039 0.631 17850 16665 1 20 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.319 0.352 17850 16666 1 20 . 1 1 64 64 ILE CB C 64 39.167 39.167 41.270 -2.103 17850 16667 1 20 . 1 1 64 64 ILE H H 64 9.274 9.274 8.222 1.052 17850 16668 1 20 . 1 1 65 65 GLU N N 65 129.276 129.276 120.740 8.536 17850 16669 1 20 . 1 1 65 65 GLU HA H 65 5.040 5.040 3.026 2.014 17850 16670 1 20 . 1 1 65 65 GLU C C 65 178.156 178.156 176.677 1.479 17850 16671 1 20 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.441 0.407 17850 16672 1 20 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.606 1.574 17850 16673 1 20 . 1 1 65 65 GLU H H 65 8.848 8.848 9.141 -0.293 17850 16674 1 20 . 1 1 66 66 PHE N N 66 124.260 124.260 118.158 6.102 17850 16675 1 20 . 1 1 66 66 PHE HA H 66 3.690 3.690 4.016 -0.326 17850 16676 1 20 . 1 1 66 66 PHE C C 66 177.294 177.294 176.540 0.754 17850 16677 1 20 . 1 1 66 66 PHE CA C 66 62.020 62.020 59.698 2.322 17850 16678 1 20 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.944 -0.990 17850 16679 1 20 . 1 1 66 66 PHE H H 66 9.353 9.353 8.023 1.330 17850 16680 1 20 . 1 1 67 67 SER N N 67 112.827 112.827 116.391 -3.564 17850 16681 1 20 . 1 1 67 67 SER HA H 67 3.726 3.726 4.231 -0.505 17850 16682 1 20 . 1 1 67 67 SER C C 67 177.352 177.352 176.033 1.319 17850 16683 1 20 . 1 1 67 67 SER CA C 67 61.581 61.581 60.362 1.219 17850 16684 1 20 . 1 1 67 67 SER CB C 67 61.379 61.379 63.057 -1.678 17850 16685 1 20 . 1 1 67 67 SER H H 67 9.035 9.035 7.820 1.215 17850 16686 1 20 . 1 1 68 68 GLU N N 68 123.071 123.071 120.905 2.166 17850 16687 1 20 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.946 0.189 17850 16688 1 20 . 1 1 68 68 GLU C C 68 178.895 178.895 178.055 0.840 17850 16689 1 20 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.259 -2.281 17850 16690 1 20 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.261 -0.984 17850 16691 1 20 . 1 1 68 68 GLU H H 68 6.829 6.829 8.750 -1.921 17850 16692 1 20 . 1 1 69 69 PHE N N 69 123.805 123.805 116.409 7.396 17850 16693 1 20 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.024 -0.125 17850 16694 1 20 . 1 1 69 69 PHE C C 69 176.325 176.325 176.356 -0.031 17850 16695 1 20 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.359 1.067 17850 16696 1 20 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.403 3.025 17850 16697 1 20 . 1 1 69 69 PHE H H 69 8.245 8.245 7.612 0.633 17850 16698 1 20 . 1 1 70 70 LEU N N 70 119.210 119.210 116.911 2.299 17850 16699 1 20 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.039 -0.803 17850 16700 1 20 . 1 1 70 70 LEU C C 70 179.131 179.131 177.851 1.280 17850 16701 1 20 . 1 1 70 70 LEU CA C 70 57.477 57.477 55.881 1.596 17850 16702 1 20 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.339 -0.011 17850 16703 1 20 . 1 1 70 70 LEU H H 70 8.788 8.788 7.128 1.660 17850 16704 1 20 . 1 1 71 71 ALA N N 71 121.612 121.612 121.711 -0.099 17850 16705 1 20 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.035 -0.126 17850 16706 1 20 . 1 1 71 71 ALA C C 71 179.804 179.804 179.362 0.442 17850 16707 1 20 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.564 0.552 17850 16708 1 20 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.971 -1.209 17850 16709 1 20 . 1 1 71 71 ALA H H 71 7.365 7.365 7.306 0.059 17850 16710 1 20 . 1 1 72 72 LEU N N 72 118.944 118.944 118.603 0.341 17850 16711 1 20 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.893 0.071 17850 16712 1 20 . 1 1 72 72 LEU C C 72 178.415 178.415 177.774 0.641 17850 16713 1 20 . 1 1 72 72 LEU CA C 72 57.817 57.817 56.900 0.917 17850 16714 1 20 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.716 -0.248 17850 16715 1 20 . 1 1 72 72 LEU H H 72 7.142 7.142 7.556 -0.414 17850 16716 1 20 . 1 1 73 73 MET N N 73 114.500 114.500 114.689 -0.189 17850 16717 1 20 . 1 1 73 73 MET HA H 73 3.978 3.978 4.516 -0.538 17850 16718 1 20 . 1 1 73 73 MET C C 73 178.283 178.283 176.459 1.824 17850 16719 1 20 . 1 1 73 73 MET CA C 73 55.701 55.701 55.571 0.130 17850 16720 1 20 . 1 1 73 73 MET CB C 73 30.742 30.742 32.602 -1.860 17850 16721 1 20 . 1 1 73 73 MET H H 73 7.726 7.726 7.448 0.278 17850 16722 1 20 . 1 1 74 74 SER N N 74 112.626 112.626 116.035 -3.409 17850 16723 1 20 . 1 1 74 74 SER HA H 74 4.287 4.287 4.607 -0.320 17850 16724 1 20 . 1 1 74 74 SER C C 74 174.717 174.717 172.835 1.882 17850 16725 1 20 . 1 1 74 74 SER CA C 74 59.582 59.582 58.576 1.006 17850 16726 1 20 . 1 1 74 74 SER CB C 74 63.746 63.746 63.955 -0.208 17850 16727 1 20 . 1 1 74 74 SER H H 74 7.857 7.857 7.977 -0.120 17850 16728 1 20 . 1 1 75 75 ARG N N 75 122.130 122.130 118.426 3.704 17850 16729 1 20 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.477 -0.330 17850 16730 1 20 . 1 1 75 75 ARG CA C 75 57.775 57.775 55.986 1.789 17850 16731 1 20 . 1 1 75 75 ARG CB C 75 30.666 30.666 33.072 -2.406 17850 16732 1 20 . 1 1 75 75 ARG H H 75 7.208 7.208 8.460 -1.252 17850 16733 1 20 . 1 1 76 76 GLN N N 76 121.749 121.749 116.451 5.298 17850 16734 1 20 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.680 -0.396 17850 16735 1 20 . 1 1 76 76 GLN CA C 76 56.193 56.193 55.541 0.652 17850 16736 1 20 . 1 1 76 76 GLN CB C 76 29.057 29.057 30.590 -1.533 17850 16737 1 20 . 1 1 76 76 GLN H H 76 8.327 8.327 7.646 0.681 17850 16738 1 20 . 1 1 77 77 LEU N N 77 124.093 124.093 121.069 3.024 17850 16739 1 20 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.536 -0.097 17850 16740 1 20 . 1 1 77 77 LEU C C 77 177.670 177.670 177.156 0.514 17850 16741 1 20 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.628 -0.345 17850 16742 1 20 . 1 1 77 77 LEU CB C 77 42.780 42.780 43.452 -0.672 17850 16743 1 20 . 1 1 77 77 LEU H H 77 8.264 8.264 8.674 -0.410 17850 16744 1 20 . 1 1 78 78 LYS N N 78 121.053 121.053 120.161 0.892 17850 16745 1 20 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.371 0.036 17850 16746 1 20 . 1 1 78 78 LYS CA C 78 56.185 56.185 56.650 -0.465 17850 16747 1 20 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.170 0.107 17850 16748 1 20 . 1 1 78 78 LYS H H 78 8.433 8.433 7.952 0.481 17850 16749 1 20 . 1 1 79 79 SER N N 79 116.423 116.423 117.877 -1.454 17850 16750 1 20 . 1 1 79 79 SER HA H 79 4.321 4.321 4.590 -0.269 17850 16751 1 20 . 1 1 79 79 SER C C 79 175.145 175.145 173.388 1.757 17850 16752 1 20 . 1 1 79 79 SER CA C 79 59.795 59.795 57.713 2.082 17850 16753 1 20 . 1 1 79 79 SER CB C 79 63.226 63.226 63.841 -0.615 17850 16754 1 20 . 1 1 79 79 SER H H 79 8.448 8.448 8.197 0.251 17850 16755 1 20 . 1 1 80 80 ASN N N 80 119.581 119.581 120.650 -1.069 17850 16756 1 20 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.814 -0.115 17850 16757 1 20 . 1 1 80 80 ASN C C 80 175.726 175.726 176.204 -0.478 17850 16758 1 20 . 1 1 80 80 ASN CA C 80 54.413 54.413 54.919 -0.506 17850 16759 1 20 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.650 -0.062 17850 16760 1 20 . 1 1 80 80 ASN H H 80 8.513 8.513 8.422 0.091 17850 16761 1 20 . 1 1 81 81 ASP N N 81 120.378 120.378 118.535 1.843 17850 16762 1 20 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.490 0.140 17850 16763 1 20 . 1 1 81 81 ASP C C 81 177.281 177.281 177.345 -0.064 17850 16764 1 20 . 1 1 81 81 ASP CA C 81 55.593 55.593 55.775 -0.182 17850 16765 1 20 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.595 1.011 17850 16766 1 20 . 1 1 81 81 ASP H H 81 7.957 7.957 8.278 -0.321 17850 16767 1 20 . 1 1 82 82 SER N N 82 117.046 117.046 114.937 2.109 17850 16768 1 20 . 1 1 82 82 SER HA H 82 4.194 4.194 4.467 -0.273 17850 16769 1 20 . 1 1 82 82 SER C C 82 176.745 176.745 175.637 1.108 17850 16770 1 20 . 1 1 82 82 SER CA C 82 61.376 61.376 60.072 1.304 17850 16771 1 20 . 1 1 82 82 SER CB C 82 62.896 62.896 63.377 -0.481 17850 16772 1 20 . 1 1 82 82 SER H H 82 8.469 8.469 8.549 -0.080 17850 16773 1 20 . 1 1 83 83 GLU N N 83 122.405 122.405 119.721 2.684 17850 16774 1 20 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.350 -0.250 17850 16775 1 20 . 1 1 83 83 GLU C C 83 178.740 178.740 178.678 0.062 17850 16776 1 20 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.040 0.425 17850 16777 1 20 . 1 1 83 83 GLU CB C 83 29.404 29.404 30.538 -1.134 17850 16778 1 20 . 1 1 83 83 GLU H H 83 8.357 8.357 7.799 0.558 17850 16779 1 20 . 1 1 84 84 GLN N N 84 118.604 118.604 120.332 -1.728 17850 16780 1 20 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.032 0.077 17850 16781 1 20 . 1 1 84 84 GLN C C 84 178.533 178.533 178.469 0.064 17850 16782 1 20 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.982 -0.515 17850 16783 1 20 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.875 0.546 17850 16784 1 20 . 1 1 84 84 GLN H H 84 7.988 7.988 8.030 -0.042 17850 16785 1 20 . 1 1 85 85 GLU N N 85 119.418 119.418 118.547 0.871 17850 16786 1 20 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.164 -0.222 17850 16787 1 20 . 1 1 85 85 GLU C C 85 178.250 178.250 178.518 -0.268 17850 16788 1 20 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.751 0.373 17850 16789 1 20 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.847 -0.275 17850 16790 1 20 . 1 1 85 85 GLU H H 85 8.228 8.228 7.888 0.340 17850 16791 1 20 . 1 1 86 86 LEU N N 86 120.010 120.010 117.926 2.084 17850 16792 1 20 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.109 0.050 17850 16793 1 20 . 1 1 86 86 LEU C C 86 178.534 178.534 179.130 -0.596 17850 16794 1 20 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.343 -0.136 17850 16795 1 20 . 1 1 86 86 LEU CB C 86 41.626 41.626 41.041 0.585 17850 16796 1 20 . 1 1 86 86 LEU H H 86 7.797 7.797 7.517 0.280 17850 16797 1 20 . 1 1 87 87 LEU N N 87 119.111 119.111 120.861 -1.750 17850 16798 1 20 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.052 0.052 17850 16799 1 20 . 1 1 87 87 LEU C C 87 179.333 179.333 179.124 0.209 17850 16800 1 20 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.291 -0.049 17850 16801 1 20 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.884 -0.118 17850 16802 1 20 . 1 1 87 87 LEU H H 87 7.825 7.825 8.866 -1.041 17850 16803 1 20 . 1 1 88 88 GLU N N 88 117.514 117.514 118.750 -1.236 17850 16804 1 20 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.457 -0.356 17850 16805 1 20 . 1 1 88 88 GLU C C 88 179.461 179.461 179.115 0.346 17850 16806 1 20 . 1 1 88 88 GLU CA C 88 59.016 59.016 59.104 -0.088 17850 16807 1 20 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.229 -0.559 17850 16808 1 20 . 1 1 88 88 GLU H H 88 8.265 8.265 8.625 -0.360 17850 16809 1 20 . 1 1 89 89 ALA N N 89 120.734 120.734 123.930 -3.196 17850 16810 1 20 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.531 0.636 17850 16811 1 20 . 1 1 89 89 ALA C C 89 178.362 178.362 178.144 0.218 17850 16812 1 20 . 1 1 89 89 ALA CA C 89 55.077 55.077 53.945 1.132 17850 16813 1 20 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.571 -1.588 17850 16814 1 20 . 1 1 89 89 ALA H H 89 8.192 8.192 8.521 -0.329 17850 16815 1 20 . 1 1 90 90 PHE N N 90 119.339 119.339 119.950 -0.611 17850 16816 1 20 . 1 1 90 90 PHE HA H 90 3.199 3.199 3.964 -0.765 17850 16817 1 20 . 1 1 90 90 PHE C C 90 177.497 177.497 177.675 -0.178 17850 16818 1 20 . 1 1 90 90 PHE CA C 90 62.185 62.185 61.230 0.955 17850 16819 1 20 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.613 1.207 17850 16820 1 20 . 1 1 90 90 PHE H H 90 8.685 8.685 8.543 0.142 17850 16821 1 20 . 1 1 91 91 LYS N N 91 116.189 116.189 119.634 -3.445 17850 16822 1 20 . 1 1 91 91 LYS HA H 91 3.948 3.948 3.982 -0.034 17850 16823 1 20 . 1 1 91 91 LYS C C 91 178.236 178.236 177.572 0.664 17850 16824 1 20 . 1 1 91 91 LYS CA C 91 59.514 59.514 58.907 0.607 17850 16825 1 20 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.280 0.591 17850 16826 1 20 . 1 1 91 91 LYS H H 91 8.112 8.112 8.315 -0.203 17850 16827 1 20 . 1 1 92 92 VAL N N 92 117.696 117.696 116.283 1.413 17850 16828 1 20 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.875 -0.303 17850 16829 1 20 . 1 1 92 92 VAL C C 92 176.545 176.545 176.707 -0.162 17850 16830 1 20 . 1 1 92 92 VAL CA C 92 65.572 65.572 64.956 0.616 17850 16831 1 20 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.319 -0.893 17850 16832 1 20 . 1 1 92 92 VAL H H 92 7.383 7.383 7.381 0.002 17850 16833 1 20 . 1 1 93 93 PHE N N 93 114.826 114.826 117.862 -3.036 17850 16834 1 20 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.628 -0.401 17850 16835 1 20 . 1 1 93 93 PHE C C 93 176.417 176.417 176.155 0.262 17850 16836 1 20 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.749 0.851 17850 16837 1 20 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.827 2.369 17850 16838 1 20 . 1 1 93 93 PHE H H 93 7.116 7.116 7.804 -0.688 17850 16839 1 20 . 1 1 94 94 ASP N N 94 116.753 116.753 124.719 -7.966 17850 16840 1 20 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.510 0.021 17850 16841 1 20 . 1 1 94 94 ASP C C 94 177.305 177.305 176.975 0.330 17850 16842 1 20 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.305 -2.834 17850 16843 1 20 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.501 -1.660 17850 16844 1 20 . 1 1 94 94 ASP H H 94 7.849 7.849 8.155 -0.306 17850 16845 1 20 . 1 1 95 95 LYS N N 95 125.185 125.185 119.794 5.391 17850 16846 1 20 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.145 -0.142 17850 16847 1 20 . 1 1 95 95 LYS C C 95 178.261 178.261 177.098 1.163 17850 16848 1 20 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.950 1.127 17850 16849 1 20 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.272 -1.081 17850 16850 1 20 . 1 1 95 95 LYS H H 95 7.755 7.755 7.715 0.040 17850 16851 1 20 . 1 1 96 96 ASN N N 96 112.542 112.542 119.939 -7.397 17850 16852 1 20 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.394 0.391 17850 16853 1 20 . 1 1 96 96 ASN C C 96 176.469 176.469 174.615 1.854 17850 16854 1 20 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.001 -1.139 17850 16855 1 20 . 1 1 96 96 ASN H H 96 8.069 8.069 8.079 -0.010 17850 16856 1 20 . 1 1 97 97 GLY N N 97 109.956 109.956 109.814 0.142 17850 16857 1 20 . 1 1 97 97 GLY C C 97 175.032 175.032 175.921 -0.889 17850 16858 1 20 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.363 3.345 17850 16859 1 20 . 1 1 97 97 GLY H H 97 7.686 7.686 8.374 -0.688 17850 16860 1 20 . 1 1 98 98 ASP N N 98 119.383 119.383 120.593 -1.210 17850 16861 1 20 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.355 0.198 17850 16862 1 20 . 1 1 98 98 ASP C C 98 177.274 177.274 174.591 2.683 17850 16863 1 20 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.577 -1.243 17850 16864 1 20 . 1 1 98 98 ASP H H 98 8.249 8.249 8.045 0.204 17850 16865 1 20 . 1 1 99 99 GLY N N 99 112.398 112.398 105.646 6.752 17850 16866 1 20 . 1 1 99 99 GLY C C 99 173.128 173.128 174.049 -0.921 17850 16867 1 20 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.872 1.857 17850 16868 1 20 . 1 1 99 99 GLY H H 99 10.390 10.390 8.183 2.207 17850 16869 1 20 . 1 1 100 100 LEU N N 100 120.803 120.803 126.079 -5.276 17850 16870 1 20 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.728 0.537 17850 16871 1 20 . 1 1 100 100 LEU C C 100 176.427 176.427 177.598 -1.171 17850 16872 1 20 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.003 -2.227 17850 16873 1 20 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.314 4.887 17850 16874 1 20 . 1 1 100 100 LEU H H 100 7.987 7.987 9.085 -1.098 17850 16875 1 20 . 1 1 101 101 ILE N N 101 125.286 125.286 128.082 -2.796 17850 16876 1 20 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.356 0.366 17850 16877 1 20 . 1 1 101 101 ILE C C 101 175.432 175.432 177.053 -1.621 17850 16878 1 20 . 1 1 101 101 ILE CA C 101 60.249 60.249 61.057 -0.808 17850 16879 1 20 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.113 -0.049 17850 16880 1 20 . 1 1 101 101 ILE H H 101 9.698 9.698 8.110 1.588 17850 16881 1 20 . 1 1 102 102 SER N N 102 123.133 123.133 117.582 5.551 17850 16882 1 20 . 1 1 102 102 SER HA H 102 4.969 4.969 4.045 0.924 17850 16883 1 20 . 1 1 102 102 SER C C 102 175.298 175.298 176.175 -0.877 17850 16884 1 20 . 1 1 102 102 SER CA C 102 55.994 55.994 62.092 -6.098 17850 16885 1 20 . 1 1 102 102 SER CB C 102 66.456 66.456 62.123 4.333 17850 16886 1 20 . 1 1 102 102 SER H H 102 9.095 9.095 8.583 0.512 17850 16887 1 20 . 1 1 103 103 ALA N N 103 122.886 122.886 121.457 1.429 17850 16888 1 20 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.816 0.073 17850 16889 1 20 . 1 1 103 103 ALA C C 103 179.237 179.237 180.087 -0.850 17850 16890 1 20 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.095 0.987 17850 16891 1 20 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.874 0.183 17850 16892 1 20 . 1 1 103 103 ALA H H 103 8.691 8.691 8.342 0.349 17850 16893 1 20 . 1 1 104 104 ALA N N 104 118.317 118.317 120.093 -1.776 17850 16894 1 20 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.634 0.440 17850 16895 1 20 . 1 1 104 104 ALA C C 104 181.451 181.451 179.436 2.015 17850 16896 1 20 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.666 0.619 17850 16897 1 20 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.684 -0.249 17850 16898 1 20 . 1 1 104 104 ALA H H 104 8.392 8.392 7.724 0.668 17850 16899 1 20 . 1 1 105 105 GLU N N 105 120.398 120.398 117.853 2.545 17850 16900 1 20 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.604 -0.544 17850 16901 1 20 . 1 1 105 105 GLU C C 105 179.223 179.223 177.675 1.548 17850 16902 1 20 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.545 -0.082 17850 16903 1 20 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.007 -0.856 17850 16904 1 20 . 1 1 105 105 GLU H H 105 7.879 7.879 8.317 -0.438 17850 16905 1 20 . 1 1 106 106 LEU N N 106 120.023 120.023 119.991 0.032 17850 16906 1 20 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.893 0.270 17850 16907 1 20 . 1 1 106 106 LEU C C 106 178.503 178.503 178.790 -0.287 17850 16908 1 20 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.397 0.292 17850 16909 1 20 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.928 1.359 17850 16910 1 20 . 1 1 106 106 LEU H H 106 8.479 8.479 8.700 -0.221 17850 16911 1 20 . 1 1 107 107 LYS N N 107 117.064 117.064 120.141 -3.077 17850 16912 1 20 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.905 -0.087 17850 16913 1 20 . 1 1 107 107 LYS C C 107 179.039 179.039 178.772 0.267 17850 16914 1 20 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.195 1.113 17850 16915 1 20 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.099 0.791 17850 16916 1 20 . 1 1 107 107 LYS H H 107 8.758 8.758 8.423 0.335 17850 16917 1 20 . 1 1 108 108 HIS N N 108 119.125 119.125 118.929 0.196 17850 16918 1 20 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.537 0.779 17850 16919 1 20 . 1 1 108 108 HIS C C 108 178.394 178.394 177.216 1.178 17850 16920 1 20 . 1 1 108 108 HIS CA C 108 60.187 60.187 58.940 1.248 17850 16921 1 20 . 1 1 108 108 HIS CB C 108 30.492 30.492 28.982 1.510 17850 16922 1 20 . 1 1 108 108 HIS H H 108 8.287 8.287 7.757 0.530 17850 16923 1 20 . 1 1 109 109 VAL N N 109 119.525 119.525 119.036 0.489 17850 16924 1 20 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.644 -0.159 17850 16925 1 20 . 1 1 109 109 VAL C C 109 178.246 178.246 177.699 0.547 17850 16926 1 20 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.410 1.300 17850 16927 1 20 . 1 1 109 109 VAL CB C 109 31.572 31.572 31.038 0.534 17850 16928 1 20 . 1 1 109 109 VAL H H 109 7.915 7.915 8.597 -0.682 17850 16929 1 20 . 1 1 110 110 LEU N N 110 117.403 117.403 118.870 -1.467 17850 16930 1 20 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.077 -0.098 17850 16931 1 20 . 1 1 110 110 LEU C C 110 178.968 178.968 177.956 1.012 17850 16932 1 20 . 1 1 110 110 LEU CA C 110 58.218 58.218 58.860 -0.642 17850 16933 1 20 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.985 -1.457 17850 16934 1 20 . 1 1 110 110 LEU H H 110 8.269 8.269 8.365 -0.096 17850 16935 1 20 . 1 1 111 111 THR N N 111 114.122 114.122 115.508 -1.386 17850 16936 1 20 . 1 1 111 111 THR HA H 111 4.184 4.184 4.047 0.137 17850 16937 1 20 . 1 1 111 111 THR C C 111 178.534 178.534 175.374 3.160 17850 16938 1 20 . 1 1 111 111 THR CA C 111 66.252 66.252 64.688 1.564 17850 16939 1 20 . 1 1 111 111 THR CB C 111 68.851 68.851 68.653 0.198 17850 16940 1 20 . 1 1 111 111 THR H H 111 8.441 8.441 8.106 0.335 17850 16941 1 20 . 1 1 112 112 SER N N 112 119.981 119.981 105.005 14.976 17850 16942 1 20 . 1 1 112 112 SER HA H 112 4.215 4.215 4.641 -0.426 17850 16943 1 20 . 1 1 112 112 SER C C 112 175.523 175.523 174.096 1.427 17850 16944 1 20 . 1 1 112 112 SER CA C 112 62.197 62.197 58.342 3.855 17850 16945 1 20 . 1 1 112 112 SER CB C 112 62.936 62.936 65.263 -2.327 17850 16946 1 20 . 1 1 112 112 SER H H 112 7.910 7.910 6.976 0.934 17850 16947 1 20 . 1 1 113 113 ILE N N 113 112.726 112.726 118.754 -6.028 17850 16948 1 20 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.899 0.585 17850 16949 1 20 . 1 1 113 113 ILE C C 113 175.636 175.636 175.049 0.587 17850 16950 1 20 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.208 -0.453 17850 16951 1 20 . 1 1 113 113 ILE H H 113 7.473 7.473 7.341 0.132 17850 16952 1 20 . 1 1 114 114 GLY N N 114 108.354 108.354 112.262 -3.908 17850 16953 1 20 . 1 1 114 114 GLY C C 114 174.583 174.583 174.208 0.375 17850 16954 1 20 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.445 0.405 17850 16955 1 20 . 1 1 114 114 GLY H H 114 7.652 7.652 8.145 -0.493 17850 16956 1 20 . 1 1 115 115 GLU N N 115 120.283 120.283 125.171 -4.888 17850 16957 1 20 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.575 -0.270 17850 16958 1 20 . 1 1 115 115 GLU C C 115 175.444 175.444 175.464 -0.020 17850 16959 1 20 . 1 1 115 115 GLU CA C 115 55.132 55.132 54.849 0.283 17850 16960 1 20 . 1 1 115 115 GLU CB C 115 30.250 30.250 29.893 0.357 17850 16961 1 20 . 1 1 115 115 GLU H H 115 8.045 8.045 8.262 -0.217 17850 16962 1 20 . 1 1 116 116 LYS N N 116 124.370 124.370 125.693 -1.323 17850 16963 1 20 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.544 -0.122 17850 16964 1 20 . 1 1 116 116 LYS C C 116 175.287 175.287 176.713 -1.426 17850 16965 1 20 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.049 0.586 17850 16966 1 20 . 1 1 116 116 LYS CB C 116 32.142 32.142 33.105 -0.963 17850 16967 1 20 . 1 1 116 116 LYS H H 116 8.571 8.571 8.453 0.118 17850 16968 1 20 . 1 1 117 117 LEU N N 117 125.492 125.492 121.716 3.776 17850 16969 1 20 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.239 0.545 17850 16970 1 20 . 1 1 117 117 LEU C C 117 177.161 177.161 177.395 -0.234 17850 16971 1 20 . 1 1 117 117 LEU CA C 117 54.233 54.233 54.064 0.169 17850 16972 1 20 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.365 1.633 17850 16973 1 20 . 1 1 117 117 LEU H H 117 8.042 8.042 8.308 -0.266 17850 16974 1 20 . 1 1 118 118 THR N N 118 113.255 113.255 116.065 -2.810 17850 16975 1 20 . 1 1 118 118 THR HA H 118 4.497 4.497 4.016 0.481 17850 16976 1 20 . 1 1 118 118 THR C C 118 175.335 175.335 176.234 -0.899 17850 16977 1 20 . 1 1 118 118 THR CA C 118 60.434 60.434 65.581 -5.147 17850 16978 1 20 . 1 1 118 118 THR CB C 118 71.193 71.193 68.672 2.521 17850 16979 1 20 . 1 1 118 118 THR H H 118 8.995 8.995 8.680 0.315 17850 16980 1 20 . 1 1 119 119 ASP N N 119 120.837 120.837 117.454 3.383 17850 16981 1 20 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.666 -0.434 17850 16982 1 20 . 1 1 119 119 ASP C C 119 178.422 178.422 177.386 1.036 17850 16983 1 20 . 1 1 119 119 ASP CA C 119 58.097 58.097 55.815 2.283 17850 16984 1 20 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.291 -0.316 17850 16985 1 20 . 1 1 119 119 ASP H H 119 8.743 8.743 8.291 0.452 17850 16986 1 20 . 1 1 120 120 ALA N N 120 121.309 121.309 121.410 -0.101 17850 16987 1 20 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.184 -0.018 17850 16988 1 20 . 1 1 120 120 ALA C C 120 179.796 179.796 179.632 0.164 17850 16989 1 20 . 1 1 120 120 ALA CA C 120 55.028 55.028 53.571 1.457 17850 16990 1 20 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.445 -1.125 17850 16991 1 20 . 1 1 120 120 ALA H H 120 8.304 8.304 7.633 0.671 17850 16992 1 20 . 1 1 121 121 GLU N N 121 118.068 118.068 121.312 -3.244 17850 16993 1 20 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.925 0.132 17850 16994 1 20 . 1 1 121 121 GLU C C 121 180.035 180.035 177.573 2.462 17850 16995 1 20 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.823 -1.585 17850 16996 1 20 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.861 0.568 17850 16997 1 20 . 1 1 121 121 GLU H H 121 7.705 7.705 8.671 -0.966 17850 16998 1 20 . 1 1 122 122 VAL N N 122 120.636 120.636 116.914 3.722 17850 16999 1 20 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.797 -0.260 17850 17000 1 20 . 1 1 122 122 VAL C C 122 177.120 177.120 177.434 -0.314 17850 17001 1 20 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.659 1.383 17850 17002 1 20 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.745 -0.353 17850 17003 1 20 . 1 1 122 122 VAL H H 122 7.935 7.935 7.803 0.132 17850 17004 1 20 . 1 1 123 123 ASP N N 123 120.336 120.336 119.269 1.067 17850 17005 1 20 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.584 -0.281 17850 17006 1 20 . 1 1 123 123 ASP C C 123 179.023 179.023 177.992 1.031 17850 17007 1 20 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.015 1.928 17850 17008 1 20 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.468 -0.797 17850 17009 1 20 . 1 1 123 123 ASP H H 123 8.204 8.204 8.101 0.103 17850 17010 1 20 . 1 1 124 124 ASP N N 124 118.890 118.890 120.950 -2.060 17850 17011 1 20 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.451 -0.111 17850 17012 1 20 . 1 1 124 124 ASP C C 124 178.527 178.527 177.845 0.682 17850 17013 1 20 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.204 0.319 17850 17014 1 20 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.923 -0.103 17850 17015 1 20 . 1 1 124 124 ASP H H 124 8.272 8.272 7.862 0.410 17850 17016 1 20 . 1 1 125 125 MET N N 125 119.365 119.365 116.573 2.792 17850 17017 1 20 . 1 1 125 125 MET HA H 125 4.091 4.091 4.122 -0.031 17850 17018 1 20 . 1 1 125 125 MET C C 125 178.021 178.021 178.217 -0.196 17850 17019 1 20 . 1 1 125 125 MET CA C 125 59.205 59.205 58.275 0.930 17850 17020 1 20 . 1 1 125 125 MET CB C 125 33.281 33.281 32.003 1.278 17850 17021 1 20 . 1 1 125 125 MET H H 125 7.750 7.750 8.618 -0.868 17850 17022 1 20 . 1 1 126 126 LEU N N 126 117.193 117.193 118.746 -1.553 17850 17023 1 20 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.982 -0.058 17850 17024 1 20 . 1 1 126 126 LEU C C 126 180.267 180.267 179.480 0.787 17850 17025 1 20 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.702 0.100 17850 17026 1 20 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.508 0.106 17850 17027 1 20 . 1 1 126 126 LEU H H 126 8.152 8.152 7.680 0.472 17850 17028 1 20 . 1 1 127 127 ARG N N 127 120.792 120.792 117.319 3.473 17850 17029 1 20 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.029 0.012 17850 17030 1 20 . 1 1 127 127 ARG C C 127 178.027 178.027 177.482 0.545 17850 17031 1 20 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.670 0.611 17850 17032 1 20 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.455 -0.456 17850 17033 1 20 . 1 1 127 127 ARG H H 127 8.335 8.335 7.538 0.797 17850 17034 1 20 . 1 1 128 128 GLU N N 128 117.142 117.142 110.996 6.146 17850 17035 1 20 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.662 -0.556 17850 17036 1 20 . 1 1 128 128 GLU C C 128 178.618 178.618 175.951 2.667 17850 17037 1 20 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.164 4.041 17850 17038 1 20 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.554 -0.160 17850 17039 1 20 . 1 1 128 128 GLU H H 128 7.667 7.667 8.130 -0.463 17850 17040 1 20 . 1 1 129 129 VAL N N 129 108.345 108.345 118.313 -9.968 17850 17041 1 20 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.184 0.303 17850 17042 1 20 . 1 1 129 129 VAL C C 129 175.591 175.591 176.362 -0.771 17850 17043 1 20 . 1 1 129 129 VAL CA C 129 61.663 61.663 61.851 -0.188 17850 17044 1 20 . 1 1 129 129 VAL CB C 129 33.009 33.009 32.927 0.082 17850 17045 1 20 . 1 1 129 129 VAL H H 129 7.470 7.470 7.900 -0.430 17850 17046 1 20 . 1 1 130 130 SER N N 130 115.012 115.012 118.053 -3.041 17850 17047 1 20 . 1 1 130 130 SER HA H 130 4.670 4.670 4.115 0.555 17850 17048 1 20 . 1 1 130 130 SER C C 130 174.414 174.414 174.310 0.104 17850 17049 1 20 . 1 1 130 130 SER CA C 130 58.067 58.067 59.667 -1.600 17850 17050 1 20 . 1 1 130 130 SER CB C 130 65.814 65.814 61.986 3.828 17850 17051 1 20 . 1 1 130 130 SER H H 130 7.858 7.858 7.822 0.036 17850 17052 1 20 . 1 1 131 131 ASP N N 131 120.972 120.972 115.993 4.979 17850 17053 1 20 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.263 0.303 17850 17054 1 20 . 1 1 131 131 ASP C C 131 176.676 176.676 175.016 1.660 17850 17055 1 20 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.855 -0.072 17850 17056 1 20 . 1 1 131 131 ASP H H 131 8.478 8.478 8.307 0.171 17850 17057 1 20 . 1 1 132 132 GLY N N 132 105.512 105.512 108.616 -3.104 17850 17058 1 20 . 1 1 132 132 GLY C C 132 174.924 174.924 175.029 -0.105 17850 17059 1 20 . 1 1 132 132 GLY CA C 132 45.670 45.670 45.986 -0.316 17850 17060 1 20 . 1 1 132 132 GLY H H 132 8.352 8.352 7.789 0.563 17850 17061 1 20 . 1 1 133 133 SER N N 133 116.718 116.718 113.670 3.048 17850 17062 1 20 . 1 1 133 133 SER HA H 133 4.435 4.435 4.432 0.003 17850 17063 1 20 . 1 1 133 133 SER C C 133 175.404 175.404 172.716 2.688 17850 17064 1 20 . 1 1 133 133 SER CA C 133 59.340 59.340 58.137 1.203 17850 17065 1 20 . 1 1 133 133 SER H H 133 8.104 8.104 8.544 -0.440 17850 17066 1 20 . 1 1 134 134 GLY N N 134 109.601 109.601 108.008 1.593 17850 17067 1 20 . 1 1 134 134 GLY C C 134 172.547 172.547 172.850 -0.303 17850 17068 1 20 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.211 2.612 17850 17069 1 20 . 1 1 134 134 GLY H H 134 8.555 8.555 7.437 1.118 17850 17070 1 20 . 1 1 135 135 GLU N N 135 117.166 117.166 116.417 0.749 17850 17071 1 20 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.907 0.120 17850 17072 1 20 . 1 1 135 135 GLU C C 135 175.280 175.280 174.766 0.514 17850 17073 1 20 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.750 -0.015 17850 17074 1 20 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.450 0.424 17850 17075 1 20 . 1 1 135 135 GLU H H 135 7.641 7.641 8.137 -0.496 17850 17076 1 20 . 1 1 136 136 ILE N N 136 114.256 114.256 126.065 -11.809 17850 17077 1 20 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.901 0.175 17850 17078 1 20 . 1 1 136 136 ILE C C 136 175.228 175.228 177.199 -1.971 17850 17079 1 20 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.611 -0.213 17850 17080 1 20 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.194 2.458 17850 17081 1 20 . 1 1 136 136 ILE H H 136 8.565 8.565 8.437 0.128 17850 17082 1 20 . 1 1 137 137 ASN N N 137 121.842 121.842 118.466 3.376 17850 17083 1 20 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.819 1.446 17850 17084 1 20 . 1 1 137 137 ASN C C 137 176.835 176.835 176.134 0.701 17850 17085 1 20 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.570 -3.543 17850 17086 1 20 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.825 1.888 17850 17087 1 20 . 1 1 137 137 ASN H H 137 8.767 8.767 8.724 0.043 17850 17088 1 20 . 1 1 138 138 ILE N N 138 118.075 118.075 117.808 0.267 17850 17089 1 20 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.950 -0.198 17850 17090 1 20 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.174 0.598 17850 17091 1 20 . 1 1 138 138 ILE CB C 138 37.553 37.553 37.386 0.167 17850 17092 1 20 . 1 1 138 138 ILE H H 138 8.418 8.418 8.385 0.033 17850 17093 1 20 . 1 1 139 139 GLN N N 139 122.926 122.926 120.027 2.899 17850 17094 1 20 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.115 0.011 17850 17095 1 20 . 1 1 139 139 GLN C C 139 179.886 179.886 178.882 1.004 17850 17096 1 20 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.604 0.982 17850 17097 1 20 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.550 -0.766 17850 17098 1 20 . 1 1 139 139 GLN H H 139 7.632 7.632 7.842 -0.210 17850 17099 1 20 . 1 1 140 140 GLN N N 140 121.813 121.813 120.913 0.900 17850 17100 1 20 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.818 0.343 17850 17101 1 20 . 1 1 140 140 GLN C C 140 178.284 178.284 177.388 0.896 17850 17102 1 20 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.722 -0.506 17850 17103 1 20 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.359 0.079 17850 17104 1 20 . 1 1 140 140 GLN H H 140 8.416 8.416 8.849 -0.433 17850 17105 1 20 . 1 1 141 141 PHE N N 141 121.732 121.732 118.216 3.516 17850 17106 1 20 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.650 0.502 17850 17107 1 20 . 1 1 141 141 PHE C C 141 176.273 176.273 176.401 -0.128 17850 17108 1 20 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.334 0.626 17850 17109 1 20 . 1 1 141 141 PHE CB C 141 40.061 40.061 38.050 2.011 17850 17110 1 20 . 1 1 141 141 PHE H H 141 9.030 9.030 8.204 0.826 17850 17111 1 20 . 1 1 142 142 ALA N N 142 119.852 119.852 120.890 -1.038 17850 17112 1 20 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.989 -0.186 17850 17113 1 20 . 1 1 142 142 ALA C C 142 180.733 180.733 179.984 0.749 17850 17114 1 20 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.447 0.763 17850 17115 1 20 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.275 -0.373 17850 17116 1 20 . 1 1 142 142 ALA H H 142 8.399 8.399 7.964 0.435 17850 17117 1 20 . 1 1 143 143 ALA N N 143 120.555 120.555 119.494 1.061 17850 17118 1 20 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.985 0.129 17850 17119 1 20 . 1 1 143 143 ALA C C 143 180.455 180.455 179.415 1.040 17850 17120 1 20 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.964 0.049 17850 17121 1 20 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.134 -1.285 17850 17122 1 20 . 1 1 143 143 ALA H H 143 7.627 7.627 7.613 0.014 17850 17123 1 20 . 1 1 144 144 LEU N N 144 121.054 121.054 113.960 7.094 17850 17124 1 20 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.127 -0.194 17850 17125 1 20 . 1 1 144 144 LEU C C 144 177.756 177.756 177.115 0.641 17850 17126 1 20 . 1 1 144 144 LEU CA C 144 57.696 57.696 55.538 2.158 17850 17127 1 20 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.555 0.283 17850 17128 1 20 . 1 1 144 144 LEU H H 144 8.029 8.029 7.101 0.928 17850 17129 1 20 . 1 1 145 145 LEU N N 145 115.288 115.288 116.492 -1.204 17850 17130 1 20 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.444 -0.471 17850 17131 1 20 . 1 1 145 145 LEU C C 145 177.284 177.284 176.477 0.807 17850 17132 1 20 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.387 0.897 17850 17133 1 20 . 1 1 145 145 LEU CB C 145 41.610 41.610 41.939 -0.329 17850 17134 1 20 . 1 1 145 145 LEU H H 145 7.309 7.309 7.648 -0.339 17850 17135 1 20 . 1 1 146 146 SER N N 146 114.503 114.503 118.477 -3.974 17850 17136 1 20 . 1 1 146 146 SER HA H 146 4.346 4.346 4.427 -0.081 17850 17137 1 20 . 1 1 146 146 SER C C 146 175.125 175.125 175.413 -0.288 17850 17138 1 20 . 1 1 146 146 SER CA C 146 59.046 59.046 58.507 0.539 17850 17139 1 20 . 1 1 146 146 SER CB C 146 64.181 64.181 63.590 0.591 17850 17140 1 20 . 1 1 146 146 SER H H 146 7.506 7.506 7.609 -0.103 17850 17141 1 20 . 1 1 147 147 LYS N N 147 123.315 123.315 120.645 2.670 17850 17142 1 20 . 1 1 147 147 LYS HA H 147 4.167 4.167 3.967 0.200 17850 17143 1 20 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.901 0.781 17850 17144 1 20 . 1 1 147 147 LYS H H 147 8.329 8.329 8.537 -0.208 17850 17145 1 20 . 1 1 148 148 GLY N N 148 108.566 108.566 108.086 0.480 17850 17146 1 20 . 1 1 148 148 GLY C C 148 174.394 174.394 174.777 -0.383 17850 17147 1 20 . 1 1 148 148 GLY CA C 148 45.528 45.528 44.264 1.264 17850 17148 1 20 . 1 1 148 148 GLY H H 148 8.353 8.353 7.737 0.616 17850 17149 1 20 . 1 1 149 149 SER N N 149 115.356 115.356 117.874 -2.518 17850 17150 1 20 . 1 1 149 149 SER HA H 149 4.484 4.484 4.211 0.273 17850 17151 1 20 . 1 1 149 149 SER C C 149 175.038 175.038 173.955 1.083 17850 17152 1 20 . 1 1 149 149 SER CA C 149 58.418 58.418 59.284 -0.866 17850 17153 1 20 . 1 1 149 149 SER CB C 149 64.171 64.171 62.917 1.254 17850 17154 1 20 . 1 1 149 149 SER H H 149 7.993 7.993 8.977 -0.984 17850 17155 1 20 . 1 1 150 150 SER N N 150 118.028 118.028 113.313 4.715 17850 17156 1 20 . 1 1 150 150 SER HA H 150 4.490 4.490 4.752 -0.262 17850 17157 1 20 . 1 1 150 150 SER C C 150 175.034 175.034 173.729 1.305 17850 17158 1 20 . 1 1 150 150 SER CA C 150 59.029 59.029 57.398 1.631 17850 17159 1 20 . 1 1 150 150 SER CB C 150 63.407 63.407 65.798 -2.391 17850 17160 1 20 . 1 1 150 150 SER H H 150 8.530 8.530 7.743 0.787 17850 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 148 4.038 -0.269 4.043 17850 2 1 1 "Average Difference" HA 160 0.426 -0.009 0.428 17850 3 1 1 "Average Difference" C 141 1.167 -0.347 1.119 17850 4 1 1 "Average Difference" CA 150 1.693 -0.299 1.672 17850 5 1 1 "Average Difference" CB 131 1.596 -0.151 1.595 17850 6 1 1 "Average Difference" HN 148 0.652 -0.092 0.648 17850 7 1 2 "Average Difference" N 148 4.021 -0.311 4.022 17850 8 1 2 "Average Difference" HA 160 0.436 0.010 0.437 17850 9 1 2 "Average Difference" C 141 1.215 -0.428 1.141 17850 10 1 2 "Average Difference" CA 150 1.766 -0.362 1.735 17850 11 1 2 "Average Difference" CB 131 1.629 -0.158 1.628 17850 12 1 2 "Average Difference" HN 148 0.663 -0.104 0.658 17850 13 1 3 "Average Difference" N 148 3.967 -0.150 3.978 17850 14 1 3 "Average Difference" HA 160 0.441 -0.001 0.443 17850 15 1 3 "Average Difference" C 141 1.199 -0.351 1.151 17850 16 1 3 "Average Difference" CA 150 1.709 -0.279 1.692 17850 17 1 3 "Average Difference" CB 131 1.578 -0.197 1.572 17850 18 1 3 "Average Difference" HN 148 0.670 -0.099 0.665 17850 19 1 4 "Average Difference" N 148 4.026 -0.169 4.036 17850 20 1 4 "Average Difference" HA 160 0.416 0.001 0.417 17850 21 1 4 "Average Difference" C 141 1.184 -0.330 1.141 17850 22 1 4 "Average Difference" CA 150 1.743 -0.271 1.727 17850 23 1 4 "Average Difference" CB 131 1.638 -0.143 1.638 17850 24 1 4 "Average Difference" HN 148 0.680 -0.070 0.679 17850 25 1 5 "Average Difference" N 148 3.929 -0.353 3.926 17850 26 1 5 "Average Difference" HA 160 0.426 0.008 0.428 17850 27 1 5 "Average Difference" C 141 1.207 -0.408 1.140 17850 28 1 5 "Average Difference" CA 150 1.744 -0.339 1.716 17850 29 1 5 "Average Difference" CB 131 1.639 -0.167 1.636 17850 30 1 5 "Average Difference" HN 148 0.677 -0.136 0.665 17850 31 1 6 "Average Difference" N 148 4.120 -0.337 4.120 17850 32 1 6 "Average Difference" HA 160 0.450 0.005 0.451 17850 33 1 6 "Average Difference" C 141 1.256 -0.415 1.190 17850 34 1 6 "Average Difference" CA 150 1.727 -0.350 1.697 17850 35 1 6 "Average Difference" CB 131 1.677 -0.150 1.677 17850 36 1 6 "Average Difference" HN 148 0.661 -0.103 0.655 17850 37 1 7 "Average Difference" N 148 3.969 -0.303 3.970 17850 38 1 7 "Average Difference" HA 160 0.429 0.013 0.430 17850 39 1 7 "Average Difference" C 141 1.245 -0.410 1.179 17850 40 1 7 "Average Difference" CA 150 1.729 -0.328 1.703 17850 41 1 7 "Average Difference" CB 131 1.624 -0.118 1.626 17850 42 1 7 "Average Difference" HN 148 0.689 -0.095 0.685 17850 43 1 8 "Average Difference" N 148 4.090 -0.454 4.078 17850 44 1 8 "Average Difference" HA 160 0.448 0.013 0.450 17850 45 1 8 "Average Difference" C 141 1.242 -0.423 1.172 17850 46 1 8 "Average Difference" CA 150 1.780 -0.324 1.756 17850 47 1 8 "Average Difference" CB 131 1.616 -0.123 1.618 17850 48 1 8 "Average Difference" HN 148 0.667 -0.121 0.658 17850 49 1 9 "Average Difference" N 148 4.030 -0.167 4.040 17850 50 1 9 "Average Difference" HA 160 0.425 -0.001 0.426 17850 51 1 9 "Average Difference" C 141 1.155 -0.372 1.097 17850 52 1 9 "Average Difference" CA 150 1.720 -0.300 1.699 17850 53 1 9 "Average Difference" CB 131 1.629 -0.099 1.632 17850 54 1 9 "Average Difference" HN 148 0.664 -0.068 0.663 17850 55 1 10 "Average Difference" N 148 4.040 -0.063 4.053 17850 56 1 10 "Average Difference" HA 160 0.410 0.015 0.411 17850 57 1 10 "Average Difference" C 141 1.259 -0.430 1.187 17850 58 1 10 "Average Difference" CA 150 1.764 -0.322 1.740 17850 59 1 10 "Average Difference" CB 131 1.658 -0.131 1.659 17850 60 1 10 "Average Difference" HN 148 0.659 -0.062 0.658 17850 61 1 11 "Average Difference" N 148 3.991 -0.264 3.995 17850 62 1 11 "Average Difference" HA 160 0.429 0.004 0.430 17850 63 1 11 "Average Difference" C 141 1.232 -0.389 1.173 17850 64 1 11 "Average Difference" CA 150 1.771 -0.320 1.747 17850 65 1 11 "Average Difference" CB 131 1.614 -0.161 1.612 17850 66 1 11 "Average Difference" HN 148 0.664 -0.088 0.660 17850 67 1 12 "Average Difference" N 148 4.081 -0.275 4.086 17850 68 1 12 "Average Difference" HA 160 0.434 0.003 0.435 17850 69 1 12 "Average Difference" C 141 1.217 -0.381 1.160 17850 70 1 12 "Average Difference" CA 150 1.749 -0.264 1.734 17850 71 1 12 "Average Difference" CB 131 1.635 -0.137 1.636 17850 72 1 12 "Average Difference" HN 148 0.665 -0.081 0.662 17850 73 1 13 "Average Difference" N 148 4.015 -0.326 4.016 17850 74 1 13 "Average Difference" HA 160 0.431 0.010 0.432 17850 75 1 13 "Average Difference" C 141 1.239 -0.454 1.157 17850 76 1 13 "Average Difference" CA 150 1.770 -0.322 1.747 17850 77 1 13 "Average Difference" CB 131 1.629 -0.077 1.634 17850 78 1 13 "Average Difference" HN 148 0.680 -0.076 0.678 17850 79 1 14 "Average Difference" N 148 3.982 -0.214 3.990 17850 80 1 14 "Average Difference" HA 160 0.430 0.007 0.431 17850 81 1 14 "Average Difference" C 141 1.192 -0.366 1.139 17850 82 1 14 "Average Difference" CA 150 1.697 -0.314 1.673 17850 83 1 14 "Average Difference" CB 131 1.680 -0.162 1.679 17850 84 1 14 "Average Difference" HN 148 0.695 -0.139 0.683 17850 85 1 15 "Average Difference" N 148 4.041 -0.313 4.043 17850 86 1 15 "Average Difference" HA 160 0.431 0.013 0.433 17850 87 1 15 "Average Difference" C 141 1.235 -0.394 1.175 17850 88 1 15 "Average Difference" CA 150 1.764 -0.308 1.742 17850 89 1 15 "Average Difference" CB 131 1.659 -0.119 1.661 17850 90 1 15 "Average Difference" HN 148 0.674 -0.118 0.666 17850 91 1 16 "Average Difference" N 148 3.964 -0.383 3.959 17850 92 1 16 "Average Difference" HA 160 0.431 -0.004 0.432 17850 93 1 16 "Average Difference" C 141 1.258 -0.446 1.181 17850 94 1 16 "Average Difference" CA 150 1.745 -0.304 1.724 17850 95 1 16 "Average Difference" CB 131 1.616 -0.096 1.620 17850 96 1 16 "Average Difference" HN 148 0.663 -0.096 0.658 17850 97 1 17 "Average Difference" N 148 4.046 -0.311 4.048 17850 98 1 17 "Average Difference" HA 160 0.445 0.016 0.446 17850 99 1 17 "Average Difference" C 141 1.183 -0.363 1.130 17850 100 1 17 "Average Difference" CA 150 1.742 -0.341 1.714 17850 101 1 17 "Average Difference" CB 131 1.626 -0.094 1.629 17850 102 1 17 "Average Difference" HN 148 0.665 -0.081 0.662 17850 103 1 18 "Average Difference" N 148 4.023 -0.275 4.027 17850 104 1 18 "Average Difference" HA 160 0.430 -0.005 0.432 17850 105 1 18 "Average Difference" C 141 1.203 -0.331 1.161 17850 106 1 18 "Average Difference" CA 150 1.757 -0.278 1.741 17850 107 1 18 "Average Difference" CB 131 1.610 -0.138 1.610 17850 108 1 18 "Average Difference" HN 148 0.670 -0.121 0.661 17850 109 1 19 "Average Difference" N 148 3.965 -0.331 3.964 17850 110 1 19 "Average Difference" HA 160 0.437 -0.006 0.438 17850 111 1 19 "Average Difference" C 141 1.208 -0.405 1.142 17850 112 1 19 "Average Difference" CA 150 1.757 -0.264 1.742 17850 113 1 19 "Average Difference" CB 131 1.635 -0.130 1.636 17850 114 1 19 "Average Difference" HN 148 0.675 -0.111 0.668 17850 115 1 20 "Average Difference" N 148 4.079 -0.411 4.072 17850 116 1 20 "Average Difference" HA 160 0.414 0.003 0.416 17850 117 1 20 "Average Difference" C 141 1.184 -0.437 1.104 17850 118 1 20 "Average Difference" CA 150 1.712 -0.385 1.673 17850 119 1 20 "Average Difference" CB 131 1.620 -0.082 1.624 17850 120 1 20 "Average Difference" HN 148 0.684 -0.124 0.675 17850 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 17850 _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 1 1 GLY N N 1 109.911 109.911 109.887 0.024 17850 2 1 . 1 1 1 1 GLY CA C 1 45.436 45.436 44.911 0.525 17850 3 1 . 1 1 1 1 GLY H H 1 8.410 8.410 8.202 0.208 17850 4 1 . 1 1 2 2 SER N N 2 115.579 115.579 118.196 -2.617 17850 5 1 . 1 1 2 2 SER HA H 2 4.474 4.474 4.511 -0.038 17850 6 1 . 1 1 2 2 SER C C 2 174.661 174.661 173.967 0.694 17850 7 1 . 1 1 2 2 SER CA C 2 58.374 58.374 58.083 0.291 17850 8 1 . 1 1 2 2 SER CB C 2 63.986 63.986 64.301 -0.315 17850 9 1 . 1 1 2 2 SER H H 2 8.207 8.207 8.314 -0.106 17850 10 1 . 1 1 3 3 SER N N 3 117.154 117.154 118.085 -0.931 17850 11 1 . 1 1 3 3 SER HA H 3 4.439 4.439 4.595 -0.156 17850 12 1 . 1 1 3 3 SER C C 3 174.122 174.122 173.238 0.884 17850 13 1 . 1 1 3 3 SER CA C 3 58.695 58.695 58.298 0.397 17850 14 1 . 1 1 3 3 SER CB C 3 63.865 63.865 63.508 0.357 17850 15 1 . 1 1 3 3 SER H H 3 8.337 8.337 8.507 -0.170 17850 16 1 . 1 1 4 4 ASN N N 4 120.145 120.145 118.204 1.941 17850 17 1 . 1 1 4 4 ASN HA H 4 4.726 4.726 5.172 -0.446 17850 18 1 . 1 1 4 4 ASN C C 4 174.741 174.741 175.220 -0.479 17850 19 1 . 1 1 4 4 ASN CA C 4 53.326 53.326 52.406 0.920 17850 20 1 . 1 1 4 4 ASN CB C 4 38.802 38.802 40.178 -1.376 17850 21 1 . 1 1 4 4 ASN H H 4 8.432 8.432 7.837 0.595 17850 22 1 . 1 1 5 5 LEU N N 5 121.341 121.341 118.175 3.166 17850 23 1 . 1 1 5 5 LEU HA H 5 4.679 4.679 4.583 0.096 17850 24 1 . 1 1 5 5 LEU C C 5 177.641 177.641 177.608 0.033 17850 25 1 . 1 1 5 5 LEU CA C 5 54.465 54.465 52.777 1.688 17850 26 1 . 1 1 5 5 LEU CB C 5 43.713 43.713 44.749 -1.036 17850 27 1 . 1 1 5 5 LEU H H 5 7.966 7.966 8.187 -0.221 17850 28 1 . 1 1 6 6 THR N N 6 113.168 113.168 116.266 -3.098 17850 29 1 . 1 1 6 6 THR HA H 6 4.470 4.470 3.949 0.521 17850 30 1 . 1 1 6 6 THR C C 6 175.390 175.390 176.270 -0.880 17850 31 1 . 1 1 6 6 THR CA C 6 60.543 60.543 65.385 -4.842 17850 32 1 . 1 1 6 6 THR CB C 6 71.190 71.190 68.368 2.822 17850 33 1 . 1 1 6 6 THR H H 6 8.716 8.716 8.852 -0.136 17850 34 1 . 1 1 7 7 GLU N N 7 120.480 120.480 119.323 1.157 17850 35 1 . 1 1 7 7 GLU HA H 7 3.985 3.985 4.146 -0.161 17850 36 1 . 1 1 7 7 GLU C C 7 179.475 179.475 178.899 0.576 17850 37 1 . 1 1 7 7 GLU CA C 7 60.073 60.073 58.563 1.510 17850 38 1 . 1 1 7 7 GLU CB C 7 29.293 29.293 29.516 -0.223 17850 39 1 . 1 1 7 7 GLU H H 7 8.997 8.997 7.811 1.186 17850 40 1 . 1 1 8 8 GLU N N 8 119.766 119.766 118.543 1.223 17850 41 1 . 1 1 8 8 GLU HA H 8 4.087 4.087 4.250 -0.163 17850 42 1 . 1 1 8 8 GLU C C 8 178.641 178.641 179.260 -0.619 17850 43 1 . 1 1 8 8 GLU CA C 8 59.835 59.835 58.806 1.029 17850 44 1 . 1 1 8 8 GLU CB C 8 29.398 29.398 29.885 -0.487 17850 45 1 . 1 1 8 8 GLU H H 8 8.603 8.603 8.000 0.603 17850 46 1 . 1 1 9 9 GLN N N 9 119.234 119.234 117.773 1.461 17850 47 1 . 1 1 9 9 GLN HA H 9 3.929 3.929 4.364 -0.435 17850 48 1 . 1 1 9 9 GLN C C 9 178.969 178.969 177.900 1.069 17850 49 1 . 1 1 9 9 GLN CA C 9 58.718 58.718 56.328 2.390 17850 50 1 . 1 1 9 9 GLN CB C 9 29.582 29.582 26.565 3.017 17850 51 1 . 1 1 9 9 GLN H H 9 7.730 7.730 8.354 -0.624 17850 52 1 . 1 1 10 10 ILE N N 10 119.661 119.661 118.466 1.195 17850 53 1 . 1 1 10 10 ILE HA H 10 3.763 3.763 4.111 -0.348 17850 54 1 . 1 1 10 10 ILE C C 10 178.040 178.040 177.445 0.595 17850 55 1 . 1 1 10 10 ILE CA C 10 66.221 66.221 63.510 2.712 17850 56 1 . 1 1 10 10 ILE CB C 10 37.952 37.952 37.503 0.449 17850 57 1 . 1 1 10 10 ILE H H 10 8.398 8.398 7.940 0.459 17850 58 1 . 1 1 11 11 ALA N N 11 121.678 121.678 122.686 -1.008 17850 59 1 . 1 1 11 11 ALA HA H 11 4.133 4.133 4.068 0.065 17850 60 1 . 1 1 11 11 ALA C C 11 181.140 181.140 179.985 1.155 17850 61 1 . 1 1 11 11 ALA CA C 11 55.454 55.454 54.213 1.241 17850 62 1 . 1 1 11 11 ALA CB C 11 17.912 17.912 18.789 -0.877 17850 63 1 . 1 1 11 11 ALA H H 11 8.037 8.037 7.688 0.349 17850 64 1 . 1 1 12 12 GLU N N 12 118.175 118.175 118.633 -0.458 17850 65 1 . 1 1 12 12 GLU HA H 12 4.118 4.118 4.254 -0.136 17850 66 1 . 1 1 12 12 GLU C C 12 180.185 180.185 178.866 1.319 17850 67 1 . 1 1 12 12 GLU CA C 12 59.195 59.195 59.510 -0.315 17850 68 1 . 1 1 12 12 GLU CB C 12 29.379 29.379 28.848 0.531 17850 69 1 . 1 1 12 12 GLU H H 12 7.869 7.869 7.600 0.269 17850 70 1 . 1 1 13 13 PHE N N 13 119.011 119.011 119.091 -0.080 17850 71 1 . 1 1 13 13 PHE HA H 13 4.890 4.890 4.080 0.810 17850 72 1 . 1 1 13 13 PHE C C 13 178.486 178.486 178.177 0.309 17850 73 1 . 1 1 13 13 PHE CA C 13 60.449 60.449 61.514 -1.065 17850 74 1 . 1 1 13 13 PHE CB C 13 38.899 38.899 38.301 0.598 17850 75 1 . 1 1 13 13 PHE H H 13 8.429 8.429 8.002 0.427 17850 76 1 . 1 1 14 14 LYS N N 14 123.459 123.459 118.558 4.901 17850 77 1 . 1 1 14 14 LYS HA H 14 4.032 4.032 4.123 -0.091 17850 78 1 . 1 1 14 14 LYS C C 14 179.131 179.131 178.935 0.196 17850 79 1 . 1 1 14 14 LYS CA C 14 60.490 60.490 58.914 1.575 17850 80 1 . 1 1 14 14 LYS CB C 14 31.913 31.913 32.132 -0.219 17850 81 1 . 1 1 14 14 LYS H H 14 8.925 8.925 8.313 0.612 17850 82 1 . 1 1 15 15 GLU N N 15 119.581 119.581 118.602 0.979 17850 83 1 . 1 1 15 15 GLU HA H 15 4.168 4.168 4.332 -0.164 17850 84 1 . 1 1 15 15 GLU C C 15 179.163 179.163 177.790 1.374 17850 85 1 . 1 1 15 15 GLU CA C 15 59.385 59.385 58.887 0.498 17850 86 1 . 1 1 15 15 GLU CB C 15 29.387 29.387 29.397 -0.010 17850 87 1 . 1 1 15 15 GLU H H 15 8.064 8.064 8.020 0.044 17850 88 1 . 1 1 16 16 ALA N N 16 120.993 120.993 121.643 -0.650 17850 89 1 . 1 1 16 16 ALA HA H 16 4.242 4.242 3.336 0.906 17850 90 1 . 1 1 16 16 ALA C C 16 177.628 177.628 178.203 -0.575 17850 91 1 . 1 1 16 16 ALA CA C 16 55.185 55.185 52.742 2.443 17850 92 1 . 1 1 16 16 ALA CB C 16 17.924 17.924 19.563 -1.639 17850 93 1 . 1 1 16 16 ALA H H 16 7.801 7.801 7.907 -0.106 17850 94 1 . 1 1 17 17 PHE N N 17 118.745 118.745 119.613 -0.868 17850 95 1 . 1 1 17 17 PHE HA H 17 3.354 3.354 4.359 -1.005 17850 96 1 . 1 1 17 17 PHE C C 17 177.500 177.500 176.987 0.513 17850 97 1 . 1 1 17 17 PHE CA C 17 61.700 61.700 60.099 1.601 17850 98 1 . 1 1 17 17 PHE CB C 17 39.978 39.978 38.081 1.897 17850 99 1 . 1 1 17 17 PHE H H 17 8.469 8.469 7.964 0.505 17850 100 1 . 1 1 18 18 ALA N N 18 119.942 119.942 118.070 1.872 17850 101 1 . 1 1 18 18 ALA HA H 18 4.010 4.010 3.716 0.294 17850 102 1 . 1 1 18 18 ALA C C 18 178.535 178.535 178.492 0.043 17850 103 1 . 1 1 18 18 ALA CA C 18 54.416 54.416 54.229 0.187 17850 104 1 . 1 1 18 18 ALA CB C 18 18.487 18.487 18.322 0.165 17850 105 1 . 1 1 18 18 ALA H H 18 8.187 8.187 7.190 0.997 17850 106 1 . 1 1 19 19 LEU N N 19 116.851 116.851 114.241 2.610 17850 107 1 . 1 1 19 19 LEU HA H 19 3.960 3.960 4.279 -0.319 17850 108 1 . 1 1 19 19 LEU C C 19 176.795 176.795 177.351 -0.556 17850 109 1 . 1 1 19 19 LEU CA C 19 57.435 57.435 54.714 2.721 17850 110 1 . 1 1 19 19 LEU CB C 19 41.682 41.682 43.046 -1.364 17850 111 1 . 1 1 19 19 LEU H H 19 7.254 7.254 7.272 -0.018 17850 112 1 . 1 1 20 20 PHE N N 20 111.977 111.977 120.977 -9.000 17850 113 1 . 1 1 20 20 PHE HA H 20 4.259 4.259 4.164 0.095 17850 114 1 . 1 1 20 20 PHE C C 20 177.033 177.033 176.562 0.471 17850 115 1 . 1 1 20 20 PHE CA C 20 58.656 58.656 59.075 -0.419 17850 116 1 . 1 1 20 20 PHE CB C 20 42.164 42.164 37.730 4.434 17850 117 1 . 1 1 20 20 PHE H H 20 7.041 7.041 7.913 -0.872 17850 118 1 . 1 1 21 21 ASP N N 21 116.981 116.981 124.465 -7.484 17850 119 1 . 1 1 21 21 ASP HA H 21 4.585 4.585 4.370 0.215 17850 120 1 . 1 1 21 21 ASP C C 21 177.297 177.297 177.386 -0.089 17850 121 1 . 1 1 21 21 ASP CA C 21 52.671 52.671 56.134 -3.463 17850 122 1 . 1 1 21 21 ASP CB C 21 39.002 39.002 40.450 -1.448 17850 123 1 . 1 1 21 21 ASP H H 21 7.567 7.567 8.238 -0.671 17850 124 1 . 1 1 22 22 LYS N N 22 124.748 124.748 115.834 8.914 17850 125 1 . 1 1 22 22 LYS HA H 22 3.992 3.992 4.153 -0.161 17850 126 1 . 1 1 22 22 LYS C C 22 177.866 177.866 176.006 1.860 17850 127 1 . 1 1 22 22 LYS CA C 22 58.233 58.233 56.473 1.760 17850 128 1 . 1 1 22 22 LYS CB C 22 32.627 32.627 32.295 0.332 17850 129 1 . 1 1 22 22 LYS H H 22 7.820 7.820 8.197 -0.377 17850 130 1 . 1 1 23 23 ASP N N 23 114.211 114.211 117.252 -3.041 17850 131 1 . 1 1 23 23 ASP HA H 23 4.603 4.603 4.427 0.176 17850 132 1 . 1 1 23 23 ASP C C 23 176.266 176.266 175.572 0.694 17850 133 1 . 1 1 23 23 ASP CA C 23 52.647 52.647 54.921 -2.274 17850 134 1 . 1 1 23 23 ASP CB C 23 39.283 39.283 39.367 -0.084 17850 135 1 . 1 1 23 23 ASP H H 23 8.025 8.025 8.260 -0.235 17850 136 1 . 1 1 24 24 ASN N N 24 115.587 115.587 117.390 -1.803 17850 137 1 . 1 1 24 24 ASN HA H 24 4.389 4.389 4.738 -0.349 17850 138 1 . 1 1 24 24 ASN C C 24 174.828 174.828 176.342 -1.514 17850 139 1 . 1 1 24 24 ASN CA C 24 54.507 54.507 52.881 1.626 17850 140 1 . 1 1 24 24 ASN CB C 24 38.031 38.031 38.902 -0.871 17850 141 1 . 1 1 24 24 ASN H H 24 7.962 7.962 8.374 -0.412 17850 142 1 . 1 1 25 25 ASN N N 25 117.385 117.385 118.270 -0.885 17850 143 1 . 1 1 25 25 ASN HA H 25 4.848 4.848 4.611 0.237 17850 144 1 . 1 1 25 25 ASN C C 25 177.553 177.553 174.210 3.343 17850 145 1 . 1 1 25 25 ASN CA C 25 52.315 52.315 53.114 -0.798 17850 146 1 . 1 1 25 25 ASN H H 25 8.489 8.489 8.089 0.400 17850 147 1 . 1 1 26 26 GLY N N 26 113.934 113.934 107.163 6.771 17850 148 1 . 1 1 26 26 GLY C C 26 173.371 173.371 173.601 -0.231 17850 149 1 . 1 1 26 26 GLY CA C 26 45.538 45.538 45.110 0.428 17850 150 1 . 1 1 26 26 GLY H H 26 10.580 10.580 8.337 2.243 17850 151 1 . 1 1 27 27 SER N N 27 113.842 113.842 122.119 -8.277 17850 152 1 . 1 1 27 27 SER HA H 27 5.358 5.358 4.679 0.679 17850 153 1 . 1 1 27 27 SER C C 27 172.645 172.645 174.915 -2.270 17850 154 1 . 1 1 27 27 SER CA C 27 57.474 57.474 57.640 -0.166 17850 155 1 . 1 1 27 27 SER CB C 27 66.576 66.576 63.277 3.299 17850 156 1 . 1 1 27 27 SER H H 27 7.793 7.793 9.032 -1.239 17850 157 1 . 1 1 28 28 ILE N N 28 127.597 127.597 128.110 -0.513 17850 158 1 . 1 1 28 28 ILE HA H 28 4.825 4.825 4.213 0.612 17850 159 1 . 1 1 28 28 ILE C C 28 175.890 175.890 177.315 -1.425 17850 160 1 . 1 1 28 28 ILE CA C 28 60.176 60.176 60.484 -0.308 17850 161 1 . 1 1 28 28 ILE CB C 28 39.094 39.094 39.782 -0.688 17850 162 1 . 1 1 28 28 ILE H H 28 9.787 9.787 8.927 0.860 17850 163 1 . 1 1 29 29 SER N N 29 124.860 124.860 117.505 7.355 17850 164 1 . 1 1 29 29 SER HA H 29 4.813 4.813 4.126 0.687 17850 165 1 . 1 1 29 29 SER C C 29 175.477 175.477 176.694 -1.217 17850 166 1 . 1 1 29 29 SER CA C 29 56.583 56.583 61.035 -4.452 17850 167 1 . 1 1 29 29 SER CB C 29 66.269 66.269 62.723 3.546 17850 168 1 . 1 1 29 29 SER H H 29 9.320 9.320 8.469 0.851 17850 169 1 . 1 1 30 30 SER N N 30 117.383 117.383 116.447 0.936 17850 170 1 . 1 1 30 30 SER HA H 30 4.141 4.141 4.357 -0.216 17850 171 1 . 1 1 30 30 SER C C 30 176.531 176.531 175.474 1.057 17850 172 1 . 1 1 30 30 SER CA C 30 62.690 62.690 60.729 1.961 17850 173 1 . 1 1 30 30 SER CB C 30 62.264 62.264 63.202 -0.938 17850 174 1 . 1 1 30 30 SER H H 30 9.554 9.554 7.961 1.593 17850 175 1 . 1 1 31 31 SER N N 31 116.232 116.232 115.994 0.238 17850 176 1 . 1 1 31 31 SER HA H 31 4.309 4.309 4.329 -0.020 17850 177 1 . 1 1 31 31 SER C C 31 178.017 178.017 176.274 1.743 17850 178 1 . 1 1 31 31 SER CA C 31 61.332 61.332 60.034 1.298 17850 179 1 . 1 1 31 31 SER CB C 31 62.512 62.512 63.683 -1.171 17850 180 1 . 1 1 31 31 SER H H 31 8.141 8.141 7.722 0.419 17850 181 1 . 1 1 32 32 GLU N N 32 125.663 125.663 119.839 5.824 17850 182 1 . 1 1 32 32 GLU HA H 32 4.053 4.053 4.070 -0.017 17850 183 1 . 1 1 32 32 GLU C C 32 179.222 179.222 177.843 1.379 17850 184 1 . 1 1 32 32 GLU CA C 32 59.699 59.699 59.566 0.133 17850 185 1 . 1 1 32 32 GLU CB C 32 29.252 29.252 29.678 -0.426 17850 186 1 . 1 1 32 32 GLU H H 32 7.947 7.947 8.570 -0.624 17850 187 1 . 1 1 33 33 LEU N N 33 120.624 120.624 117.988 2.636 17850 188 1 . 1 1 33 33 LEU HA H 33 4.168 4.168 4.087 0.081 17850 189 1 . 1 1 33 33 LEU C C 33 178.493 178.493 178.651 -0.158 17850 190 1 . 1 1 33 33 LEU CA C 33 58.907 58.907 57.442 1.465 17850 191 1 . 1 1 33 33 LEU CB C 33 42.317 42.317 41.072 1.245 17850 192 1 . 1 1 33 33 LEU H H 33 8.424 8.424 8.001 0.423 17850 193 1 . 1 1 34 34 ALA N N 34 119.635 119.635 121.108 -1.473 17850 194 1 . 1 1 34 34 ALA HA H 34 3.824 3.824 4.062 -0.238 17850 195 1 . 1 1 34 34 ALA C C 34 179.360 179.360 178.758 0.602 17850 196 1 . 1 1 34 34 ALA CA C 34 55.596 55.596 55.898 -0.302 17850 197 1 . 1 1 34 34 ALA CB C 34 18.677 18.677 18.879 -0.202 17850 198 1 . 1 1 34 34 ALA H H 34 8.410 8.410 7.944 0.466 17850 199 1 . 1 1 35 35 THR N N 35 114.602 114.602 116.372 -1.770 17850 200 1 . 1 1 35 35 THR HA H 35 3.886 3.886 3.988 -0.102 17850 201 1 . 1 1 35 35 THR C C 35 177.278 177.278 175.927 1.351 17850 202 1 . 1 1 35 35 THR CA C 35 67.317 67.317 65.399 1.918 17850 203 1 . 1 1 35 35 THR CB C 35 68.774 68.774 69.213 -0.439 17850 204 1 . 1 1 35 35 THR H H 35 8.263 8.263 7.827 0.436 17850 205 1 . 1 1 36 36 VAL N N 36 122.295 122.295 118.249 4.046 17850 206 1 . 1 1 36 36 VAL HA H 36 3.605 3.605 3.573 0.032 17850 207 1 . 1 1 36 36 VAL C C 36 178.653 178.653 178.227 0.426 17850 208 1 . 1 1 36 36 VAL CA C 36 66.738 66.738 66.646 0.092 17850 209 1 . 1 1 36 36 VAL CB C 36 31.303 31.303 31.117 0.186 17850 210 1 . 1 1 36 36 VAL H H 36 7.790 7.790 7.689 0.101 17850 211 1 . 1 1 37 37 MET N N 37 117.677 117.677 116.803 0.874 17850 212 1 . 1 1 37 37 MET HA H 37 3.642 3.642 4.374 -0.732 17850 213 1 . 1 1 37 37 MET C C 37 178.172 178.172 179.078 -0.906 17850 214 1 . 1 1 37 37 MET CA C 37 60.506 60.506 58.084 2.422 17850 215 1 . 1 1 37 37 MET CB C 37 32.347 32.347 31.718 0.629 17850 216 1 . 1 1 37 37 MET H H 37 8.081 8.081 7.982 0.099 17850 217 1 . 1 1 38 38 ARG N N 38 118.309 118.309 120.449 -2.140 17850 218 1 . 1 1 38 38 ARG HA H 38 4.688 4.688 4.062 0.626 17850 219 1 . 1 1 38 38 ARG C C 38 181.486 181.486 177.417 4.069 17850 220 1 . 1 1 38 38 ARG CA C 38 59.101 59.101 58.744 0.357 17850 221 1 . 1 1 38 38 ARG CB C 38 30.012 30.012 29.767 0.245 17850 222 1 . 1 1 38 38 ARG H H 38 8.547 8.547 7.759 0.788 17850 223 1 . 1 1 39 39 SER N N 39 119.250 119.250 111.003 8.247 17850 224 1 . 1 1 39 39 SER HA H 39 4.301 4.301 4.278 0.023 17850 225 1 . 1 1 39 39 SER C C 39 174.899 174.899 174.835 0.064 17850 226 1 . 1 1 39 39 SER CA C 39 61.925 61.925 58.889 3.036 17850 227 1 . 1 1 39 39 SER CB C 39 62.773 62.773 63.536 -0.763 17850 228 1 . 1 1 39 39 SER H H 39 8.226 8.226 7.765 0.461 17850 229 1 . 1 1 40 40 LEU N N 40 119.516 119.516 117.025 2.491 17850 230 1 . 1 1 40 40 LEU HA H 40 4.270 4.270 4.056 0.214 17850 231 1 . 1 1 40 40 LEU C C 40 176.681 176.681 176.474 0.207 17850 232 1 . 1 1 40 40 LEU CA C 40 54.583 54.583 54.324 0.259 17850 233 1 . 1 1 40 40 LEU H H 40 7.343 7.343 7.687 -0.344 17850 234 1 . 1 1 41 41 GLY N N 41 105.983 105.983 107.840 -1.857 17850 235 1 . 1 1 41 41 GLY C C 41 174.471 174.471 175.063 -0.592 17850 236 1 . 1 1 41 41 GLY CA C 41 45.239 45.239 44.782 0.457 17850 237 1 . 1 1 41 41 GLY H H 41 7.858 7.858 7.993 -0.135 17850 238 1 . 1 1 42 42 LEU N N 42 120.442 120.442 118.622 1.821 17850 239 1 . 1 1 42 42 LEU HA H 42 4.471 4.471 4.526 -0.055 17850 240 1 . 1 1 42 42 LEU C C 42 175.965 175.965 174.474 1.491 17850 241 1 . 1 1 42 42 LEU CA C 42 54.245 54.245 52.911 1.334 17850 242 1 . 1 1 42 42 LEU CB C 42 42.531 42.531 42.312 0.219 17850 243 1 . 1 1 42 42 LEU H H 42 7.707 7.707 8.330 -0.623 17850 244 1 . 1 1 43 43 SER HA H 43 4.798 4.798 4.568 0.230 17850 245 1 . 1 1 43 43 SER CA C 43 54.912 54.912 57.397 -2.485 17850 246 1 . 1 1 43 43 SER CB C 43 63.197 63.197 63.211 -0.014 17850 247 1 . 1 1 44 44 PRO HA H 44 4.792 4.792 4.468 0.324 17850 248 1 . 1 1 44 44 PRO CA C 44 61.881 61.881 62.495 -0.614 17850 249 1 . 1 1 44 44 PRO CB C 44 32.200 32.200 33.296 -1.096 17850 250 1 . 1 1 45 45 SER N N 45 119.898 119.898 122.060 -2.162 17850 251 1 . 1 1 45 45 SER HA H 45 4.611 4.611 4.028 0.583 17850 252 1 . 1 1 45 45 SER C C 45 174.913 174.913 176.270 -1.357 17850 253 1 . 1 1 45 45 SER CA C 45 56.689 56.689 61.688 -4.999 17850 254 1 . 1 1 45 45 SER CB C 45 65.502 65.502 63.358 2.144 17850 255 1 . 1 1 45 45 SER H H 45 9.387 9.387 9.064 0.323 17850 256 1 . 1 1 46 46 GLU N N 46 121.468 121.468 118.312 3.156 17850 257 1 . 1 1 46 46 GLU HA H 46 3.939 3.939 4.160 -0.221 17850 258 1 . 1 1 46 46 GLU C C 46 179.002 179.002 178.830 0.172 17850 259 1 . 1 1 46 46 GLU CA C 46 60.135 60.135 59.355 0.780 17850 260 1 . 1 1 46 46 GLU CB C 46 29.347 29.347 28.833 0.514 17850 261 1 . 1 1 46 46 GLU H H 46 8.913 8.913 8.511 0.402 17850 262 1 . 1 1 47 47 ALA N N 47 121.115 121.115 121.714 -0.599 17850 263 1 . 1 1 47 47 ALA HA H 47 4.152 4.152 4.135 0.017 17850 264 1 . 1 1 47 47 ALA C C 47 179.962 179.962 180.173 -0.211 17850 265 1 . 1 1 47 47 ALA CA C 47 55.118 55.118 54.608 0.510 17850 266 1 . 1 1 47 47 ALA CB C 47 18.355 18.355 19.138 -0.783 17850 267 1 . 1 1 47 47 ALA H H 47 8.324 8.324 7.677 0.647 17850 268 1 . 1 1 48 48 GLU N N 48 118.713 118.713 119.870 -1.157 17850 269 1 . 1 1 48 48 GLU HA H 48 4.104 4.104 3.811 0.293 17850 270 1 . 1 1 48 48 GLU C C 48 179.558 179.558 178.332 1.226 17850 271 1 . 1 1 48 48 GLU CA C 48 59.218 59.218 61.071 -1.853 17850 272 1 . 1 1 48 48 GLU CB C 48 29.904 29.904 28.903 1.001 17850 273 1 . 1 1 48 48 GLU H H 48 7.756 7.756 8.938 -1.182 17850 274 1 . 1 1 49 49 VAL N N 49 119.108 119.108 119.758 -0.650 17850 275 1 . 1 1 49 49 VAL HA H 49 3.464 3.464 3.889 -0.425 17850 276 1 . 1 1 49 49 VAL C C 49 177.505 177.505 178.048 -0.543 17850 277 1 . 1 1 49 49 VAL CA C 49 67.471 67.471 65.193 2.278 17850 278 1 . 1 1 49 49 VAL CB C 49 31.441 31.441 31.323 0.118 17850 279 1 . 1 1 49 49 VAL H H 49 8.129 8.129 7.683 0.446 17850 280 1 . 1 1 50 50 ASN N N 50 117.942 117.942 118.692 -0.750 17850 281 1 . 1 1 50 50 ASN HA H 50 4.388 4.388 4.501 -0.113 17850 282 1 . 1 1 50 50 ASN C C 50 177.275 177.275 177.103 0.172 17850 283 1 . 1 1 50 50 ASN CA C 50 56.781 56.781 55.648 1.133 17850 284 1 . 1 1 50 50 ASN CB C 50 38.397 38.397 38.450 -0.053 17850 285 1 . 1 1 50 50 ASN H H 50 8.071 8.071 7.717 0.354 17850 286 1 . 1 1 51 51 ASP N N 51 120.669 120.669 118.645 2.024 17850 287 1 . 1 1 51 51 ASP HA H 51 4.491 4.491 4.577 -0.086 17850 288 1 . 1 1 51 51 ASP C C 51 179.203 179.203 178.187 1.016 17850 289 1 . 1 1 51 51 ASP CA C 51 57.595 57.595 56.399 1.196 17850 290 1 . 1 1 51 51 ASP CB C 51 40.314 40.314 41.084 -0.770 17850 291 1 . 1 1 51 51 ASP H H 51 8.364 8.364 8.273 0.091 17850 292 1 . 1 1 52 52 LEU N N 52 122.409 122.409 117.833 4.576 17850 293 1 . 1 1 52 52 LEU HA H 52 4.070 4.070 4.107 -0.037 17850 294 1 . 1 1 52 52 LEU C C 52 179.017 179.017 177.899 1.118 17850 295 1 . 1 1 52 52 LEU CA C 52 58.457 58.457 57.830 0.627 17850 296 1 . 1 1 52 52 LEU CB C 52 42.081 42.081 41.548 0.533 17850 297 1 . 1 1 52 52 LEU H H 52 8.018 8.018 8.467 -0.449 17850 298 1 . 1 1 53 53 MET N N 53 117.391 117.391 118.322 -0.931 17850 299 1 . 1 1 53 53 MET HA H 53 4.112 4.112 4.455 -0.343 17850 300 1 . 1 1 53 53 MET CA C 53 57.472 57.472 57.399 0.073 17850 301 1 . 1 1 53 53 MET CB C 53 30.021 30.021 33.104 -3.083 17850 302 1 . 1 1 53 53 MET H H 53 8.562 8.562 8.486 0.076 17850 303 1 . 1 1 54 54 ASN N N 54 115.554 115.554 116.117 -0.563 17850 304 1 . 1 1 54 54 ASN HA H 54 4.558 4.558 4.679 -0.121 17850 305 1 . 1 1 54 54 ASN C C 54 176.801 176.801 175.403 1.398 17850 306 1 . 1 1 54 54 ASN CA C 54 55.297 55.297 53.934 1.363 17850 307 1 . 1 1 54 54 ASN CB C 54 38.157 38.157 39.082 -0.925 17850 308 1 . 1 1 54 54 ASN H H 54 8.204 8.204 7.834 0.370 17850 309 1 . 1 1 55 55 GLU N N 55 117.659 117.659 115.350 2.309 17850 310 1 . 1 1 55 55 GLU HA H 55 4.202 4.202 4.398 -0.196 17850 311 1 . 1 1 55 55 GLU C C 55 177.093 177.093 176.851 0.242 17850 312 1 . 1 1 55 55 GLU CA C 55 57.827 57.827 55.669 2.158 17850 313 1 . 1 1 55 55 GLU CB C 55 30.020 30.020 30.278 -0.258 17850 314 1 . 1 1 55 55 GLU H H 55 7.617 7.617 7.329 0.288 17850 315 1 . 1 1 56 56 ILE N N 56 117.618 117.618 123.220 -5.602 17850 316 1 . 1 1 56 56 ILE HA H 56 3.884 3.884 4.190 -0.306 17850 317 1 . 1 1 56 56 ILE C C 56 176.029 176.029 176.963 -0.934 17850 318 1 . 1 1 56 56 ILE CA C 56 62.814 62.814 62.988 -0.174 17850 319 1 . 1 1 56 56 ILE CB C 56 39.928 39.928 38.316 1.612 17850 320 1 . 1 1 56 56 ILE H H 56 7.472 7.472 7.886 -0.414 17850 321 1 . 1 1 57 57 ASP N N 57 118.636 118.636 125.406 -6.770 17850 322 1 . 1 1 57 57 ASP HA H 57 4.412 4.412 4.530 -0.118 17850 323 1 . 1 1 57 57 ASP C C 57 175.691 175.691 176.485 -0.794 17850 324 1 . 1 1 57 57 ASP CA C 57 54.533 54.533 55.476 -0.943 17850 325 1 . 1 1 57 57 ASP CB C 57 41.245 41.245 41.142 0.103 17850 326 1 . 1 1 57 57 ASP H H 57 8.304 8.304 8.708 -0.404 17850 327 1 . 1 1 58 58 VAL N N 58 126.376 126.376 117.620 8.756 17850 328 1 . 1 1 58 58 VAL HA H 58 3.994 3.994 4.131 -0.138 17850 329 1 . 1 1 58 58 VAL C C 58 177.258 177.258 176.795 0.463 17850 330 1 . 1 1 58 58 VAL CA C 58 64.334 64.334 61.791 2.543 17850 331 1 . 1 1 58 58 VAL CB C 58 33.307 33.307 32.083 1.224 17850 332 1 . 1 1 58 58 VAL H H 58 7.926 7.926 7.517 0.409 17850 333 1 . 1 1 59 59 ASP N N 59 117.093 117.093 119.879 -2.786 17850 334 1 . 1 1 59 59 ASP HA H 59 4.557 4.557 4.268 0.288 17850 335 1 . 1 1 59 59 ASP C C 59 177.759 177.759 176.852 0.907 17850 336 1 . 1 1 59 59 ASP CA C 59 53.876 53.876 54.960 -1.084 17850 337 1 . 1 1 59 59 ASP H H 59 8.363 8.363 8.350 0.013 17850 338 1 . 1 1 60 60 GLY N N 60 108.290 108.290 108.232 0.057 17850 339 1 . 1 1 60 60 GLY C C 60 174.700 174.700 174.887 -0.187 17850 340 1 . 1 1 60 60 GLY CA C 60 47.120 47.120 43.912 3.208 17850 341 1 . 1 1 60 60 GLY H H 60 7.636 7.636 8.892 -1.256 17850 342 1 . 1 1 61 61 ASN N N 61 118.884 118.884 116.221 2.663 17850 343 1 . 1 1 61 61 ASN HA H 61 4.529 4.529 4.297 0.232 17850 344 1 . 1 1 61 61 ASN C C 61 175.856 175.856 172.938 2.918 17850 345 1 . 1 1 61 61 ASN CA C 61 52.360 52.360 54.891 -2.531 17850 346 1 . 1 1 61 61 ASN CB C 61 37.177 37.177 36.783 0.394 17850 347 1 . 1 1 61 61 ASN H H 61 8.078 8.078 8.642 -0.564 17850 348 1 . 1 1 62 62 HIS N N 62 117.381 117.381 112.249 5.132 17850 349 1 . 1 1 62 62 HIS HA H 62 3.877 3.877 5.063 -1.186 17850 350 1 . 1 1 62 62 HIS C C 62 172.310 172.310 173.366 -1.056 17850 351 1 . 1 1 62 62 HIS CA C 62 56.373 56.373 54.260 2.113 17850 352 1 . 1 1 62 62 HIS CB C 62 26.734 26.734 35.323 -8.589 17850 353 1 . 1 1 62 62 HIS H H 62 9.958 9.958 8.326 1.632 17850 354 1 . 1 1 63 63 GLN N N 63 112.906 112.906 119.293 -6.387 17850 355 1 . 1 1 63 63 GLN HA H 63 4.832 4.832 4.976 -0.144 17850 356 1 . 1 1 63 63 GLN C C 63 174.861 174.861 175.895 -1.034 17850 357 1 . 1 1 63 63 GLN CA C 63 53.875 53.875 54.331 -0.456 17850 358 1 . 1 1 63 63 GLN CB C 63 32.150 32.150 30.575 1.575 17850 359 1 . 1 1 63 63 GLN H H 63 7.535 7.535 8.208 -0.673 17850 360 1 . 1 1 64 64 ILE N N 64 124.083 124.083 126.887 -2.804 17850 361 1 . 1 1 64 64 ILE HA H 64 5.072 5.072 4.788 0.284 17850 362 1 . 1 1 64 64 ILE C C 64 176.670 176.670 176.361 0.309 17850 363 1 . 1 1 64 64 ILE CA C 64 59.671 59.671 59.871 -0.200 17850 364 1 . 1 1 64 64 ILE CB C 64 39.167 39.167 40.699 -1.532 17850 365 1 . 1 1 64 64 ILE H H 64 9.274 9.274 8.648 0.626 17850 366 1 . 1 1 65 65 GLU N N 65 129.276 129.276 120.646 8.630 17850 367 1 . 1 1 65 65 GLU HA H 65 5.040 5.040 2.833 2.207 17850 368 1 . 1 1 65 65 GLU C C 65 178.156 178.156 176.738 1.418 17850 369 1 . 1 1 65 65 GLU CA C 65 57.848 57.848 57.468 0.380 17850 370 1 . 1 1 65 65 GLU CB C 65 31.180 31.180 29.576 1.604 17850 371 1 . 1 1 65 65 GLU H H 65 8.848 8.848 9.054 -0.206 17850 372 1 . 1 1 66 66 PHE N N 66 124.260 124.260 118.943 5.317 17850 373 1 . 1 1 66 66 PHE HA H 66 3.690 3.690 3.960 -0.270 17850 374 1 . 1 1 66 66 PHE C C 66 177.294 177.294 176.908 0.386 17850 375 1 . 1 1 66 66 PHE CA C 66 62.020 62.020 60.264 1.756 17850 376 1 . 1 1 66 66 PHE CB C 66 37.954 37.954 38.786 -0.832 17850 377 1 . 1 1 66 66 PHE H H 66 9.353 9.353 8.053 1.300 17850 378 1 . 1 1 67 67 SER N N 67 112.827 112.827 117.865 -5.038 17850 379 1 . 1 1 67 67 SER HA H 67 3.726 3.726 4.122 -0.396 17850 380 1 . 1 1 67 67 SER C C 67 177.352 177.352 176.348 1.004 17850 381 1 . 1 1 67 67 SER CA C 67 61.581 61.581 60.955 0.626 17850 382 1 . 1 1 67 67 SER CB C 67 61.379 61.379 62.961 -1.582 17850 383 1 . 1 1 67 67 SER H H 67 9.035 9.035 8.028 1.007 17850 384 1 . 1 1 68 68 GLU N N 68 123.071 123.071 120.272 2.799 17850 385 1 . 1 1 68 68 GLU HA H 68 4.135 4.135 3.976 0.159 17850 386 1 . 1 1 68 68 GLU C C 68 178.895 178.895 177.907 0.988 17850 387 1 . 1 1 68 68 GLU CA C 68 57.978 57.978 60.118 -2.139 17850 388 1 . 1 1 68 68 GLU CB C 68 29.277 29.277 30.178 -0.901 17850 389 1 . 1 1 68 68 GLU H H 68 6.829 6.829 8.529 -1.700 17850 390 1 . 1 1 69 69 PHE N N 69 123.805 123.805 116.871 6.934 17850 391 1 . 1 1 69 69 PHE HA H 69 3.899 3.899 4.013 -0.114 17850 392 1 . 1 1 69 69 PHE C C 69 176.325 176.325 176.345 -0.020 17850 393 1 . 1 1 69 69 PHE CA C 69 61.426 61.426 60.292 1.134 17850 394 1 . 1 1 69 69 PHE CB C 69 40.428 40.428 37.673 2.755 17850 395 1 . 1 1 69 69 PHE H H 69 8.245 8.245 7.511 0.734 17850 396 1 . 1 1 70 70 LEU N N 70 119.210 119.210 118.699 0.511 17850 397 1 . 1 1 70 70 LEU HA H 70 3.236 3.236 4.012 -0.776 17850 398 1 . 1 1 70 70 LEU C C 70 179.131 179.131 178.204 0.927 17850 399 1 . 1 1 70 70 LEU CA C 70 57.477 57.477 56.560 0.917 17850 400 1 . 1 1 70 70 LEU CB C 70 41.328 41.328 41.405 -0.077 17850 401 1 . 1 1 70 70 LEU H H 70 8.788 8.788 7.510 1.278 17850 402 1 . 1 1 71 71 ALA N N 71 121.612 121.612 121.748 -0.136 17850 403 1 . 1 1 71 71 ALA HA H 71 3.909 3.909 4.013 -0.104 17850 404 1 . 1 1 71 71 ALA C C 71 179.804 179.804 179.300 0.504 17850 405 1 . 1 1 71 71 ALA CA C 71 55.116 55.116 54.797 0.319 17850 406 1 . 1 1 71 71 ALA CB C 71 17.762 17.762 18.983 -1.221 17850 407 1 . 1 1 71 71 ALA H H 71 7.365 7.365 7.457 -0.092 17850 408 1 . 1 1 72 72 LEU N N 72 118.944 118.944 118.704 0.240 17850 409 1 . 1 1 72 72 LEU HA H 72 3.964 3.964 3.960 0.004 17850 410 1 . 1 1 72 72 LEU C C 72 178.415 178.415 178.363 0.052 17850 411 1 . 1 1 72 72 LEU CA C 72 57.817 57.817 57.096 0.721 17850 412 1 . 1 1 72 72 LEU CB C 72 41.468 41.468 41.543 -0.075 17850 413 1 . 1 1 72 72 LEU H H 72 7.142 7.142 7.560 -0.418 17850 414 1 . 1 1 73 73 MET N N 73 114.500 114.500 115.621 -1.121 17850 415 1 . 1 1 73 73 MET HA H 73 3.978 3.978 4.462 -0.484 17850 416 1 . 1 1 73 73 MET C C 73 178.283 178.283 176.239 2.044 17850 417 1 . 1 1 73 73 MET CA C 73 55.701 55.701 55.943 -0.242 17850 418 1 . 1 1 73 73 MET CB C 73 30.742 30.742 32.685 -1.943 17850 419 1 . 1 1 73 73 MET H H 73 7.726 7.726 7.561 0.165 17850 420 1 . 1 1 74 74 SER N N 74 112.626 112.626 115.557 -2.931 17850 421 1 . 1 1 74 74 SER HA H 74 4.287 4.287 4.616 -0.329 17850 422 1 . 1 1 74 74 SER C C 74 174.717 174.717 173.892 0.825 17850 423 1 . 1 1 74 74 SER CA C 74 59.582 59.582 58.234 1.348 17850 424 1 . 1 1 74 74 SER CB C 74 63.746 63.746 63.856 -0.110 17850 425 1 . 1 1 74 74 SER H H 74 7.857 7.857 7.947 -0.089 17850 426 1 . 1 1 75 75 ARG N N 75 122.130 122.130 119.415 2.715 17850 427 1 . 1 1 75 75 ARG HA H 75 4.147 4.147 4.384 -0.237 17850 428 1 . 1 1 75 75 ARG CA C 75 57.775 57.775 56.435 1.340 17850 429 1 . 1 1 75 75 ARG CB C 75 30.666 30.666 31.329 -0.663 17850 430 1 . 1 1 75 75 ARG H H 75 7.208 7.208 7.972 -0.764 17850 431 1 . 1 1 76 76 GLN N N 76 121.749 121.749 117.705 4.045 17850 432 1 . 1 1 76 76 GLN HA H 76 4.284 4.284 4.487 -0.203 17850 433 1 . 1 1 76 76 GLN CA C 76 56.193 56.193 56.055 0.138 17850 434 1 . 1 1 76 76 GLN CB C 76 29.057 29.057 29.522 -0.465 17850 435 1 . 1 1 76 76 GLN H H 76 8.327 8.327 7.874 0.453 17850 436 1 . 1 1 77 77 LEU N N 77 124.093 124.093 122.108 1.985 17850 437 1 . 1 1 77 77 LEU HA H 77 4.439 4.439 4.416 0.023 17850 438 1 . 1 1 77 77 LEU C C 77 177.670 177.670 177.068 0.602 17850 439 1 . 1 1 77 77 LEU CA C 77 55.283 55.283 55.408 -0.125 17850 440 1 . 1 1 77 77 LEU CB C 77 42.780 42.780 42.824 -0.044 17850 441 1 . 1 1 77 77 LEU H H 77 8.264 8.264 8.452 -0.188 17850 442 1 . 1 1 78 78 LYS N N 78 121.053 121.053 119.374 1.679 17850 443 1 . 1 1 78 78 LYS HA H 78 4.407 4.407 4.303 0.104 17850 444 1 . 1 1 78 78 LYS CA C 78 56.185 56.185 57.314 -1.129 17850 445 1 . 1 1 78 78 LYS CB C 78 33.277 33.277 33.018 0.259 17850 446 1 . 1 1 78 78 LYS H H 78 8.433 8.433 8.316 0.117 17850 447 1 . 1 1 79 79 SER N N 79 116.423 116.423 117.107 -0.684 17850 448 1 . 1 1 79 79 SER HA H 79 4.321 4.321 4.560 -0.239 17850 449 1 . 1 1 79 79 SER C C 79 175.145 175.145 174.042 1.103 17850 450 1 . 1 1 79 79 SER CA C 79 59.795 59.795 58.088 1.707 17850 451 1 . 1 1 79 79 SER CB C 79 63.226 63.226 62.911 0.315 17850 452 1 . 1 1 79 79 SER H H 79 8.448 8.448 8.412 0.036 17850 453 1 . 1 1 80 80 ASN N N 80 119.581 119.581 120.461 -0.880 17850 454 1 . 1 1 80 80 ASN HA H 80 4.699 4.699 4.502 0.197 17850 455 1 . 1 1 80 80 ASN C C 80 175.726 175.726 177.045 -1.319 17850 456 1 . 1 1 80 80 ASN CA C 80 54.413 54.413 55.975 -1.562 17850 457 1 . 1 1 80 80 ASN CB C 80 38.588 38.588 38.190 0.398 17850 458 1 . 1 1 80 80 ASN H H 80 8.513 8.513 8.350 0.163 17850 459 1 . 1 1 81 81 ASP N N 81 120.378 120.378 120.568 -0.190 17850 460 1 . 1 1 81 81 ASP HA H 81 4.630 4.630 4.336 0.294 17850 461 1 . 1 1 81 81 ASP C C 81 177.281 177.281 178.085 -0.804 17850 462 1 . 1 1 81 81 ASP CA C 81 55.593 55.593 57.216 -1.623 17850 463 1 . 1 1 81 81 ASP CB C 81 41.606 41.606 40.399 1.207 17850 464 1 . 1 1 81 81 ASP H H 81 7.957 7.957 8.565 -0.608 17850 465 1 . 1 1 82 82 SER N N 82 117.046 117.046 116.056 0.990 17850 466 1 . 1 1 82 82 SER HA H 82 4.194 4.194 4.077 0.117 17850 467 1 . 1 1 82 82 SER C C 82 176.745 176.745 176.510 0.235 17850 468 1 . 1 1 82 82 SER CA C 82 61.376 61.376 61.281 0.095 17850 469 1 . 1 1 82 82 SER CB C 82 62.896 62.896 62.926 -0.030 17850 470 1 . 1 1 82 82 SER H H 82 8.469 8.469 8.490 -0.021 17850 471 1 . 1 1 83 83 GLU N N 83 122.405 122.405 119.191 3.214 17850 472 1 . 1 1 83 83 GLU HA H 83 4.100 4.100 4.089 0.011 17850 473 1 . 1 1 83 83 GLU C C 83 178.740 178.740 178.860 -0.120 17850 474 1 . 1 1 83 83 GLU CA C 83 59.465 59.465 59.627 -0.162 17850 475 1 . 1 1 83 83 GLU CB C 83 29.404 29.404 29.635 -0.231 17850 476 1 . 1 1 83 83 GLU H H 83 8.357 8.357 8.199 0.158 17850 477 1 . 1 1 84 84 GLN N N 84 118.604 118.604 119.380 -0.776 17850 478 1 . 1 1 84 84 GLN HA H 84 4.109 4.109 4.120 -0.011 17850 479 1 . 1 1 84 84 GLN C C 84 178.533 178.533 178.655 -0.122 17850 480 1 . 1 1 84 84 GLN CA C 84 58.467 58.467 58.514 -0.047 17850 481 1 . 1 1 84 84 GLN CB C 84 28.421 28.421 27.956 0.465 17850 482 1 . 1 1 84 84 GLN H H 84 7.988 7.988 8.099 -0.111 17850 483 1 . 1 1 85 85 GLU N N 85 119.418 119.418 119.767 -0.349 17850 484 1 . 1 1 85 85 GLU HA H 85 3.942 3.942 4.261 -0.319 17850 485 1 . 1 1 85 85 GLU C C 85 178.250 178.250 178.802 -0.552 17850 486 1 . 1 1 85 85 GLU CA C 85 60.124 60.124 59.399 0.725 17850 487 1 . 1 1 85 85 GLU CB C 85 29.572 29.572 29.480 0.092 17850 488 1 . 1 1 85 85 GLU H H 85 8.228 8.228 8.122 0.106 17850 489 1 . 1 1 86 86 LEU N N 86 120.010 120.010 117.952 2.058 17850 490 1 . 1 1 86 86 LEU HA H 86 4.159 4.159 4.152 0.007 17850 491 1 . 1 1 86 86 LEU C C 86 178.534 178.534 179.091 -0.557 17850 492 1 . 1 1 86 86 LEU CA C 86 58.207 58.207 58.567 -0.360 17850 493 1 . 1 1 86 86 LEU CB C 86 41.626 41.626 40.996 0.630 17850 494 1 . 1 1 86 86 LEU H H 86 7.797 7.797 8.200 -0.403 17850 495 1 . 1 1 87 87 LEU N N 87 119.111 119.111 120.395 -1.284 17850 496 1 . 1 1 87 87 LEU HA H 87 4.104 4.104 4.047 0.057 17850 497 1 . 1 1 87 87 LEU C C 87 179.333 179.333 179.319 0.014 17850 498 1 . 1 1 87 87 LEU CA C 87 58.243 58.243 58.136 0.107 17850 499 1 . 1 1 87 87 LEU CB C 87 41.766 41.766 41.762 0.004 17850 500 1 . 1 1 87 87 LEU H H 87 7.825 7.825 8.658 -0.833 17850 501 1 . 1 1 88 88 GLU N N 88 117.514 117.514 118.728 -1.214 17850 502 1 . 1 1 88 88 GLU HA H 88 4.101 4.101 4.495 -0.394 17850 503 1 . 1 1 88 88 GLU C C 88 179.461 179.461 178.530 0.930 17850 504 1 . 1 1 88 88 GLU CA C 88 59.016 59.016 58.858 0.158 17850 505 1 . 1 1 88 88 GLU CB C 88 28.670 28.670 29.419 -0.749 17850 506 1 . 1 1 88 88 GLU H H 88 8.265 8.265 8.346 -0.081 17850 507 1 . 1 1 89 89 ALA N N 89 120.734 120.734 124.256 -3.522 17850 508 1 . 1 1 89 89 ALA HA H 89 4.167 4.167 3.466 0.701 17850 509 1 . 1 1 89 89 ALA C C 89 178.362 178.362 178.292 0.070 17850 510 1 . 1 1 89 89 ALA CA C 89 55.077 55.077 54.245 0.832 17850 511 1 . 1 1 89 89 ALA CB C 89 17.983 17.983 19.274 -1.291 17850 512 1 . 1 1 89 89 ALA H H 89 8.192 8.192 8.441 -0.249 17850 513 1 . 1 1 90 90 PHE N N 90 119.339 119.339 118.348 0.991 17850 514 1 . 1 1 90 90 PHE HA H 90 3.199 3.199 4.017 -0.818 17850 515 1 . 1 1 90 90 PHE C C 90 177.497 177.497 177.314 0.183 17850 516 1 . 1 1 90 90 PHE CA C 90 62.185 62.185 60.854 1.331 17850 517 1 . 1 1 90 90 PHE CB C 90 39.820 39.820 38.394 1.426 17850 518 1 . 1 1 90 90 PHE H H 90 8.685 8.685 8.273 0.412 17850 519 1 . 1 1 91 91 LYS N N 91 116.189 116.189 119.365 -3.176 17850 520 1 . 1 1 91 91 LYS HA H 91 3.948 3.948 4.005 -0.057 17850 521 1 . 1 1 91 91 LYS C C 91 178.236 178.236 177.692 0.544 17850 522 1 . 1 1 91 91 LYS CA C 91 59.514 59.514 59.043 0.471 17850 523 1 . 1 1 91 91 LYS CB C 91 32.871 32.871 32.709 0.163 17850 524 1 . 1 1 91 91 LYS H H 91 8.112 8.112 7.758 0.354 17850 525 1 . 1 1 92 92 VAL N N 92 117.696 117.696 116.968 0.728 17850 526 1 . 1 1 92 92 VAL HA H 92 3.572 3.572 3.888 -0.316 17850 527 1 . 1 1 92 92 VAL C C 92 176.545 176.545 176.753 -0.208 17850 528 1 . 1 1 92 92 VAL CA C 92 65.572 65.572 65.045 0.527 17850 529 1 . 1 1 92 92 VAL CB C 92 31.426 31.426 32.312 -0.886 17850 530 1 . 1 1 92 92 VAL H H 92 7.383 7.383 7.576 -0.193 17850 531 1 . 1 1 93 93 PHE N N 93 114.826 114.826 117.789 -2.963 17850 532 1 . 1 1 93 93 PHE HA H 93 4.227 4.227 4.596 -0.369 17850 533 1 . 1 1 93 93 PHE C C 93 176.417 176.417 176.110 0.307 17850 534 1 . 1 1 93 93 PHE CA C 93 59.600 59.600 58.834 0.766 17850 535 1 . 1 1 93 93 PHE CB C 93 41.196 41.196 38.815 2.381 17850 536 1 . 1 1 93 93 PHE H H 93 7.116 7.116 7.802 -0.686 17850 537 1 . 1 1 94 94 ASP N N 94 116.753 116.753 124.925 -8.172 17850 538 1 . 1 1 94 94 ASP HA H 94 4.531 4.531 4.509 0.022 17850 539 1 . 1 1 94 94 ASP C C 94 177.305 177.305 177.118 0.187 17850 540 1 . 1 1 94 94 ASP CA C 94 52.471 52.471 55.215 -2.744 17850 541 1 . 1 1 94 94 ASP CB C 94 38.841 38.841 40.512 -1.671 17850 542 1 . 1 1 94 94 ASP H H 94 7.849 7.849 8.207 -0.358 17850 543 1 . 1 1 95 95 LYS N N 95 125.185 125.185 119.491 5.694 17850 544 1 . 1 1 95 95 LYS HA H 95 4.003 4.003 4.156 -0.153 17850 545 1 . 1 1 95 95 LYS C C 95 178.261 178.261 177.034 1.227 17850 546 1 . 1 1 95 95 LYS CA C 95 58.077 58.077 56.905 1.172 17850 547 1 . 1 1 95 95 LYS CB C 95 32.190 32.190 33.562 -1.372 17850 548 1 . 1 1 95 95 LYS H H 95 7.755 7.755 7.971 -0.216 17850 549 1 . 1 1 96 96 ASN N N 96 112.542 112.542 119.781 -7.239 17850 550 1 . 1 1 96 96 ASN HA H 96 4.785 4.785 4.372 0.413 17850 551 1 . 1 1 96 96 ASN C C 96 176.469 176.469 174.517 1.952 17850 552 1 . 1 1 96 96 ASN CA C 96 51.862 51.862 53.003 -1.141 17850 553 1 . 1 1 96 96 ASN H H 96 8.069 8.069 8.102 -0.033 17850 554 1 . 1 1 97 97 GLY N N 97 109.956 109.956 110.590 -0.634 17850 555 1 . 1 1 97 97 GLY C C 97 175.032 175.032 175.788 -0.756 17850 556 1 . 1 1 97 97 GLY CA C 97 47.708 47.708 44.322 3.386 17850 557 1 . 1 1 97 97 GLY H H 97 7.686 7.686 8.820 -1.134 17850 558 1 . 1 1 98 98 ASP N N 98 119.383 119.383 120.355 -0.972 17850 559 1 . 1 1 98 98 ASP HA H 98 4.553 4.553 4.330 0.223 17850 560 1 . 1 1 98 98 ASP C C 98 177.274 177.274 174.624 2.650 17850 561 1 . 1 1 98 98 ASP CA C 98 53.334 53.334 54.866 -1.532 17850 562 1 . 1 1 98 98 ASP H H 98 8.249 8.249 8.075 0.174 17850 563 1 . 1 1 99 99 GLY N N 99 112.398 112.398 105.571 6.827 17850 564 1 . 1 1 99 99 GLY C C 99 173.128 173.128 173.980 -0.852 17850 565 1 . 1 1 99 99 GLY CA C 99 45.729 45.729 43.793 1.936 17850 566 1 . 1 1 99 99 GLY H H 99 10.390 10.390 8.098 2.291 17850 567 1 . 1 1 100 100 LEU N N 100 120.803 120.803 125.594 -4.791 17850 568 1 . 1 1 100 100 LEU HA H 100 5.265 5.265 4.709 0.556 17850 569 1 . 1 1 100 100 LEU C C 100 176.427 176.427 177.460 -1.033 17850 570 1 . 1 1 100 100 LEU CA C 100 52.776 52.776 55.044 -2.268 17850 571 1 . 1 1 100 100 LEU CB C 100 46.201 46.201 41.490 4.711 17850 572 1 . 1 1 100 100 LEU H H 100 7.987 7.987 8.982 -0.995 17850 573 1 . 1 1 101 101 ILE N N 101 125.286 125.286 128.291 -3.005 17850 574 1 . 1 1 101 101 ILE HA H 101 4.722 4.722 4.372 0.350 17850 575 1 . 1 1 101 101 ILE C C 101 175.432 175.432 177.139 -1.707 17850 576 1 . 1 1 101 101 ILE CA C 101 60.249 60.249 60.950 -0.701 17850 577 1 . 1 1 101 101 ILE CB C 101 39.064 39.064 39.347 -0.283 17850 578 1 . 1 1 101 101 ILE H H 101 9.698 9.698 8.450 1.248 17850 579 1 . 1 1 102 102 SER N N 102 123.133 123.133 117.192 5.941 17850 580 1 . 1 1 102 102 SER HA H 102 4.969 4.969 4.115 0.854 17850 581 1 . 1 1 102 102 SER C C 102 175.298 175.298 176.195 -0.897 17850 582 1 . 1 1 102 102 SER CA C 102 55.994 55.994 61.837 -5.843 17850 583 1 . 1 1 102 102 SER CB C 102 66.456 66.456 62.343 4.113 17850 584 1 . 1 1 102 102 SER H H 102 9.095 9.095 8.855 0.240 17850 585 1 . 1 1 103 103 ALA N N 103 122.886 122.886 121.924 0.962 17850 586 1 . 1 1 103 103 ALA HA H 103 3.889 3.889 3.836 0.053 17850 587 1 . 1 1 103 103 ALA C C 103 179.237 179.237 179.804 -0.567 17850 588 1 . 1 1 103 103 ALA CA C 103 56.082 56.082 55.280 0.802 17850 589 1 . 1 1 103 103 ALA CB C 103 18.057 18.057 17.863 0.194 17850 590 1 . 1 1 103 103 ALA H H 103 8.691 8.691 8.539 0.152 17850 591 1 . 1 1 104 104 ALA N N 104 118.317 118.317 119.990 -1.673 17850 592 1 . 1 1 104 104 ALA HA H 104 4.074 4.074 3.654 0.420 17850 593 1 . 1 1 104 104 ALA C C 104 181.451 181.451 179.134 2.317 17850 594 1 . 1 1 104 104 ALA CA C 104 55.285 55.285 54.620 0.665 17850 595 1 . 1 1 104 104 ALA CB C 104 18.435 18.435 18.501 -0.066 17850 596 1 . 1 1 104 104 ALA H H 104 8.392 8.392 8.112 0.280 17850 597 1 . 1 1 105 105 GLU N N 105 120.398 120.398 118.043 2.355 17850 598 1 . 1 1 105 105 GLU HA H 105 4.060 4.060 4.694 -0.634 17850 599 1 . 1 1 105 105 GLU C C 105 179.223 179.223 177.555 1.668 17850 600 1 . 1 1 105 105 GLU CA C 105 59.463 59.463 59.428 0.035 17850 601 1 . 1 1 105 105 GLU CB C 105 29.151 29.151 30.050 -0.899 17850 602 1 . 1 1 105 105 GLU H H 105 7.879 7.879 8.284 -0.405 17850 603 1 . 1 1 106 106 LEU N N 106 120.023 120.023 120.184 -0.161 17850 604 1 . 1 1 106 106 LEU HA H 106 4.163 4.163 3.899 0.264 17850 605 1 . 1 1 106 106 LEU C C 106 178.503 178.503 178.852 -0.349 17850 606 1 . 1 1 106 106 LEU CA C 106 58.689 58.689 58.497 0.192 17850 607 1 . 1 1 106 106 LEU CB C 106 42.287 42.287 40.955 1.332 17850 608 1 . 1 1 106 106 LEU H H 106 8.479 8.479 8.729 -0.250 17850 609 1 . 1 1 107 107 LYS N N 107 117.064 117.064 120.196 -3.132 17850 610 1 . 1 1 107 107 LYS HA H 107 3.818 3.818 3.941 -0.122 17850 611 1 . 1 1 107 107 LYS C C 107 179.039 179.039 178.676 0.363 17850 612 1 . 1 1 107 107 LYS CA C 107 60.308 60.308 59.218 1.090 17850 613 1 . 1 1 107 107 LYS CB C 107 32.890 32.890 32.100 0.790 17850 614 1 . 1 1 107 107 LYS H H 107 8.758 8.758 8.492 0.266 17850 615 1 . 1 1 108 108 HIS N N 108 119.125 119.125 118.339 0.786 17850 616 1 . 1 1 108 108 HIS HA H 108 4.316 4.316 3.603 0.713 17850 617 1 . 1 1 108 108 HIS C C 108 178.394 178.394 177.079 1.315 17850 618 1 . 1 1 108 108 HIS CA C 108 60.187 60.187 59.259 0.928 17850 619 1 . 1 1 108 108 HIS CB C 108 30.492 30.492 29.064 1.428 17850 620 1 . 1 1 108 108 HIS H H 108 8.287 8.287 7.728 0.559 17850 621 1 . 1 1 109 109 VAL N N 109 119.525 119.525 118.892 0.633 17850 622 1 . 1 1 109 109 VAL HA H 109 3.485 3.485 3.763 -0.278 17850 623 1 . 1 1 109 109 VAL C C 109 178.246 178.246 178.075 0.171 17850 624 1 . 1 1 109 109 VAL CA C 109 66.710 66.710 65.300 1.410 17850 625 1 . 1 1 109 109 VAL CB C 109 31.572 31.572 30.708 0.864 17850 626 1 . 1 1 109 109 VAL H H 109 7.915 7.915 8.478 -0.563 17850 627 1 . 1 1 110 110 LEU N N 110 117.403 117.403 119.243 -1.840 17850 628 1 . 1 1 110 110 LEU HA H 110 3.979 3.979 4.303 -0.324 17850 629 1 . 1 1 110 110 LEU C C 110 178.968 178.968 178.014 0.954 17850 630 1 . 1 1 110 110 LEU CA C 110 58.218 58.218 57.829 0.389 17850 631 1 . 1 1 110 110 LEU CB C 110 40.528 40.528 41.767 -1.239 17850 632 1 . 1 1 110 110 LEU H H 110 8.269 8.269 8.266 0.003 17850 633 1 . 1 1 111 111 THR N N 111 114.122 114.122 114.847 -0.725 17850 634 1 . 1 1 111 111 THR HA H 111 4.184 4.184 4.076 0.108 17850 635 1 . 1 1 111 111 THR C C 111 178.534 178.534 175.010 3.524 17850 636 1 . 1 1 111 111 THR CA C 111 66.252 66.252 63.760 2.492 17850 637 1 . 1 1 111 111 THR CB C 111 68.851 68.851 68.512 0.339 17850 638 1 . 1 1 111 111 THR H H 111 8.441 8.441 7.768 0.673 17850 639 1 . 1 1 112 112 SER N N 112 119.981 119.981 106.347 13.634 17850 640 1 . 1 1 112 112 SER HA H 112 4.215 4.215 4.670 -0.455 17850 641 1 . 1 1 112 112 SER C C 112 175.523 175.523 174.610 0.913 17850 642 1 . 1 1 112 112 SER CA C 112 62.197 62.197 58.309 3.888 17850 643 1 . 1 1 112 112 SER CB C 112 62.936 62.936 65.097 -2.161 17850 644 1 . 1 1 112 112 SER H H 112 7.910 7.910 7.125 0.785 17850 645 1 . 1 1 113 113 ILE N N 113 112.726 112.726 119.199 -6.473 17850 646 1 . 1 1 113 113 ILE HA H 113 4.484 4.484 3.884 0.600 17850 647 1 . 1 1 113 113 ILE C C 113 175.636 175.636 175.229 0.407 17850 648 1 . 1 1 113 113 ILE CA C 113 60.755 60.755 61.238 -0.482 17850 649 1 . 1 1 113 113 ILE H H 113 7.473 7.473 7.443 0.030 17850 650 1 . 1 1 114 114 GLY N N 114 108.354 108.354 111.497 -3.143 17850 651 1 . 1 1 114 114 GLY C C 114 174.583 174.583 173.988 0.595 17850 652 1 . 1 1 114 114 GLY CA C 114 45.850 45.850 45.569 0.281 17850 653 1 . 1 1 114 114 GLY H H 114 7.652 7.652 8.078 -0.426 17850 654 1 . 1 1 115 115 GLU N N 115 120.283 120.283 122.473 -2.190 17850 655 1 . 1 1 115 115 GLU HA H 115 4.305 4.305 4.674 -0.369 17850 656 1 . 1 1 115 115 GLU C C 115 175.444 175.444 175.490 -0.046 17850 657 1 . 1 1 115 115 GLU CA C 115 55.132 55.132 55.305 -0.173 17850 658 1 . 1 1 115 115 GLU CB C 115 30.250 30.250 30.498 -0.248 17850 659 1 . 1 1 115 115 GLU H H 115 8.045 8.045 8.329 -0.284 17850 660 1 . 1 1 116 116 LYS N N 116 124.370 124.370 125.214 -0.844 17850 661 1 . 1 1 116 116 LYS HA H 116 4.422 4.422 4.620 -0.199 17850 662 1 . 1 1 116 116 LYS C C 116 175.287 175.287 176.589 -1.302 17850 663 1 . 1 1 116 116 LYS CA C 116 55.635 55.635 55.217 0.417 17850 664 1 . 1 1 116 116 LYS CB C 116 32.142 32.142 34.854 -2.712 17850 665 1 . 1 1 116 116 LYS H H 116 8.571 8.571 8.400 0.171 17850 666 1 . 1 1 117 117 LEU N N 117 125.492 125.492 120.481 5.011 17850 667 1 . 1 1 117 117 LEU HA H 117 4.784 4.784 4.291 0.493 17850 668 1 . 1 1 117 117 LEU C C 117 177.161 177.161 177.511 -0.350 17850 669 1 . 1 1 117 117 LEU CA C 117 54.233 54.233 53.797 0.436 17850 670 1 . 1 1 117 117 LEU CB C 117 44.998 44.998 43.603 1.395 17850 671 1 . 1 1 117 117 LEU H H 117 8.042 8.042 8.274 -0.232 17850 672 1 . 1 1 118 118 THR N N 118 113.255 113.255 116.969 -3.714 17850 673 1 . 1 1 118 118 THR HA H 118 4.497 4.497 4.015 0.482 17850 674 1 . 1 1 118 118 THR C C 118 175.335 175.335 176.309 -0.973 17850 675 1 . 1 1 118 118 THR CA C 118 60.434 60.434 66.050 -5.616 17850 676 1 . 1 1 118 118 THR CB C 118 71.193 71.193 68.637 2.556 17850 677 1 . 1 1 118 118 THR H H 118 8.995 8.995 8.716 0.279 17850 678 1 . 1 1 119 119 ASP N N 119 120.837 120.837 118.301 2.536 17850 679 1 . 1 1 119 119 ASP HA H 119 4.232 4.232 4.574 -0.342 17850 680 1 . 1 1 119 119 ASP C C 119 178.422 178.422 178.015 0.407 17850 681 1 . 1 1 119 119 ASP CA C 119 58.097 58.097 56.289 1.808 17850 682 1 . 1 1 119 119 ASP CB C 119 39.975 39.975 40.379 -0.404 17850 683 1 . 1 1 119 119 ASP H H 119 8.743 8.743 8.236 0.507 17850 684 1 . 1 1 120 120 ALA N N 120 121.309 121.309 121.740 -0.431 17850 685 1 . 1 1 120 120 ALA HA H 120 4.166 4.166 4.112 0.054 17850 686 1 . 1 1 120 120 ALA C C 120 179.796 179.796 179.994 -0.198 17850 687 1 . 1 1 120 120 ALA CA C 120 55.028 55.028 54.430 0.598 17850 688 1 . 1 1 120 120 ALA CB C 120 18.320 18.320 19.048 -0.729 17850 689 1 . 1 1 120 120 ALA H H 120 8.304 8.304 7.607 0.697 17850 690 1 . 1 1 121 121 GLU N N 121 118.068 118.068 120.869 -2.801 17850 691 1 . 1 1 121 121 GLU HA H 121 4.057 4.057 3.981 0.076 17850 692 1 . 1 1 121 121 GLU C C 121 180.035 180.035 177.299 2.736 17850 693 1 . 1 1 121 121 GLU CA C 121 59.238 59.238 60.446 -1.208 17850 694 1 . 1 1 121 121 GLU CB C 121 30.429 30.429 29.875 0.554 17850 695 1 . 1 1 121 121 GLU H H 121 7.705 7.705 8.702 -0.997 17850 696 1 . 1 1 122 122 VAL N N 122 120.636 120.636 117.670 2.966 17850 697 1 . 1 1 122 122 VAL HA H 122 3.537 3.537 3.806 -0.269 17850 698 1 . 1 1 122 122 VAL C C 122 177.120 177.120 177.409 -0.289 17850 699 1 . 1 1 122 122 VAL CA C 122 67.042 67.042 65.746 1.296 17850 700 1 . 1 1 122 122 VAL CB C 122 31.392 31.392 31.729 -0.337 17850 701 1 . 1 1 122 122 VAL H H 122 7.935 7.935 7.893 0.042 17850 702 1 . 1 1 123 123 ASP N N 123 120.336 120.336 118.412 1.923 17850 703 1 . 1 1 123 123 ASP HA H 123 4.303 4.303 4.524 -0.221 17850 704 1 . 1 1 123 123 ASP C C 123 179.023 179.023 177.935 1.088 17850 705 1 . 1 1 123 123 ASP CA C 123 57.943 57.943 56.205 1.738 17850 706 1 . 1 1 123 123 ASP CB C 123 40.671 40.671 41.242 -0.571 17850 707 1 . 1 1 123 123 ASP H H 123 8.204 8.204 7.729 0.475 17850 708 1 . 1 1 124 124 ASP N N 124 118.890 118.890 120.814 -1.924 17850 709 1 . 1 1 124 124 ASP HA H 124 4.340 4.340 4.402 -0.062 17850 710 1 . 1 1 124 124 ASP C C 124 178.527 178.527 178.139 0.388 17850 711 1 . 1 1 124 124 ASP CA C 124 57.523 57.523 57.031 0.492 17850 712 1 . 1 1 124 124 ASP CB C 124 40.820 40.820 40.862 -0.042 17850 713 1 . 1 1 124 124 ASP H H 124 8.272 8.272 7.781 0.491 17850 714 1 . 1 1 125 125 MET N N 125 119.365 119.365 117.184 2.181 17850 715 1 . 1 1 125 125 MET HA H 125 4.091 4.091 4.125 -0.034 17850 716 1 . 1 1 125 125 MET C C 125 178.021 178.021 178.205 -0.184 17850 717 1 . 1 1 125 125 MET CA C 125 59.205 59.205 58.116 1.088 17850 718 1 . 1 1 125 125 MET CB C 125 33.281 33.281 31.770 1.511 17850 719 1 . 1 1 125 125 MET H H 125 7.750 7.750 8.530 -0.780 17850 720 1 . 1 1 126 126 LEU N N 126 117.193 117.193 118.440 -1.247 17850 721 1 . 1 1 126 126 LEU HA H 126 3.924 3.924 3.990 -0.066 17850 722 1 . 1 1 126 126 LEU C C 126 180.267 180.267 179.547 0.720 17850 723 1 . 1 1 126 126 LEU CA C 126 57.802 57.802 57.683 0.118 17850 724 1 . 1 1 126 126 LEU CB C 126 41.614 41.614 41.378 0.236 17850 725 1 . 1 1 126 126 LEU H H 126 8.152 8.152 7.679 0.473 17850 726 1 . 1 1 127 127 ARG N N 127 120.792 120.792 117.939 2.853 17850 727 1 . 1 1 127 127 ARG HA H 127 4.041 4.041 4.066 -0.025 17850 728 1 . 1 1 127 127 ARG C C 127 178.027 178.027 177.768 0.259 17850 729 1 . 1 1 127 127 ARG CA C 127 59.281 59.281 58.660 0.621 17850 730 1 . 1 1 127 127 ARG CB C 127 29.999 29.999 30.427 -0.428 17850 731 1 . 1 1 127 127 ARG H H 127 8.335 8.335 7.584 0.751 17850 732 1 . 1 1 128 128 GLU N N 128 117.142 117.142 110.832 6.310 17850 733 1 . 1 1 128 128 GLU HA H 128 4.106 4.106 4.647 -0.541 17850 734 1 . 1 1 128 128 GLU C C 128 178.618 178.618 175.944 2.674 17850 735 1 . 1 1 128 128 GLU CA C 128 59.205 59.205 55.776 3.429 17850 736 1 . 1 1 128 128 GLU CB C 128 30.394 30.394 30.611 -0.218 17850 737 1 . 1 1 128 128 GLU H H 128 7.667 7.667 8.252 -0.585 17850 738 1 . 1 1 129 129 VAL N N 129 108.345 108.345 118.702 -10.357 17850 739 1 . 1 1 129 129 VAL HA H 129 4.487 4.487 4.173 0.314 17850 740 1 . 1 1 129 129 VAL C C 129 175.591 175.591 176.593 -1.002 17850 741 1 . 1 1 129 129 VAL CA C 129 61.663 61.663 62.382 -0.719 17850 742 1 . 1 1 129 129 VAL CB C 129 33.009 33.009 33.152 -0.143 17850 743 1 . 1 1 129 129 VAL H H 129 7.470 7.470 7.922 -0.452 17850 744 1 . 1 1 130 130 SER N N 130 115.012 115.012 117.957 -2.945 17850 745 1 . 1 1 130 130 SER HA H 130 4.670 4.670 4.126 0.544 17850 746 1 . 1 1 130 130 SER C C 130 174.414 174.414 174.341 0.073 17850 747 1 . 1 1 130 130 SER CA C 130 58.067 58.067 59.592 -1.525 17850 748 1 . 1 1 130 130 SER CB C 130 65.814 65.814 61.883 3.931 17850 749 1 . 1 1 130 130 SER H H 130 7.858 7.858 7.819 0.040 17850 750 1 . 1 1 131 131 ASP N N 131 120.972 120.972 116.070 4.902 17850 751 1 . 1 1 131 131 ASP HA H 131 4.566 4.566 4.245 0.321 17850 752 1 . 1 1 131 131 ASP C C 131 176.676 176.676 175.616 1.060 17850 753 1 . 1 1 131 131 ASP CA C 131 54.783 54.783 54.757 0.026 17850 754 1 . 1 1 131 131 ASP H H 131 8.478 8.478 8.161 0.317 17850 755 1 . 1 1 132 132 GLY N N 132 105.512 105.512 108.873 -3.361 17850 756 1 . 1 1 132 132 GLY C C 132 174.924 174.924 175.616 -0.692 17850 757 1 . 1 1 132 132 GLY CA C 132 45.670 45.670 46.424 -0.754 17850 758 1 . 1 1 132 132 GLY H H 132 8.352 8.352 7.979 0.373 17850 759 1 . 1 1 133 133 SER N N 133 116.718 116.718 113.831 2.887 17850 760 1 . 1 1 133 133 SER HA H 133 4.435 4.435 4.411 0.024 17850 761 1 . 1 1 133 133 SER C C 133 175.404 175.404 172.637 2.767 17850 762 1 . 1 1 133 133 SER CA C 133 59.340 59.340 58.118 1.222 17850 763 1 . 1 1 133 133 SER H H 133 8.104 8.104 8.493 -0.389 17850 764 1 . 1 1 134 134 GLY N N 134 109.601 109.601 107.527 2.074 17850 765 1 . 1 1 134 134 GLY C C 134 172.547 172.547 172.721 -0.174 17850 766 1 . 1 1 134 134 GLY CA C 134 45.823 45.823 43.193 2.630 17850 767 1 . 1 1 134 134 GLY H H 134 8.555 8.555 7.584 0.971 17850 768 1 . 1 1 135 135 GLU N N 135 117.166 117.166 115.524 1.642 17850 769 1 . 1 1 135 135 GLU HA H 135 5.027 5.027 4.879 0.148 17850 770 1 . 1 1 135 135 GLU C C 135 175.280 175.280 174.746 0.534 17850 771 1 . 1 1 135 135 GLU CA C 135 54.735 54.735 54.792 -0.057 17850 772 1 . 1 1 135 135 GLU CB C 135 32.874 32.874 32.109 0.765 17850 773 1 . 1 1 135 135 GLU H H 135 7.641 7.641 8.232 -0.591 17850 774 1 . 1 1 136 136 ILE N N 136 114.256 114.256 126.064 -11.808 17850 775 1 . 1 1 136 136 ILE HA H 136 5.076 5.076 4.892 0.184 17850 776 1 . 1 1 136 136 ILE C C 136 175.228 175.228 177.203 -1.975 17850 777 1 . 1 1 136 136 ILE CA C 136 59.398 59.398 59.697 -0.299 17850 778 1 . 1 1 136 136 ILE CB C 136 41.652 41.652 39.251 2.401 17850 779 1 . 1 1 136 136 ILE H H 136 8.565 8.565 8.374 0.191 17850 780 1 . 1 1 137 137 ASN N N 137 121.842 121.842 118.414 3.428 17850 781 1 . 1 1 137 137 ASN HA H 137 5.265 5.265 3.717 1.548 17850 782 1 . 1 1 137 137 ASN C C 137 176.835 176.835 176.298 0.537 17850 783 1 . 1 1 137 137 ASN CA C 137 51.027 51.027 54.704 -3.677 17850 784 1 . 1 1 137 137 ASN CB C 137 39.713 39.713 37.722 1.991 17850 785 1 . 1 1 137 137 ASN H H 137 8.767 8.767 8.549 0.218 17850 786 1 . 1 1 138 138 ILE N N 138 118.075 118.075 118.298 -0.223 17850 787 1 . 1 1 138 138 ILE HA H 138 3.752 3.752 3.891 -0.139 17850 788 1 . 1 1 138 138 ILE CA C 138 64.772 64.772 64.272 0.500 17850 789 1 . 1 1 138 138 ILE CB C 138 37.553 37.553 36.924 0.629 17850 790 1 . 1 1 138 138 ILE H H 138 8.418 8.418 8.402 0.017 17850 791 1 . 1 1 139 139 GLN N N 139 122.926 122.926 119.813 3.113 17850 792 1 . 1 1 139 139 GLN HA H 139 4.126 4.126 4.048 0.078 17850 793 1 . 1 1 139 139 GLN C C 139 179.886 179.886 178.781 1.105 17850 794 1 . 1 1 139 139 GLN CA C 139 59.586 59.586 58.773 0.813 17850 795 1 . 1 1 139 139 GLN CB C 139 27.785 27.785 28.477 -0.692 17850 796 1 . 1 1 139 139 GLN H H 139 7.632 7.632 7.970 -0.338 17850 797 1 . 1 1 140 140 GLN N N 140 121.813 121.813 120.489 1.324 17850 798 1 . 1 1 140 140 GLN HA H 140 4.161 4.161 3.811 0.350 17850 799 1 . 1 1 140 140 GLN C C 140 178.284 178.284 177.303 0.981 17850 800 1 . 1 1 140 140 GLN CA C 140 58.216 58.216 58.742 -0.526 17850 801 1 . 1 1 140 140 GLN CB C 140 28.438 28.438 28.440 -0.002 17850 802 1 . 1 1 140 140 GLN H H 140 8.416 8.416 8.858 -0.442 17850 803 1 . 1 1 141 141 PHE N N 141 121.732 121.732 117.869 3.863 17850 804 1 . 1 1 141 141 PHE HA H 141 4.152 4.152 3.744 0.408 17850 805 1 . 1 1 141 141 PHE C C 141 176.273 176.273 176.587 -0.314 17850 806 1 . 1 1 141 141 PHE CA C 141 60.960 60.960 60.267 0.693 17850 807 1 . 1 1 141 141 PHE CB C 141 40.061 40.061 37.998 2.063 17850 808 1 . 1 1 141 141 PHE H H 141 9.030 9.030 7.968 1.062 17850 809 1 . 1 1 142 142 ALA N N 142 119.852 119.852 120.913 -1.061 17850 810 1 . 1 1 142 142 ALA HA H 142 3.803 3.803 3.977 -0.174 17850 811 1 . 1 1 142 142 ALA C C 142 180.733 180.733 179.511 1.222 17850 812 1 . 1 1 142 142 ALA CA C 142 55.210 55.210 54.461 0.749 17850 813 1 . 1 1 142 142 ALA CB C 142 17.902 17.902 18.191 -0.288 17850 814 1 . 1 1 142 142 ALA H H 142 8.399 8.399 7.940 0.459 17850 815 1 . 1 1 143 143 ALA N N 143 120.555 120.555 119.706 0.849 17850 816 1 . 1 1 143 143 ALA HA H 143 4.114 4.114 3.952 0.162 17850 817 1 . 1 1 143 143 ALA C C 143 180.455 180.455 179.480 0.975 17850 818 1 . 1 1 143 143 ALA CA C 143 55.013 55.013 54.943 0.070 17850 819 1 . 1 1 143 143 ALA CB C 143 17.849 17.849 19.067 -1.219 17850 820 1 . 1 1 143 143 ALA H H 143 7.627 7.627 7.376 0.251 17850 821 1 . 1 1 144 144 LEU N N 144 121.054 121.054 114.248 6.806 17850 822 1 . 1 1 144 144 LEU HA H 144 3.933 3.933 4.032 -0.099 17850 823 1 . 1 1 144 144 LEU C C 144 177.756 177.756 177.218 0.538 17850 824 1 . 1 1 144 144 LEU CA C 144 57.696 57.696 56.010 1.686 17850 825 1 . 1 1 144 144 LEU CB C 144 41.838 41.838 41.345 0.493 17850 826 1 . 1 1 144 144 LEU H H 144 8.029 8.029 7.226 0.803 17850 827 1 . 1 1 145 145 LEU N N 145 115.288 115.288 117.872 -2.584 17850 828 1 . 1 1 145 145 LEU HA H 145 3.973 3.973 4.406 -0.433 17850 829 1 . 1 1 145 145 LEU C C 145 177.284 177.284 175.942 1.342 17850 830 1 . 1 1 145 145 LEU CA C 145 55.284 55.284 54.681 0.603 17850 831 1 . 1 1 145 145 LEU CB C 145 41.610 41.610 42.361 -0.751 17850 832 1 . 1 1 145 145 LEU H H 145 7.309 7.309 7.617 -0.308 17850 833 1 . 1 1 146 146 SER N N 146 114.503 114.503 117.204 -2.701 17850 834 1 . 1 1 146 146 SER HA H 146 4.346 4.346 4.545 -0.199 17850 835 1 . 1 1 146 146 SER C C 146 175.125 175.125 173.452 1.673 17850 836 1 . 1 1 146 146 SER CA C 146 59.046 59.046 58.017 1.029 17850 837 1 . 1 1 146 146 SER CB C 146 64.181 64.181 64.370 -0.189 17850 838 1 . 1 1 146 146 SER H H 146 7.506 7.506 7.728 -0.222 17850 839 1 . 1 1 147 147 LYS N N 147 123.315 123.315 121.592 1.723 17850 840 1 . 1 1 147 147 LYS HA H 147 4.167 4.167 4.363 -0.196 17850 841 1 . 1 1 147 147 LYS CA C 147 57.682 57.682 56.197 1.485 17850 842 1 . 1 1 147 147 LYS H H 147 8.329 8.329 8.269 0.060 17850 843 1 . 1 1 148 148 GLY N N 148 108.566 108.566 109.672 -1.106 17850 844 1 . 1 1 148 148 GLY C C 148 174.394 174.394 174.927 -0.533 17850 845 1 . 1 1 148 148 GLY CA C 148 45.528 45.528 45.786 -0.258 17850 846 1 . 1 1 148 148 GLY H H 148 8.353 8.353 8.148 0.205 17850 847 1 . 1 1 149 149 SER N N 149 115.356 115.356 117.612 -2.256 17850 848 1 . 1 1 149 149 SER HA H 149 4.484 4.484 4.506 -0.022 17850 849 1 . 1 1 149 149 SER C C 149 175.038 175.038 173.872 1.166 17850 850 1 . 1 1 149 149 SER CA C 149 58.418 58.418 58.408 0.010 17850 851 1 . 1 1 149 149 SER CB C 149 64.171 64.171 63.210 0.961 17850 852 1 . 1 1 149 149 SER H H 149 7.993 7.993 8.445 -0.452 17850 853 1 . 1 1 150 150 SER N N 150 118.028 118.028 114.514 3.514 17850 854 1 . 1 1 150 150 SER HA H 150 4.490 4.490 4.609 -0.119 17850 855 1 . 1 1 150 150 SER C C 150 175.034 175.034 174.041 0.993 17850 856 1 . 1 1 150 150 SER CA C 150 59.029 59.029 57.196 1.833 17850 857 1 . 1 1 150 150 SER CB C 150 63.407 63.407 64.870 -1.463 17850 858 1 . 1 1 150 150 SER H H 150 8.530 8.530 7.808 0.722 17850 stop_ save_