data_25868 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25868 _Entry.PDB_ID 2N8W 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 25868 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.185 0.389 25868 2 1 1 . 1 1 2 2 ASP C C 2 176.630 176.630 176.397 0.233 25868 3 1 1 . 1 1 2 2 ASP CA C 2 55.042 55.042 56.977 -1.935 25868 4 1 1 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.404 0.497 25868 5 1 1 . 1 1 3 3 GLU N N 3 121.683 121.683 116.395 5.288 25868 6 1 1 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.751 0.429 25868 7 1 1 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.023 -1.127 25868 8 1 1 . 1 1 3 3 GLU CB C 3 29.407 29.407 27.728 1.679 25868 9 1 1 . 1 1 3 3 GLU H H 3 8.889 8.889 8.374 0.515 25868 10 1 1 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.355 0.090 25868 11 1 1 . 1 1 4 4 ASN C C 4 176.095 176.095 177.686 -1.591 25868 12 1 1 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.471 -0.826 25868 13 1 1 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.725 -0.919 25868 14 1 1 . 1 1 5 5 ILE N N 5 119.355 119.355 121.319 -1.964 25868 15 1 1 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.851 0.026 25868 16 1 1 . 1 1 5 5 ILE CA C 5 64.081 64.081 66.058 -1.977 25868 17 1 1 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.728 -0.037 25868 18 1 1 . 1 1 5 5 ILE H H 5 8.018 8.018 7.922 0.096 25868 19 1 1 . 1 1 6 6 ALA N N 6 123.430 123.430 121.480 1.950 25868 20 1 1 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.403 -0.154 25868 21 1 1 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.816 -0.645 25868 22 1 1 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.099 0.145 25868 23 1 1 . 1 1 6 6 ALA H H 6 8.041 8.041 8.154 -0.113 25868 24 1 1 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.978 0.052 25868 25 1 1 . 1 1 7 7 LYS C C 7 178.778 178.778 178.985 -0.207 25868 26 1 1 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.061 -0.307 25868 27 1 1 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.223 -0.210 25868 28 1 1 . 1 1 8 8 PHE N N 8 120.439 120.439 117.847 2.592 25868 29 1 1 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.339 0.335 25868 30 1 1 . 1 1 8 8 PHE C C 8 177.470 177.470 178.258 -0.788 25868 31 1 1 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.980 -0.825 25868 32 1 1 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.268 1.008 25868 33 1 1 . 1 1 8 8 PHE H H 8 7.908 7.908 7.754 0.154 25868 34 1 1 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.076 0.053 25868 35 1 1 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.977 0.135 25868 36 1 1 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.198 0.596 25868 37 1 1 . 1 1 11 11 ALA N N 11 122.712 122.712 122.717 -0.005 25868 38 1 1 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.337 -0.131 25868 39 1 1 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.329 0.841 25868 40 1 1 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.720 -1.459 25868 41 1 1 . 1 1 11 11 ALA H H 11 7.945 7.945 7.673 0.272 25868 42 1 1 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.410 -0.289 25868 43 1 1 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.468 1.698 25868 44 1 1 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.972 0.028 25868 45 1 1 . 1 1 13 13 LYS N N 13 120.452 120.452 126.310 -5.858 25868 46 1 1 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.491 -0.451 25868 47 1 1 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.995 2.818 25868 48 1 1 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.485 -1.158 25868 49 1 1 . 1 1 13 13 LYS H H 13 8.017 8.017 7.665 0.352 25868 50 1 1 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.262 -0.108 25868 51 1 1 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.845 0.830 25868 52 1 1 . 1 1 14 14 LYS CB C 14 32.196 32.196 30.917 1.279 25868 53 1 1 . 1 1 14 14 LYS H H 14 8.011 8.011 8.663 -0.652 25868 54 1 1 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.293 -0.021 25868 55 1 1 . 1 1 15 15 ALA C C 15 179.056 179.056 178.333 0.723 25868 56 1 1 . 1 1 15 15 ALA CA C 15 53.971 53.971 54.154 -0.183 25868 57 1 1 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.511 -0.827 25868 58 1 1 . 1 1 16 16 GLU N N 16 120.136 120.136 116.716 3.420 25868 59 1 1 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.204 0.011 25868 60 1 1 . 1 1 16 16 GLU C C 16 179.176 179.176 175.849 3.327 25868 61 1 1 . 1 1 16 16 GLU CA C 16 58.499 58.499 56.883 1.616 25868 62 1 1 . 1 1 16 16 GLU CB C 16 29.915 29.915 28.052 1.863 25868 63 1 1 . 1 1 16 16 GLU H H 16 8.599 8.599 8.780 -0.181 25868 64 1 1 . 1 1 17 17 GLU N N 17 120.683 120.683 117.463 3.220 25868 65 1 1 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.462 -0.388 25868 66 1 1 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.085 2.019 25868 67 1 1 . 1 1 17 17 GLU CB C 17 29.718 29.718 30.415 -0.697 25868 68 1 1 . 1 1 17 17 GLU H H 17 8.009 8.009 8.215 -0.206 25868 69 1 1 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.643 -0.313 25868 70 1 1 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.375 0.123 25868 71 1 1 . 1 1 18 18 LEU CB C 18 41.969 41.969 44.884 -2.915 25868 72 1 1 . 1 1 18 18 LEU H H 18 7.614 7.614 7.500 0.114 25868 73 1 1 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.719 -0.310 25868 74 1 1 . 1 1 19 19 ASN C C 19 174.609 174.609 174.249 0.360 25868 75 1 1 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.061 0.615 25868 76 1 1 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.056 -0.231 25868 77 1 1 . 1 1 20 20 GLN N N 20 118.736 118.736 118.357 0.379 25868 78 1 1 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.597 -0.137 25868 79 1 1 . 1 1 20 20 GLN C C 20 176.659 176.659 174.799 1.860 25868 80 1 1 . 1 1 20 20 GLN CA C 20 54.688 54.688 54.909 -0.221 25868 81 1 1 . 1 1 20 20 GLN CB C 20 28.164 28.164 30.341 -2.177 25868 82 1 1 . 1 1 20 20 GLN H H 20 8.340 8.340 7.162 1.178 25868 83 1 1 . 1 1 21 21 GLY N N 21 111.864 111.864 111.473 0.391 25868 84 1 1 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.463 0.590 25868 85 1 1 . 1 1 21 21 GLY H H 21 8.455 8.455 8.560 -0.105 25868 86 1 1 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.181 0.082 25868 87 1 1 . 1 1 23 23 LEU C C 23 179.620 179.620 177.390 2.230 25868 88 1 1 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.865 0.529 25868 89 1 1 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.988 -0.437 25868 90 1 1 . 1 1 24 24 MET N N 24 120.657 120.657 115.899 4.758 25868 91 1 1 . 1 1 24 24 MET HA H 24 4.077 4.077 4.357 -0.280 25868 92 1 1 . 1 1 24 24 MET CB C 24 34.035 34.035 33.898 0.138 25868 93 1 1 . 1 1 24 24 MET H H 24 8.219 8.219 7.459 0.760 25868 94 1 1 . 1 1 25 25 GLY N N 25 106.956 106.956 108.460 -1.504 25868 95 1 1 . 1 1 25 25 GLY C C 25 175.016 175.016 175.499 -0.483 25868 96 1 1 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.471 1.300 25868 97 1 1 . 1 1 25 25 GLY H H 25 8.589 8.589 8.528 0.061 25868 98 1 1 . 1 1 26 26 ARG N N 26 119.970 119.970 122.990 -3.020 25868 99 1 1 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.378 -0.162 25868 100 1 1 . 1 1 26 26 ARG C C 26 177.966 177.966 177.781 0.185 25868 101 1 1 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.069 0.658 25868 102 1 1 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.235 0.028 25868 103 1 1 . 1 1 26 26 ARG H H 26 8.297 8.297 7.824 0.473 25868 104 1 1 . 1 1 27 27 ALA N N 27 121.499 121.499 122.165 -0.666 25868 105 1 1 . 1 1 27 27 ALA HA H 27 4.264 4.264 3.864 0.400 25868 106 1 1 . 1 1 27 27 ALA C C 27 179.878 179.878 179.595 0.283 25868 107 1 1 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.645 1.055 25868 108 1 1 . 1 1 27 27 ALA CB C 27 18.323 18.323 17.992 0.331 25868 109 1 1 . 1 1 27 27 ALA H H 27 7.816 7.816 8.256 -0.440 25868 110 1 1 . 1 1 28 28 LEU N N 28 117.285 117.285 119.336 -2.051 25868 111 1 1 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.721 0.306 25868 112 1 1 . 1 1 28 28 LEU C C 28 178.158 178.158 178.822 -0.664 25868 113 1 1 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.248 0.846 25868 114 1 1 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.633 0.621 25868 115 1 1 . 1 1 28 28 LEU H H 28 8.066 8.066 7.724 0.342 25868 116 1 1 . 1 1 29 29 TYR N N 29 119.594 119.594 119.969 -0.375 25868 117 1 1 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.337 -0.343 25868 118 1 1 . 1 1 29 29 TYR C C 29 176.382 176.382 177.595 -1.213 25868 119 1 1 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.965 0.702 25868 120 1 1 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.690 0.220 25868 121 1 1 . 1 1 29 29 TYR H H 29 8.568 8.568 8.538 0.030 25868 122 1 1 . 1 1 30 30 ASN N N 30 116.978 116.978 117.485 -0.507 25868 123 1 1 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.408 -0.147 25868 124 1 1 . 1 1 30 30 ASN C C 30 178.521 178.521 177.644 0.877 25868 125 1 1 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.263 -0.339 25868 126 1 1 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.483 -2.020 25868 127 1 1 . 1 1 30 30 ASN H H 30 8.290 8.290 7.860 0.430 25868 128 1 1 . 1 1 31 31 ILE N N 31 122.107 122.107 119.894 2.213 25868 129 1 1 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.743 -0.386 25868 130 1 1 . 1 1 31 31 ILE C C 31 178.007 178.007 177.637 0.370 25868 131 1 1 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.320 0.877 25868 132 1 1 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.479 0.207 25868 133 1 1 . 1 1 31 31 ILE H H 31 8.006 8.006 8.121 -0.115 25868 134 1 1 . 1 1 32 32 GLY N N 32 107.810 107.810 108.153 -0.343 25868 135 1 1 . 1 1 32 32 GLY C C 32 175.187 175.187 175.701 -0.514 25868 136 1 1 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.895 1.625 25868 137 1 1 . 1 1 32 32 GLY H H 32 7.880 7.880 7.950 -0.070 25868 138 1 1 . 1 1 33 33 LEU N N 33 120.587 120.587 122.008 -1.421 25868 139 1 1 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.961 0.095 25868 140 1 1 . 1 1 33 33 LEU C C 33 180.635 180.635 179.341 1.294 25868 141 1 1 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.951 0.200 25868 142 1 1 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.626 0.051 25868 143 1 1 . 1 1 33 33 LEU H H 33 8.117 8.117 7.852 0.265 25868 144 1 1 . 1 1 34 34 GLU N N 34 120.332 120.332 118.413 1.919 25868 145 1 1 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.047 -0.074 25868 146 1 1 . 1 1 34 34 GLU C C 34 179.479 179.479 179.466 0.013 25868 147 1 1 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.215 -0.353 25868 148 1 1 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.009 0.142 25868 149 1 1 . 1 1 34 34 GLU H H 34 7.763 7.763 7.795 -0.032 25868 150 1 1 . 1 1 35 35 LYS N N 35 118.642 118.642 118.250 0.392 25868 151 1 1 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.044 -0.131 25868 152 1 1 . 1 1 35 35 LYS C C 35 179.149 179.149 178.632 0.517 25868 153 1 1 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.636 -0.794 25868 154 1 1 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.944 -1.230 25868 155 1 1 . 1 1 35 35 LYS H H 35 8.573 8.573 8.062 0.511 25868 156 1 1 . 1 1 36 36 ASN N N 36 119.047 119.047 117.001 2.046 25868 157 1 1 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.527 -0.219 25868 158 1 1 . 1 1 36 36 ASN C C 36 179.782 179.782 178.240 1.542 25868 159 1 1 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.503 0.156 25868 160 1 1 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.291 -0.099 25868 161 1 1 . 1 1 36 36 ASN H H 36 8.348 8.348 7.905 0.443 25868 162 1 1 . 1 1 37 37 LYS N N 37 121.477 121.477 120.431 1.046 25868 163 1 1 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.107 -0.023 25868 164 1 1 . 1 1 37 37 LYS C C 37 177.938 177.938 178.159 -0.221 25868 165 1 1 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.913 0.377 25868 166 1 1 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.468 -0.259 25868 167 1 1 . 1 1 37 37 LYS H H 37 7.956 7.956 8.037 -0.081 25868 168 1 1 . 1 1 38 38 MET N N 38 114.976 114.976 116.109 -1.133 25868 169 1 1 . 1 1 38 38 MET HA H 38 4.519 4.519 4.480 0.039 25868 170 1 1 . 1 1 38 38 MET C C 38 175.847 175.847 176.729 -0.882 25868 171 1 1 . 1 1 38 38 MET CA C 38 55.264 55.264 55.683 -0.419 25868 172 1 1 . 1 1 38 38 MET CB C 38 33.388 33.388 33.041 0.347 25868 173 1 1 . 1 1 38 38 MET H H 38 7.394 7.394 7.730 -0.336 25868 174 1 1 . 1 1 39 39 GLY N N 39 107.575 107.575 108.004 -0.429 25868 175 1 1 . 1 1 39 39 GLY C C 39 174.994 174.994 174.528 0.466 25868 176 1 1 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.258 0.493 25868 177 1 1 . 1 1 39 39 GLY H H 39 7.906 7.906 7.795 0.111 25868 178 1 1 . 1 1 40 40 LYS N N 40 122.563 122.563 123.248 -0.685 25868 179 1 1 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.315 0.421 25868 180 1 1 . 1 1 40 40 LYS C C 40 175.847 175.847 175.114 0.733 25868 181 1 1 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.229 -1.849 25868 182 1 1 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.908 -0.486 25868 183 1 1 . 1 1 40 40 LYS H H 40 7.958 7.958 7.755 0.203 25868 184 1 1 . 1 1 41 41 ALA N N 41 123.662 123.662 124.267 -0.605 25868 185 1 1 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.158 -0.023 25868 186 1 1 . 1 1 41 41 ALA C C 41 178.736 178.736 178.253 0.483 25868 187 1 1 . 1 1 41 41 ALA CA C 41 55.729 55.729 53.876 1.853 25868 188 1 1 . 1 1 41 41 ALA CB C 41 19.966 19.966 19.072 0.894 25868 189 1 1 . 1 1 41 41 ALA H H 41 7.487 7.487 7.781 -0.294 25868 190 1 1 . 1 1 42 42 ARG N N 42 118.612 118.612 119.696 -1.084 25868 191 1 1 . 1 1 42 42 ARG HA H 42 4.000 4.000 3.970 0.030 25868 192 1 1 . 1 1 42 42 ARG C C 42 178.901 178.901 177.899 1.002 25868 193 1 1 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.944 -0.147 25868 194 1 1 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.489 -0.615 25868 195 1 1 . 1 1 42 42 ARG H H 42 8.864 8.864 8.350 0.514 25868 196 1 1 . 1 1 43 43 GLU N N 43 120.194 120.194 118.691 1.503 25868 197 1 1 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.714 0.409 25868 198 1 1 . 1 1 43 43 GLU C C 43 178.901 178.901 178.353 0.548 25868 199 1 1 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.391 0.047 25868 200 1 1 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.439 1.495 25868 201 1 1 . 1 1 43 43 GLU H H 43 8.062 8.062 8.289 -0.227 25868 202 1 1 . 1 1 44 44 ALA N N 44 121.369 121.369 122.507 -1.138 25868 203 1 1 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.670 -0.097 25868 204 1 1 . 1 1 44 44 ALA C C 44 177.911 177.911 178.814 -0.903 25868 205 1 1 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.056 0.706 25868 206 1 1 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.120 0.428 25868 207 1 1 . 1 1 44 44 ALA H H 44 8.627 8.627 7.265 1.362 25868 208 1 1 . 1 1 45 45 ALA N N 45 117.108 117.108 120.355 -3.247 25868 209 1 1 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.134 -0.049 25868 210 1 1 . 1 1 45 45 ALA C C 45 178.078 178.078 179.899 -1.821 25868 211 1 1 . 1 1 45 45 ALA CA C 45 55.576 55.576 54.959 0.617 25868 212 1 1 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.265 -0.825 25868 213 1 1 . 1 1 45 45 ALA H H 45 8.310 8.310 7.669 0.641 25868 214 1 1 . 1 1 46 46 GLU N N 46 115.941 115.941 119.146 -3.205 25868 215 1 1 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.133 -0.214 25868 216 1 1 . 1 1 46 46 GLU C C 46 179.341 179.341 179.384 -0.043 25868 217 1 1 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.081 0.676 25868 218 1 1 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.063 0.074 25868 219 1 1 . 1 1 46 46 GLU H H 46 7.451 7.451 7.798 -0.347 25868 220 1 1 . 1 1 47 47 TYR N N 47 117.925 117.925 119.030 -1.105 25868 221 1 1 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.288 -0.443 25868 222 1 1 . 1 1 47 47 TYR C C 47 178.544 178.544 178.648 -0.104 25868 223 1 1 . 1 1 47 47 TYR CA C 47 64.664 64.664 59.328 5.336 25868 224 1 1 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.591 -0.277 25868 225 1 1 . 1 1 47 47 TYR H H 47 7.746 7.746 7.752 -0.006 25868 226 1 1 . 1 1 48 48 PHE N N 48 118.758 118.758 119.122 -0.364 25868 227 1 1 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.429 0.319 25868 228 1 1 . 1 1 48 48 PHE C C 48 178.227 178.227 178.217 0.010 25868 229 1 1 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.218 -0.665 25868 230 1 1 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.216 -0.067 25868 231 1 1 . 1 1 48 48 PHE H H 48 9.054 9.054 8.170 0.884 25868 232 1 1 . 1 1 49 49 PHE N N 49 120.234 120.234 121.799 -1.565 25868 233 1 1 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.386 0.112 25868 234 1 1 . 1 1 49 49 PHE C C 49 176.645 176.645 177.233 -0.588 25868 235 1 1 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.197 0.025 25868 236 1 1 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.301 0.988 25868 237 1 1 . 1 1 49 49 PHE H H 49 8.981 8.981 8.194 0.787 25868 238 1 1 . 1 1 50 50 ARG N N 50 117.925 117.925 118.682 -0.757 25868 239 1 1 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.828 -0.048 25868 240 1 1 . 1 1 50 50 ARG C C 50 179.369 179.369 178.653 0.716 25868 241 1 1 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.437 0.392 25868 242 1 1 . 1 1 50 50 ARG CB C 50 30.523 30.523 30.001 0.522 25868 243 1 1 . 1 1 50 50 ARG H H 50 8.450 8.450 8.559 -0.109 25868 244 1 1 . 1 1 51 51 ALA N N 51 120.897 120.897 121.924 -1.027 25868 245 1 1 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.991 -0.275 25868 246 1 1 . 1 1 51 51 ALA C C 51 177.085 177.085 178.870 -1.785 25868 247 1 1 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.966 0.132 25868 248 1 1 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.469 -1.203 25868 249 1 1 . 1 1 51 51 ALA H H 51 8.697 8.697 8.123 0.574 25868 250 1 1 . 1 1 52 52 ALA N N 52 120.007 120.007 121.186 -1.179 25868 251 1 1 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.397 -0.328 25868 252 1 1 . 1 1 52 52 ALA C C 52 178.067 178.067 179.795 -1.728 25868 253 1 1 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.161 0.947 25868 254 1 1 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.728 -1.475 25868 255 1 1 . 1 1 52 52 ALA H H 52 8.483 8.483 7.874 0.609 25868 256 1 1 . 1 1 53 53 ILE N N 53 116.864 116.864 118.857 -1.993 25868 257 1 1 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.175 0.008 25868 258 1 1 . 1 1 53 53 ILE C C 53 178.323 178.323 177.628 0.695 25868 259 1 1 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.207 0.558 25868 260 1 1 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.639 0.837 25868 261 1 1 . 1 1 53 53 ILE H H 53 8.033 8.033 7.885 0.148 25868 262 1 1 . 1 1 54 54 VAL N N 54 119.604 119.604 120.215 -0.611 25868 263 1 1 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.419 0.072 25868 264 1 1 . 1 1 54 54 VAL C C 54 178.200 178.200 178.107 0.093 25868 265 1 1 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.604 -0.228 25868 266 1 1 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.422 -0.013 25868 267 1 1 . 1 1 54 54 VAL H H 54 7.126 7.126 7.234 -0.108 25868 268 1 1 . 1 1 55 55 PHE N N 55 118.386 118.386 118.201 0.185 25868 269 1 1 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.118 0.418 25868 270 1 1 . 1 1 55 55 PHE C C 55 178.571 178.571 177.845 0.726 25868 271 1 1 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.352 -1.865 25868 272 1 1 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.824 0.333 25868 273 1 1 . 1 1 55 55 PHE H H 55 9.061 9.061 8.141 0.920 25868 274 1 1 . 1 1 56 56 TYR N N 56 119.488 119.488 120.849 -1.361 25868 275 1 1 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.893 0.458 25868 276 1 1 . 1 1 56 56 TYR C C 56 178.871 178.871 177.161 1.710 25868 277 1 1 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.265 -1.771 25868 278 1 1 . 1 1 56 56 TYR CB C 56 37.803 37.803 37.934 -0.131 25868 279 1 1 . 1 1 56 56 TYR H H 56 8.975 8.975 8.189 0.786 25868 280 1 1 . 1 1 57 57 LYS N N 57 121.083 121.083 116.740 4.343 25868 281 1 1 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.551 -0.088 25868 282 1 1 . 1 1 57 57 LYS C C 57 178.103 178.103 177.854 0.249 25868 283 1 1 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.070 0.775 25868 284 1 1 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.009 -0.284 25868 285 1 1 . 1 1 57 57 LYS H H 57 7.753 7.753 7.570 0.183 25868 286 1 1 . 1 1 58 58 GLU N N 58 114.098 114.098 114.504 -0.406 25868 287 1 1 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.251 -0.094 25868 288 1 1 . 1 1 58 58 GLU C C 58 175.655 175.655 176.397 -0.742 25868 289 1 1 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.791 -0.657 25868 290 1 1 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.963 -0.323 25868 291 1 1 . 1 1 58 58 GLU H H 58 7.849 7.849 7.685 0.164 25868 292 1 1 . 1 1 59 59 HIS N N 59 115.781 115.781 113.913 1.868 25868 293 1 1 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.372 -0.162 25868 294 1 1 . 1 1 59 59 HIS C C 59 173.784 173.784 174.206 -0.422 25868 295 1 1 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.074 -0.663 25868 296 1 1 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.997 -1.159 25868 297 1 1 . 1 1 59 59 HIS H H 59 7.659 7.659 7.494 0.165 25868 298 1 1 . 1 1 60 60 ASP N N 60 118.780 118.780 120.596 -1.816 25868 299 1 1 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.715 0.144 25868 300 1 1 . 1 1 60 60 ASP C C 60 175.847 175.847 176.688 -0.841 25868 301 1 1 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.536 -1.734 25868 302 1 1 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.360 -0.229 25868 303 1 1 . 1 1 60 60 ASP H H 60 8.660 8.660 8.213 0.447 25868 304 1 1 . 1 1 61 61 THR N N 61 118.884 118.884 117.744 1.140 25868 305 1 1 . 1 1 61 61 THR HA H 61 3.763 3.763 4.023 -0.260 25868 306 1 1 . 1 1 61 61 THR C C 61 175.886 175.886 176.054 -0.168 25868 307 1 1 . 1 1 61 61 THR CA C 61 66.159 66.159 66.009 0.150 25868 308 1 1 . 1 1 61 61 THR CB C 61 68.168 68.168 68.543 -0.375 25868 309 1 1 . 1 1 61 61 THR H H 61 7.955 7.955 8.023 -0.068 25868 310 1 1 . 1 1 62 62 ASP N N 62 121.668 121.668 122.228 -0.560 25868 311 1 1 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.286 -0.024 25868 312 1 1 . 1 1 62 62 ASP C C 62 178.461 178.461 178.132 0.329 25868 313 1 1 . 1 1 62 62 ASP CA C 62 57.449 57.449 56.897 0.552 25868 314 1 1 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.402 0.533 25868 315 1 1 . 1 1 62 62 ASP H H 62 8.298 8.298 8.032 0.266 25868 316 1 1 . 1 1 63 63 GLY N N 63 109.003 109.003 107.083 1.920 25868 317 1 1 . 1 1 63 63 GLY C C 63 175.517 175.517 175.556 -0.039 25868 318 1 1 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.085 -0.026 25868 319 1 1 . 1 1 63 63 GLY H H 63 8.018 8.018 8.179 -0.161 25868 320 1 1 . 1 1 64 64 LEU N N 64 122.504 122.504 122.770 -0.266 25868 321 1 1 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.184 -0.102 25868 322 1 1 . 1 1 64 64 LEU C C 64 177.333 177.333 178.288 -0.955 25868 323 1 1 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.305 1.188 25868 324 1 1 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.889 0.218 25868 325 1 1 . 1 1 64 64 LEU H H 64 8.073 8.073 7.858 0.215 25868 326 1 1 . 1 1 65 65 ARG N N 65 118.626 118.626 118.821 -0.195 25868 327 1 1 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.930 -0.038 25868 328 1 1 . 1 1 65 65 ARG C C 65 179.045 179.045 178.466 0.579 25868 329 1 1 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.723 0.132 25868 330 1 1 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.052 -0.117 25868 331 1 1 . 1 1 65 65 ARG H H 65 8.491 8.491 8.051 0.440 25868 332 1 1 . 1 1 66 66 ARG N N 66 119.009 119.009 119.296 -0.287 25868 333 1 1 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.009 -0.042 25868 334 1 1 . 1 1 66 66 ARG C C 66 178.943 178.943 177.685 1.258 25868 335 1 1 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.011 0.202 25868 336 1 1 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.891 -0.340 25868 337 1 1 . 1 1 66 66 ARG H H 66 7.601 7.601 7.886 -0.285 25868 338 1 1 . 1 1 67 67 ALA N N 67 122.174 122.174 120.964 1.210 25868 339 1 1 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.405 -0.228 25868 340 1 1 . 1 1 67 67 ALA C C 67 178.654 178.654 179.531 -0.877 25868 341 1 1 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.787 1.307 25868 342 1 1 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.386 -0.507 25868 343 1 1 . 1 1 67 67 ALA H H 67 8.681 8.681 7.981 0.700 25868 344 1 1 . 1 1 68 68 ALA N N 68 119.208 119.208 121.691 -2.483 25868 345 1 1 . 1 1 68 68 ALA HA H 68 3.951 3.951 3.960 -0.009 25868 346 1 1 . 1 1 68 68 ALA C C 68 179.562 179.562 179.102 0.460 25868 347 1 1 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.334 0.230 25868 348 1 1 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.132 -0.291 25868 349 1 1 . 1 1 68 68 ALA H H 68 9.060 9.060 8.108 0.952 25868 350 1 1 . 1 1 69 69 LYS N N 69 119.434 119.434 118.591 0.843 25868 351 1 1 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.955 0.035 25868 352 1 1 . 1 1 69 69 LYS C C 69 178.929 178.929 179.203 -0.274 25868 353 1 1 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.620 -0.085 25868 354 1 1 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.409 -0.299 25868 355 1 1 . 1 1 69 69 LYS H H 69 7.997 7.997 7.955 0.042 25868 356 1 1 . 1 1 70 70 SER N N 70 116.406 116.406 116.251 0.155 25868 357 1 1 . 1 1 70 70 SER HA H 70 3.908 3.908 4.072 -0.164 25868 358 1 1 . 1 1 70 70 SER C C 70 175.957 175.957 176.063 -0.106 25868 359 1 1 . 1 1 70 70 SER CA C 70 62.776 62.776 61.213 1.563 25868 360 1 1 . 1 1 70 70 SER CB C 70 60.389 60.389 62.633 -2.244 25868 361 1 1 . 1 1 70 70 SER H H 70 8.105 8.105 7.708 0.397 25868 362 1 1 . 1 1 71 71 LEU N N 71 123.712 123.712 123.603 0.109 25868 363 1 1 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.096 -0.015 25868 364 1 1 . 1 1 71 71 LEU C C 71 176.893 176.893 178.020 -1.127 25868 365 1 1 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.371 0.606 25868 366 1 1 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.010 0.434 25868 367 1 1 . 1 1 71 71 LEU H H 71 8.315 8.315 7.923 0.392 25868 368 1 1 . 1 1 72 72 LYS N N 72 117.431 117.431 116.951 0.480 25868 369 1 1 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.005 -0.143 25868 370 1 1 . 1 1 72 72 LYS C C 72 179.617 179.617 178.946 0.671 25868 371 1 1 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.427 0.113 25868 372 1 1 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.901 0.089 25868 373 1 1 . 1 1 72 72 LYS H H 72 7.785 7.785 7.582 0.203 25868 374 1 1 . 1 1 73 73 GLU N N 73 117.402 117.402 119.053 -1.651 25868 375 1 1 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.328 -0.309 25868 376 1 1 . 1 1 73 73 GLU C C 73 178.475 178.475 177.880 0.595 25868 377 1 1 . 1 1 73 73 GLU CA C 73 58.645 58.645 57.886 0.759 25868 378 1 1 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.787 -0.378 25868 379 1 1 . 1 1 73 73 GLU H H 73 7.920 7.920 7.635 0.285 25868 380 1 1 . 1 1 74 74 ALA N N 74 122.211 122.211 122.071 0.140 25868 381 1 1 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.285 0.034 25868 382 1 1 . 1 1 74 74 ALA C C 74 178.839 178.839 178.605 0.234 25868 383 1 1 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.546 -0.168 25868 384 1 1 . 1 1 74 74 ALA CB C 74 17.530 17.530 19.078 -1.548 25868 385 1 1 . 1 1 74 74 ALA H H 74 8.010 8.010 7.804 0.206 25868 386 1 1 . 1 1 75 75 ILE N N 75 113.486 113.486 117.268 -3.782 25868 387 1 1 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.790 -0.375 25868 388 1 1 . 1 1 75 75 ILE C C 75 177.333 177.333 178.624 -1.291 25868 389 1 1 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.570 1.244 25868 390 1 1 . 1 1 75 75 ILE CB C 75 38.197 38.197 38.324 -0.127 25868 391 1 1 . 1 1 75 75 ILE H H 75 7.405 7.405 7.720 -0.315 25868 392 1 1 . 1 1 76 76 THR N N 76 105.977 105.977 113.611 -7.634 25868 393 1 1 . 1 1 76 76 THR HA H 76 3.963 3.963 4.117 -0.154 25868 394 1 1 . 1 1 76 76 THR C C 76 174.609 174.609 175.233 -0.624 25868 395 1 1 . 1 1 76 76 THR CA C 76 63.773 63.773 64.331 -0.558 25868 396 1 1 . 1 1 76 76 THR CB C 76 68.757 68.757 68.717 0.040 25868 397 1 1 . 1 1 76 76 THR H H 76 7.217 7.217 7.798 -0.581 25868 398 1 1 . 1 1 77 77 ALA N N 77 122.534 122.534 123.179 -0.645 25868 399 1 1 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.526 -0.109 25868 400 1 1 . 1 1 77 77 ALA C C 77 177.085 177.085 177.378 -0.293 25868 401 1 1 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.359 0.269 25868 402 1 1 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.399 0.382 25868 403 1 1 . 1 1 77 77 ALA H H 77 7.486 7.486 7.518 -0.032 25868 404 1 1 . 1 1 78 78 ILE N N 78 123.223 123.223 121.924 1.299 25868 405 1 1 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.014 0.198 25868 406 1 1 . 1 1 78 78 ILE C C 78 174.939 174.939 174.969 -0.030 25868 407 1 1 . 1 1 78 78 ILE CA C 78 59.798 59.798 60.555 -0.757 25868 408 1 1 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.967 1.649 25868 409 1 1 . 1 1 78 78 ILE H H 78 7.428 7.428 7.144 0.284 25868 410 1 1 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.517 -0.079 25868 411 1 1 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.246 1.839 25868 412 1 1 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.418 -0.109 25868 413 1 1 . 1 1 83 83 GLY N N 83 105.726 105.726 112.092 -6.366 25868 414 1 1 . 1 1 83 83 GLY C C 83 175.765 175.765 174.565 1.200 25868 415 1 1 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.665 0.826 25868 416 1 1 . 1 1 83 83 GLY H H 83 7.613 7.613 8.776 -1.163 25868 417 1 1 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.838 0.046 25868 418 1 1 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.369 1.952 25868 419 1 1 . 1 1 84 84 ARG CB C 84 30.827 30.827 27.955 2.872 25868 420 1 1 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.286 -0.302 25868 421 1 1 . 1 1 86 86 GLU C C 86 179.163 179.163 177.225 1.938 25868 422 1 1 . 1 1 86 86 GLU CA C 86 59.196 59.196 57.055 2.141 25868 423 1 1 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.384 -0.456 25868 424 1 1 . 1 1 86 86 GLU H H 86 7.965 7.965 7.527 0.438 25868 425 1 1 . 1 1 87 87 ALA N N 87 122.092 122.092 122.797 -0.705 25868 426 1 1 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.075 0.124 25868 427 1 1 . 1 1 87 87 ALA C C 87 178.980 178.980 179.186 -0.206 25868 428 1 1 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.301 0.368 25868 429 1 1 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.509 -0.096 25868 430 1 1 . 1 1 87 87 ALA H H 87 8.108 8.108 8.037 0.071 25868 431 1 1 . 1 1 88 88 LYS N N 88 118.808 118.808 118.560 0.248 25868 432 1 1 . 1 1 88 88 LYS HA H 88 3.893 3.893 4.007 -0.114 25868 433 1 1 . 1 1 88 88 LYS C C 88 179.341 179.341 178.414 0.927 25868 434 1 1 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.948 1.055 25868 435 1 1 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.259 -0.033 25868 436 1 1 . 1 1 88 88 LYS H H 88 8.501 8.501 7.926 0.575 25868 437 1 1 . 1 1 89 89 GLU N N 89 119.454 119.454 118.429 1.025 25868 438 1 1 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.035 -0.040 25868 439 1 1 . 1 1 89 89 GLU C C 89 179.017 179.017 178.749 0.268 25868 440 1 1 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.667 0.276 25868 441 1 1 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.740 0.092 25868 442 1 1 . 1 1 89 89 GLU H H 89 7.544 7.544 7.904 -0.360 25868 443 1 1 . 1 1 90 90 MET N N 90 119.262 119.262 117.666 1.596 25868 444 1 1 . 1 1 90 90 MET HA H 90 3.284 3.284 3.706 -0.422 25868 445 1 1 . 1 1 90 90 MET C C 90 177.003 177.003 177.897 -0.894 25868 446 1 1 . 1 1 90 90 MET CA C 90 59.168 59.168 58.462 0.706 25868 447 1 1 . 1 1 90 90 MET CB C 90 33.468 33.468 31.599 1.869 25868 448 1 1 . 1 1 90 90 MET H H 90 7.600 7.600 7.239 0.361 25868 449 1 1 . 1 1 91 91 ALA N N 91 120.041 120.041 122.278 -2.237 25868 450 1 1 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.979 -0.111 25868 451 1 1 . 1 1 91 91 ALA C C 91 179.039 179.039 179.225 -0.186 25868 452 1 1 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.126 -0.096 25868 453 1 1 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.056 0.028 25868 454 1 1 . 1 1 91 91 ALA H H 91 8.212 8.212 7.553 0.659 25868 455 1 1 . 1 1 92 92 LYS N N 92 118.442 118.442 117.445 0.997 25868 456 1 1 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.873 0.049 25868 457 1 1 . 1 1 92 92 LYS C C 92 178.874 178.874 178.961 -0.087 25868 458 1 1 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.269 -0.148 25868 459 1 1 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.979 0.264 25868 460 1 1 . 1 1 92 92 LYS H H 92 7.819 7.819 7.372 0.447 25868 461 1 1 . 1 1 93 93 LYS N N 93 119.228 119.228 118.954 0.274 25868 462 1 1 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.649 -0.072 25868 463 1 1 . 1 1 93 93 LYS C C 93 176.618 176.618 178.088 -1.470 25868 464 1 1 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.528 -0.402 25868 465 1 1 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.653 -0.508 25868 466 1 1 . 1 1 93 93 LYS H H 93 7.449 7.449 7.635 -0.186 25868 467 1 1 . 1 1 94 94 ALA N N 94 117.825 117.825 120.966 -3.141 25868 468 1 1 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.779 0.002 25868 469 1 1 . 1 1 94 94 ALA C C 94 178.736 178.736 179.579 -0.843 25868 470 1 1 . 1 1 94 94 ALA CA C 94 54.878 54.878 54.892 -0.014 25868 471 1 1 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.219 -0.976 25868 472 1 1 . 1 1 94 94 ALA H H 94 7.698 7.698 7.635 0.063 25868 473 1 1 . 1 1 95 95 GLU N N 95 115.361 115.361 118.714 -3.353 25868 474 1 1 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.959 -0.050 25868 475 1 1 . 1 1 95 95 GLU C C 95 178.984 178.984 179.224 -0.240 25868 476 1 1 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.310 0.070 25868 477 1 1 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.003 0.473 25868 478 1 1 . 1 1 95 95 GLU H H 95 7.907 7.907 7.905 0.002 25868 479 1 1 . 1 1 96 96 GLU N N 96 121.608 121.608 119.272 2.336 25868 480 1 1 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.083 -0.134 25868 481 1 1 . 1 1 96 96 GLU C C 96 180.249 180.249 179.423 0.826 25868 482 1 1 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.792 0.405 25868 483 1 1 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.032 -0.152 25868 484 1 1 . 1 1 96 96 GLU H H 96 7.815 7.815 7.534 0.281 25868 485 1 1 . 1 1 97 97 TRP N N 97 122.511 122.511 119.824 2.687 25868 486 1 1 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.401 -0.003 25868 487 1 1 . 1 1 97 97 TRP C C 97 178.007 178.007 178.779 -0.772 25868 488 1 1 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.833 -1.097 25868 489 1 1 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.139 -0.161 25868 490 1 1 . 1 1 97 97 TRP H H 97 8.069 8.069 8.027 0.042 25868 491 1 1 . 1 1 98 98 LEU N N 98 119.235 119.235 121.073 -1.838 25868 492 1 1 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.049 0.034 25868 493 1 1 . 1 1 98 98 LEU C C 98 178.599 178.599 179.075 -0.476 25868 494 1 1 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.347 -0.693 25868 495 1 1 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.760 0.205 25868 496 1 1 . 1 1 98 98 LEU H H 98 8.077 8.077 7.785 0.292 25868 497 1 1 . 1 1 99 99 GLN N N 99 117.609 117.609 117.101 0.508 25868 498 1 1 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.013 0.103 25868 499 1 1 . 1 1 99 99 GLN C C 99 177.636 177.636 178.492 -0.856 25868 500 1 1 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.626 -0.906 25868 501 1 1 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.204 0.042 25868 502 1 1 . 1 1 99 99 GLN H H 99 8.077 8.077 8.256 -0.179 25868 503 1 1 . 1 1 100 100 ALA N N 100 122.106 122.106 121.733 0.373 25868 504 1 1 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.219 0.086 25868 505 1 1 . 1 1 100 100 ALA C C 100 179.424 179.424 179.666 -0.242 25868 506 1 1 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.530 -0.477 25868 507 1 1 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.396 0.157 25868 508 1 1 . 1 1 100 100 ALA H H 100 7.944 7.944 7.788 0.156 25868 509 1 1 . 1 1 101 101 GLU N N 101 117.817 117.817 118.709 -0.892 25868 510 1 1 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.227 0.129 25868 511 1 1 . 1 1 101 101 GLU C C 101 177.415 177.415 178.440 -1.025 25868 512 1 1 . 1 1 101 101 GLU CA C 101 57.013 57.013 58.374 -1.361 25868 513 1 1 . 1 1 101 101 GLU CB C 101 30.399 30.399 29.758 0.641 25868 514 1 1 . 1 1 101 101 GLU H H 101 8.162 8.162 8.108 0.054 25868 515 1 1 . 1 1 102 102 GLN N N 102 118.194 118.194 117.685 0.509 25868 516 1 1 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.318 0.016 25868 517 1 1 . 1 1 102 102 GLN C C 102 175.755 175.755 177.013 -1.258 25868 518 1 1 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.947 0.380 25868 519 1 1 . 1 1 102 102 GLN CB C 102 29.294 29.294 29.367 -0.073 25868 520 1 1 . 1 1 102 102 GLN H H 102 8.094 8.094 7.581 0.513 25868 521 1 1 . 1 1 103 103 ASN N N 103 119.032 119.032 116.848 2.184 25868 522 1 1 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.405 0.385 25868 523 1 1 . 1 1 103 103 ASN C C 103 173.949 173.949 174.413 -0.464 25868 524 1 1 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.892 -0.863 25868 525 1 1 . 1 1 103 103 ASN CB C 103 39.050 39.050 37.835 1.215 25868 526 1 1 . 1 1 103 103 ASN H H 103 8.149 8.149 8.370 -0.221 25868 527 1 2 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.764 -0.190 25868 528 1 2 . 1 1 2 2 ASP C C 2 176.630 176.630 176.795 -0.165 25868 529 1 2 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.498 0.544 25868 530 1 2 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.412 -0.511 25868 531 1 2 . 1 1 3 3 GLU N N 3 121.683 121.683 122.192 -0.509 25868 532 1 2 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.011 0.169 25868 533 1 2 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.443 -1.546 25868 534 1 2 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.481 -0.074 25868 535 1 2 . 1 1 3 3 GLU H H 3 8.889 8.889 8.634 0.255 25868 536 1 2 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.403 0.042 25868 537 1 2 . 1 1 4 4 ASN C C 4 176.095 176.095 177.796 -1.701 25868 538 1 2 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.797 -1.153 25868 539 1 2 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.536 0.270 25868 540 1 2 . 1 1 5 5 ILE N N 5 119.355 119.355 120.848 -1.493 25868 541 1 2 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.963 -0.086 25868 542 1 2 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.784 -0.703 25868 543 1 2 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.745 -0.054 25868 544 1 2 . 1 1 5 5 ILE H H 5 8.018 8.018 8.002 0.016 25868 545 1 2 . 1 1 6 6 ALA N N 6 123.430 123.430 120.880 2.550 25868 546 1 2 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.981 0.268 25868 547 1 2 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.186 -1.015 25868 548 1 2 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.011 0.233 25868 549 1 2 . 1 1 6 6 ALA H H 6 8.041 8.041 8.059 -0.018 25868 550 1 2 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.012 0.018 25868 551 1 2 . 1 1 7 7 LYS C C 7 178.778 178.778 178.997 -0.219 25868 552 1 2 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.766 -0.012 25868 553 1 2 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.142 -0.129 25868 554 1 2 . 1 1 8 8 PHE N N 8 120.439 120.439 118.374 2.065 25868 555 1 2 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.315 0.359 25868 556 1 2 . 1 1 8 8 PHE C C 8 177.470 177.470 178.116 -0.646 25868 557 1 2 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.039 -0.884 25868 558 1 2 . 1 1 8 8 PHE CB C 8 39.276 39.276 37.990 1.286 25868 559 1 2 . 1 1 8 8 PHE H H 8 7.908 7.908 7.358 0.550 25868 560 1 2 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.078 0.051 25868 561 1 2 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.107 0.005 25868 562 1 2 . 1 1 9 9 GLU CB C 9 29.794 29.794 28.849 0.945 25868 563 1 2 . 1 1 11 11 ALA N N 11 122.712 122.712 119.611 3.101 25868 564 1 2 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.258 -0.052 25868 565 1 2 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.699 0.471 25868 566 1 2 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.498 -1.237 25868 567 1 2 . 1 1 11 11 ALA H H 11 7.945 7.945 7.498 0.447 25868 568 1 2 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.535 -0.414 25868 569 1 2 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.143 2.023 25868 570 1 2 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.581 -0.581 25868 571 1 2 . 1 1 13 13 LYS N N 13 120.452 120.452 125.506 -5.054 25868 572 1 2 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.448 -0.408 25868 573 1 2 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.706 3.107 25868 574 1 2 . 1 1 13 13 LYS CB C 13 32.327 32.327 31.880 0.447 25868 575 1 2 . 1 1 13 13 LYS H H 13 8.017 8.017 7.852 0.165 25868 576 1 2 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.385 -0.231 25868 577 1 2 . 1 1 14 14 LYS CA C 14 57.675 57.675 57.274 0.401 25868 578 1 2 . 1 1 14 14 LYS CB C 14 32.196 32.196 31.805 0.391 25868 579 1 2 . 1 1 14 14 LYS H H 14 8.011 8.011 8.020 -0.009 25868 580 1 2 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.761 -0.489 25868 581 1 2 . 1 1 15 15 ALA C C 15 179.056 179.056 177.760 1.296 25868 582 1 2 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.180 1.791 25868 583 1 2 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.426 -0.742 25868 584 1 2 . 1 1 16 16 GLU N N 16 120.136 120.136 119.585 0.551 25868 585 1 2 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.153 0.062 25868 586 1 2 . 1 1 16 16 GLU C C 16 179.176 179.176 178.595 0.581 25868 587 1 2 . 1 1 16 16 GLU CA C 16 58.499 58.499 58.087 0.412 25868 588 1 2 . 1 1 16 16 GLU CB C 16 29.915 29.915 29.961 -0.046 25868 589 1 2 . 1 1 16 16 GLU H H 16 8.599 8.599 8.616 -0.017 25868 590 1 2 . 1 1 17 17 GLU N N 17 120.683 120.683 119.885 0.798 25868 591 1 2 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.115 -0.041 25868 592 1 2 . 1 1 17 17 GLU CA C 17 58.104 58.104 57.859 0.245 25868 593 1 2 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.402 0.316 25868 594 1 2 . 1 1 17 17 GLU H H 17 8.009 8.009 8.457 -0.448 25868 595 1 2 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.379 -0.049 25868 596 1 2 . 1 1 18 18 LEU CA C 18 54.498 54.498 53.920 0.577 25868 597 1 2 . 1 1 18 18 LEU CB C 18 41.969 41.969 42.554 -0.585 25868 598 1 2 . 1 1 18 18 LEU H H 18 7.614 7.614 7.539 0.075 25868 599 1 2 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.401 0.008 25868 600 1 2 . 1 1 19 19 ASN C C 19 174.609 174.609 175.167 -0.558 25868 601 1 2 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.063 -0.387 25868 602 1 2 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.914 -1.089 25868 603 1 2 . 1 1 20 20 GLN N N 20 118.736 118.736 118.339 0.397 25868 604 1 2 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.324 0.136 25868 605 1 2 . 1 1 20 20 GLN C C 20 176.659 176.659 175.747 0.912 25868 606 1 2 . 1 1 20 20 GLN CA C 20 54.688 54.688 56.614 -1.926 25868 607 1 2 . 1 1 20 20 GLN CB C 20 28.164 28.164 28.245 -0.081 25868 608 1 2 . 1 1 20 20 GLN H H 20 8.340 8.340 7.791 0.549 25868 609 1 2 . 1 1 21 21 GLY N N 21 111.864 111.864 112.332 -0.468 25868 610 1 2 . 1 1 21 21 GLY CA C 21 47.053 47.053 45.787 1.266 25868 611 1 2 . 1 1 21 21 GLY H H 21 8.455 8.455 8.760 -0.305 25868 612 1 2 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.075 0.188 25868 613 1 2 . 1 1 23 23 LEU C C 23 179.620 179.620 177.480 2.140 25868 614 1 2 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.411 -0.017 25868 615 1 2 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.752 -0.201 25868 616 1 2 . 1 1 24 24 MET N N 24 120.657 120.657 115.201 5.456 25868 617 1 2 . 1 1 24 24 MET HA H 24 4.077 4.077 4.455 -0.378 25868 618 1 2 . 1 1 24 24 MET CB C 24 34.035 34.035 32.953 1.082 25868 619 1 2 . 1 1 24 24 MET H H 24 8.219 8.219 7.417 0.802 25868 620 1 2 . 1 1 25 25 GLY N N 25 106.956 106.956 108.164 -1.208 25868 621 1 2 . 1 1 25 25 GLY C C 25 175.016 175.016 176.753 -1.737 25868 622 1 2 . 1 1 25 25 GLY CA C 25 47.771 47.771 47.134 0.637 25868 623 1 2 . 1 1 25 25 GLY H H 25 8.589 8.589 8.149 0.440 25868 624 1 2 . 1 1 26 26 ARG N N 26 119.970 119.970 123.200 -3.230 25868 625 1 2 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.484 -0.268 25868 626 1 2 . 1 1 26 26 ARG C C 26 177.966 177.966 178.342 -0.376 25868 627 1 2 . 1 1 26 26 ARG CA C 26 59.727 59.727 58.681 1.046 25868 628 1 2 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.185 0.078 25868 629 1 2 . 1 1 26 26 ARG H H 26 8.297 8.297 8.367 -0.070 25868 630 1 2 . 1 1 27 27 ALA N N 27 121.499 121.499 121.479 0.020 25868 631 1 2 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.118 0.146 25868 632 1 2 . 1 1 27 27 ALA C C 27 179.878 179.878 179.887 -0.009 25868 633 1 2 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.786 0.914 25868 634 1 2 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.352 -0.029 25868 635 1 2 . 1 1 27 27 ALA H H 27 7.816 7.816 8.063 -0.247 25868 636 1 2 . 1 1 28 28 LEU N N 28 117.285 117.285 118.457 -1.172 25868 637 1 2 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.749 0.278 25868 638 1 2 . 1 1 28 28 LEU C C 28 178.158 178.158 178.540 -0.382 25868 639 1 2 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.047 1.047 25868 640 1 2 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.680 0.574 25868 641 1 2 . 1 1 28 28 LEU H H 28 8.066 8.066 7.789 0.277 25868 642 1 2 . 1 1 29 29 TYR N N 29 119.594 119.594 120.314 -0.720 25868 643 1 2 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.303 -0.309 25868 644 1 2 . 1 1 29 29 TYR C C 29 176.382 176.382 177.491 -1.109 25868 645 1 2 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.649 1.018 25868 646 1 2 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.464 0.446 25868 647 1 2 . 1 1 29 29 TYR H H 29 8.568 8.568 7.701 0.867 25868 648 1 2 . 1 1 30 30 ASN N N 30 116.978 116.978 116.941 0.037 25868 649 1 2 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.162 0.099 25868 650 1 2 . 1 1 30 30 ASN C C 30 178.521 178.521 177.429 1.092 25868 651 1 2 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.434 -0.510 25868 652 1 2 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.828 -1.365 25868 653 1 2 . 1 1 30 30 ASN H H 30 8.290 8.290 7.760 0.530 25868 654 1 2 . 1 1 31 31 ILE N N 31 122.107 122.107 120.511 1.596 25868 655 1 2 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.571 -0.214 25868 656 1 2 . 1 1 31 31 ILE C C 31 178.007 178.007 177.579 0.428 25868 657 1 2 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.216 0.981 25868 658 1 2 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.135 0.551 25868 659 1 2 . 1 1 31 31 ILE H H 31 8.006 8.006 7.263 0.743 25868 660 1 2 . 1 1 32 32 GLY N N 32 107.810 107.810 107.898 -0.088 25868 661 1 2 . 1 1 32 32 GLY C C 32 175.187 175.187 175.677 -0.490 25868 662 1 2 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.783 1.737 25868 663 1 2 . 1 1 32 32 GLY H H 32 7.880 7.880 7.791 0.089 25868 664 1 2 . 1 1 33 33 LEU N N 33 120.587 120.587 122.475 -1.888 25868 665 1 2 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.023 0.033 25868 666 1 2 . 1 1 33 33 LEU C C 33 180.635 180.635 179.269 1.366 25868 667 1 2 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.708 0.443 25868 668 1 2 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.565 0.112 25868 669 1 2 . 1 1 33 33 LEU H H 33 8.117 8.117 7.796 0.321 25868 670 1 2 . 1 1 34 34 GLU N N 34 120.332 120.332 118.585 1.747 25868 671 1 2 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.021 -0.048 25868 672 1 2 . 1 1 34 34 GLU C C 34 179.479 179.479 179.421 0.058 25868 673 1 2 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.225 -0.363 25868 674 1 2 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.008 0.143 25868 675 1 2 . 1 1 34 34 GLU H H 34 7.763 7.763 7.745 0.018 25868 676 1 2 . 1 1 35 35 LYS N N 35 118.642 118.642 118.469 0.173 25868 677 1 2 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.046 -0.133 25868 678 1 2 . 1 1 35 35 LYS C C 35 179.149 179.149 178.845 0.304 25868 679 1 2 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.634 -0.792 25868 680 1 2 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.893 -1.179 25868 681 1 2 . 1 1 35 35 LYS H H 35 8.573 8.573 7.767 0.806 25868 682 1 2 . 1 1 36 36 ASN N N 36 119.047 119.047 117.286 1.761 25868 683 1 2 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.508 -0.200 25868 684 1 2 . 1 1 36 36 ASN C C 36 179.782 179.782 177.476 2.306 25868 685 1 2 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.641 0.018 25868 686 1 2 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.375 -0.183 25868 687 1 2 . 1 1 36 36 ASN H H 36 8.348 8.348 8.107 0.241 25868 688 1 2 . 1 1 37 37 LYS N N 37 121.477 121.477 118.922 2.555 25868 689 1 2 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.135 -0.051 25868 690 1 2 . 1 1 37 37 LYS C C 37 177.938 177.938 178.307 -0.369 25868 691 1 2 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.035 1.255 25868 692 1 2 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.219 -0.010 25868 693 1 2 . 1 1 37 37 LYS H H 37 7.956 7.956 7.844 0.112 25868 694 1 2 . 1 1 38 38 MET N N 38 114.976 114.976 116.346 -1.370 25868 695 1 2 . 1 1 38 38 MET HA H 38 4.519 4.519 4.494 0.025 25868 696 1 2 . 1 1 38 38 MET C C 38 175.847 175.847 176.661 -0.814 25868 697 1 2 . 1 1 38 38 MET CA C 38 55.264 55.264 55.775 -0.511 25868 698 1 2 . 1 1 38 38 MET CB C 38 33.388 33.388 32.902 0.486 25868 699 1 2 . 1 1 38 38 MET H H 38 7.394 7.394 7.726 -0.332 25868 700 1 2 . 1 1 39 39 GLY N N 39 107.575 107.575 107.692 -0.117 25868 701 1 2 . 1 1 39 39 GLY C C 39 174.994 174.994 174.852 0.142 25868 702 1 2 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.560 0.191 25868 703 1 2 . 1 1 39 39 GLY H H 39 7.906 7.906 7.615 0.291 25868 704 1 2 . 1 1 40 40 LYS N N 40 122.563 122.563 122.754 -0.191 25868 705 1 2 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.404 0.332 25868 706 1 2 . 1 1 40 40 LYS C C 40 175.847 175.847 175.748 0.099 25868 707 1 2 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.474 -1.094 25868 708 1 2 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.844 -0.422 25868 709 1 2 . 1 1 40 40 LYS H H 40 7.958 7.958 8.138 -0.180 25868 710 1 2 . 1 1 41 41 ALA N N 41 123.662 123.662 123.543 0.119 25868 711 1 2 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.103 0.032 25868 712 1 2 . 1 1 41 41 ALA C C 41 178.736 178.736 178.903 -0.167 25868 713 1 2 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.918 0.811 25868 714 1 2 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.933 1.033 25868 715 1 2 . 1 1 41 41 ALA H H 41 7.487 7.487 7.869 -0.382 25868 716 1 2 . 1 1 42 42 ARG N N 42 118.612 118.612 118.888 -0.276 25868 717 1 2 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.018 -0.018 25868 718 1 2 . 1 1 42 42 ARG C C 42 178.901 178.901 178.274 0.627 25868 719 1 2 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.716 0.081 25868 720 1 2 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.541 -0.667 25868 721 1 2 . 1 1 42 42 ARG H H 42 8.864 8.864 8.465 0.399 25868 722 1 2 . 1 1 43 43 GLU N N 43 120.194 120.194 119.035 1.159 25868 723 1 2 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.887 0.236 25868 724 1 2 . 1 1 43 43 GLU C C 43 178.901 178.901 178.538 0.363 25868 725 1 2 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.402 0.036 25868 726 1 2 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.715 1.218 25868 727 1 2 . 1 1 43 43 GLU H H 43 8.062 8.062 7.982 0.080 25868 728 1 2 . 1 1 44 44 ALA N N 44 121.369 121.369 122.665 -1.296 25868 729 1 2 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.865 -0.292 25868 730 1 2 . 1 1 44 44 ALA C C 44 177.911 177.911 178.982 -1.071 25868 731 1 2 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.051 0.711 25868 732 1 2 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.169 0.379 25868 733 1 2 . 1 1 44 44 ALA H H 44 8.627 8.627 7.775 0.852 25868 734 1 2 . 1 1 45 45 ALA N N 45 117.108 117.108 120.777 -3.669 25868 735 1 2 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.202 -0.117 25868 736 1 2 . 1 1 45 45 ALA C C 45 178.078 178.078 179.740 -1.662 25868 737 1 2 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.264 0.312 25868 738 1 2 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.524 -1.084 25868 739 1 2 . 1 1 45 45 ALA H H 45 8.310 8.310 7.863 0.447 25868 740 1 2 . 1 1 46 46 GLU N N 46 115.941 115.941 117.954 -2.013 25868 741 1 2 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.119 -0.200 25868 742 1 2 . 1 1 46 46 GLU C C 46 179.341 179.341 178.786 0.555 25868 743 1 2 . 1 1 46 46 GLU CA C 46 59.757 59.757 58.664 1.093 25868 744 1 2 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.160 -0.023 25868 745 1 2 . 1 1 46 46 GLU H H 46 7.451 7.451 7.609 -0.158 25868 746 1 2 . 1 1 47 47 TYR N N 47 117.925 117.925 119.904 -1.979 25868 747 1 2 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.190 -0.345 25868 748 1 2 . 1 1 47 47 TYR C C 47 178.544 178.544 178.357 0.187 25868 749 1 2 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.444 4.220 25868 750 1 2 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.943 -0.629 25868 751 1 2 . 1 1 47 47 TYR H H 47 7.746 7.746 7.799 -0.053 25868 752 1 2 . 1 1 48 48 PHE N N 48 118.758 118.758 119.045 -0.287 25868 753 1 2 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.449 0.299 25868 754 1 2 . 1 1 48 48 PHE C C 48 178.227 178.227 177.920 0.307 25868 755 1 2 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.484 -0.931 25868 756 1 2 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.175 -0.026 25868 757 1 2 . 1 1 48 48 PHE H H 48 9.054 9.054 8.090 0.964 25868 758 1 2 . 1 1 49 49 PHE N N 49 120.234 120.234 121.461 -1.227 25868 759 1 2 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.295 0.203 25868 760 1 2 . 1 1 49 49 PHE C C 49 176.645 176.645 177.287 -0.642 25868 761 1 2 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.572 -0.351 25868 762 1 2 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.178 1.111 25868 763 1 2 . 1 1 49 49 PHE H H 49 8.981 8.981 8.054 0.927 25868 764 1 2 . 1 1 50 50 ARG N N 50 117.925 117.925 118.643 -0.718 25868 765 1 2 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.843 -0.063 25868 766 1 2 . 1 1 50 50 ARG C C 50 179.369 179.369 178.694 0.675 25868 767 1 2 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.456 0.373 25868 768 1 2 . 1 1 50 50 ARG CB C 50 30.523 30.523 30.019 0.504 25868 769 1 2 . 1 1 50 50 ARG H H 50 8.450 8.450 8.627 -0.177 25868 770 1 2 . 1 1 51 51 ALA N N 51 120.897 120.897 121.239 -0.342 25868 771 1 2 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.978 -0.262 25868 772 1 2 . 1 1 51 51 ALA C C 51 177.085 177.085 178.918 -1.833 25868 773 1 2 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.623 0.475 25868 774 1 2 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.400 -1.134 25868 775 1 2 . 1 1 51 51 ALA H H 51 8.697 8.697 7.642 1.055 25868 776 1 2 . 1 1 52 52 ALA N N 52 120.007 120.007 121.144 -1.137 25868 777 1 2 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.314 -0.245 25868 778 1 2 . 1 1 52 52 ALA C C 52 178.067 178.067 179.649 -1.582 25868 779 1 2 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.029 1.079 25868 780 1 2 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.690 -1.437 25868 781 1 2 . 1 1 52 52 ALA H H 52 8.483 8.483 7.912 0.571 25868 782 1 2 . 1 1 53 53 ILE N N 53 116.864 116.864 118.361 -1.497 25868 783 1 2 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.184 -0.001 25868 784 1 2 . 1 1 53 53 ILE C C 53 178.323 178.323 177.505 0.818 25868 785 1 2 . 1 1 53 53 ILE CA C 53 65.765 65.765 64.942 0.823 25868 786 1 2 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.393 1.083 25868 787 1 2 . 1 1 53 53 ILE H H 53 8.033 8.033 7.749 0.284 25868 788 1 2 . 1 1 54 54 VAL N N 54 119.604 119.604 119.956 -0.352 25868 789 1 2 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.642 -0.151 25868 790 1 2 . 1 1 54 54 VAL C C 54 178.200 178.200 178.344 -0.144 25868 791 1 2 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.330 1.046 25868 792 1 2 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.873 0.535 25868 793 1 2 . 1 1 54 54 VAL H H 54 7.126 7.126 7.156 -0.030 25868 794 1 2 . 1 1 55 55 PHE N N 55 118.386 118.386 118.234 0.152 25868 795 1 2 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.276 0.260 25868 796 1 2 . 1 1 55 55 PHE C C 55 178.571 178.571 177.634 0.937 25868 797 1 2 . 1 1 55 55 PHE CA C 55 59.487 59.487 60.185 -0.698 25868 798 1 2 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.515 0.642 25868 799 1 2 . 1 1 55 55 PHE H H 55 9.061 9.061 7.887 1.174 25868 800 1 2 . 1 1 56 56 TYR N N 56 119.488 119.488 120.993 -1.505 25868 801 1 2 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.925 0.426 25868 802 1 2 . 1 1 56 56 TYR C C 56 178.871 178.871 176.938 1.933 25868 803 1 2 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.951 -1.457 25868 804 1 2 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.252 -0.449 25868 805 1 2 . 1 1 56 56 TYR H H 56 8.975 8.975 7.891 1.084 25868 806 1 2 . 1 1 57 57 LYS N N 57 121.083 121.083 117.546 3.537 25868 807 1 2 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.560 -0.097 25868 808 1 2 . 1 1 57 57 LYS C C 57 178.103 178.103 177.927 0.176 25868 809 1 2 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.655 0.190 25868 810 1 2 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.954 -0.229 25868 811 1 2 . 1 1 57 57 LYS H H 57 7.753 7.753 7.772 -0.019 25868 812 1 2 . 1 1 58 58 GLU N N 58 114.098 114.098 115.836 -1.738 25868 813 1 2 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.228 -0.071 25868 814 1 2 . 1 1 58 58 GLU C C 58 175.655 175.655 175.658 -0.003 25868 815 1 2 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.335 -1.201 25868 816 1 2 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.974 -0.334 25868 817 1 2 . 1 1 58 58 GLU H H 58 7.849 7.849 7.535 0.314 25868 818 1 2 . 1 1 59 59 HIS N N 59 115.781 115.781 112.817 2.964 25868 819 1 2 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.350 -0.140 25868 820 1 2 . 1 1 59 59 HIS C C 59 173.784 173.784 174.224 -0.440 25868 821 1 2 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.770 -0.359 25868 822 1 2 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.123 -1.285 25868 823 1 2 . 1 1 59 59 HIS H H 59 7.659 7.659 7.039 0.620 25868 824 1 2 . 1 1 60 60 ASP N N 60 118.780 118.780 120.251 -1.471 25868 825 1 2 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.696 0.163 25868 826 1 2 . 1 1 60 60 ASP C C 60 175.847 175.847 177.024 -1.177 25868 827 1 2 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.249 -1.446 25868 828 1 2 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.561 -0.430 25868 829 1 2 . 1 1 60 60 ASP H H 60 8.660 8.660 8.179 0.481 25868 830 1 2 . 1 1 61 61 THR N N 61 118.884 118.884 118.799 0.085 25868 831 1 2 . 1 1 61 61 THR HA H 61 3.763 3.763 4.011 -0.248 25868 832 1 2 . 1 1 61 61 THR C C 61 175.886 175.886 176.213 -0.327 25868 833 1 2 . 1 1 61 61 THR CA C 61 66.159 66.159 65.994 0.165 25868 834 1 2 . 1 1 61 61 THR CB C 61 68.168 68.168 68.708 -0.540 25868 835 1 2 . 1 1 61 61 THR H H 61 7.955 7.955 8.203 -0.248 25868 836 1 2 . 1 1 62 62 ASP N N 62 121.668 121.668 122.138 -0.470 25868 837 1 2 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.349 -0.087 25868 838 1 2 . 1 1 62 62 ASP C C 62 178.461 178.461 178.062 0.399 25868 839 1 2 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.579 -0.130 25868 840 1 2 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.489 0.447 25868 841 1 2 . 1 1 62 62 ASP H H 62 8.298 8.298 7.877 0.421 25868 842 1 2 . 1 1 63 63 GLY N N 63 109.003 109.003 107.300 1.703 25868 843 1 2 . 1 1 63 63 GLY C C 63 175.517 175.517 175.674 -0.157 25868 844 1 2 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.123 -0.064 25868 845 1 2 . 1 1 63 63 GLY H H 63 8.018 8.018 7.650 0.368 25868 846 1 2 . 1 1 64 64 LEU N N 64 122.504 122.504 122.708 -0.204 25868 847 1 2 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.277 -0.195 25868 848 1 2 . 1 1 64 64 LEU C C 64 177.333 177.333 178.384 -1.051 25868 849 1 2 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.445 1.048 25868 850 1 2 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.970 0.137 25868 851 1 2 . 1 1 64 64 LEU H H 64 8.073 8.073 7.878 0.195 25868 852 1 2 . 1 1 65 65 ARG N N 65 118.626 118.626 118.973 -0.347 25868 853 1 2 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.965 -0.073 25868 854 1 2 . 1 1 65 65 ARG C C 65 179.045 179.045 178.348 0.697 25868 855 1 2 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.584 0.272 25868 856 1 2 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.077 -0.142 25868 857 1 2 . 1 1 65 65 ARG H H 65 8.491 8.491 7.970 0.521 25868 858 1 2 . 1 1 66 66 ARG N N 66 119.009 119.009 118.853 0.156 25868 859 1 2 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.984 -0.017 25868 860 1 2 . 1 1 66 66 ARG C C 66 178.943 178.943 178.415 0.528 25868 861 1 2 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.311 0.902 25868 862 1 2 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.049 0.502 25868 863 1 2 . 1 1 66 66 ARG H H 66 7.601 7.601 7.908 -0.307 25868 864 1 2 . 1 1 67 67 ALA N N 67 122.174 122.174 121.190 0.984 25868 865 1 2 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.402 -0.225 25868 866 1 2 . 1 1 67 67 ALA C C 67 178.654 178.654 179.632 -0.978 25868 867 1 2 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.871 1.223 25868 868 1 2 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.467 -0.588 25868 869 1 2 . 1 1 67 67 ALA H H 67 8.681 8.681 8.139 0.542 25868 870 1 2 . 1 1 68 68 ALA N N 68 119.208 119.208 121.329 -2.121 25868 871 1 2 . 1 1 68 68 ALA HA H 68 3.951 3.951 3.982 -0.031 25868 872 1 2 . 1 1 68 68 ALA C C 68 179.562 179.562 179.227 0.335 25868 873 1 2 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.129 0.436 25868 874 1 2 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.158 -0.317 25868 875 1 2 . 1 1 68 68 ALA H H 68 9.060 9.060 7.968 1.092 25868 876 1 2 . 1 1 69 69 LYS N N 69 119.434 119.434 118.696 0.738 25868 877 1 2 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.014 -0.024 25868 878 1 2 . 1 1 69 69 LYS C C 69 178.929 178.929 178.705 0.224 25868 879 1 2 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.941 0.594 25868 880 1 2 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.007 0.103 25868 881 1 2 . 1 1 69 69 LYS H H 69 7.997 7.997 8.100 -0.103 25868 882 1 2 . 1 1 70 70 SER N N 70 116.406 116.406 115.185 1.221 25868 883 1 2 . 1 1 70 70 SER HA H 70 3.908 3.908 4.116 -0.208 25868 884 1 2 . 1 1 70 70 SER C C 70 175.957 175.957 176.787 -0.830 25868 885 1 2 . 1 1 70 70 SER CA C 70 62.776 62.776 60.578 2.198 25868 886 1 2 . 1 1 70 70 SER CB C 70 60.389 60.389 62.181 -1.792 25868 887 1 2 . 1 1 70 70 SER H H 70 8.105 8.105 7.566 0.539 25868 888 1 2 . 1 1 71 71 LEU N N 71 123.712 123.712 122.774 0.938 25868 889 1 2 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.312 -0.231 25868 890 1 2 . 1 1 71 71 LEU C C 71 176.893 176.893 178.225 -1.332 25868 891 1 2 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.432 0.545 25868 892 1 2 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.005 0.439 25868 893 1 2 . 1 1 71 71 LEU H H 71 8.315 8.315 7.910 0.405 25868 894 1 2 . 1 1 72 72 LYS N N 72 117.431 117.431 116.759 0.672 25868 895 1 2 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.018 -0.156 25868 896 1 2 . 1 1 72 72 LYS C C 72 179.617 179.617 178.882 0.735 25868 897 1 2 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.257 0.283 25868 898 1 2 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.852 0.138 25868 899 1 2 . 1 1 72 72 LYS H H 72 7.785 7.785 7.484 0.301 25868 900 1 2 . 1 1 73 73 GLU N N 73 117.402 117.402 119.304 -1.902 25868 901 1 2 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.185 -0.166 25868 902 1 2 . 1 1 73 73 GLU C C 73 178.475 178.475 179.064 -0.589 25868 903 1 2 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.382 0.263 25868 904 1 2 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.015 0.394 25868 905 1 2 . 1 1 73 73 GLU H H 73 7.920 7.920 7.692 0.228 25868 906 1 2 . 1 1 74 74 ALA N N 74 122.211 122.211 123.040 -0.829 25868 907 1 2 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.480 -0.161 25868 908 1 2 . 1 1 74 74 ALA C C 74 178.839 178.839 179.920 -1.081 25868 909 1 2 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.811 -0.433 25868 910 1 2 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.778 -1.248 25868 911 1 2 . 1 1 74 74 ALA H H 74 8.010 8.010 7.823 0.187 25868 912 1 2 . 1 1 75 75 ILE N N 75 113.486 113.486 118.936 -5.450 25868 913 1 2 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.758 -0.343 25868 914 1 2 . 1 1 75 75 ILE C C 75 177.333 177.333 178.324 -0.991 25868 915 1 2 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.689 1.125 25868 916 1 2 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.842 0.355 25868 917 1 2 . 1 1 75 75 ILE H H 75 7.405 7.405 7.681 -0.276 25868 918 1 2 . 1 1 76 76 THR N N 76 105.977 105.977 113.222 -7.245 25868 919 1 2 . 1 1 76 76 THR HA H 76 3.963 3.963 4.076 -0.113 25868 920 1 2 . 1 1 76 76 THR C C 76 174.609 174.609 175.102 -0.493 25868 921 1 2 . 1 1 76 76 THR CA C 76 63.773 63.773 64.634 -0.861 25868 922 1 2 . 1 1 76 76 THR CB C 76 68.757 68.757 68.531 0.226 25868 923 1 2 . 1 1 76 76 THR H H 76 7.217 7.217 7.784 -0.567 25868 924 1 2 . 1 1 77 77 ALA N N 77 122.534 122.534 122.559 -0.025 25868 925 1 2 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.576 -0.159 25868 926 1 2 . 1 1 77 77 ALA C C 77 177.085 177.085 177.341 -0.256 25868 927 1 2 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.126 0.502 25868 928 1 2 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.556 0.225 25868 929 1 2 . 1 1 77 77 ALA H H 77 7.486 7.486 7.465 0.021 25868 930 1 2 . 1 1 78 78 ILE N N 78 123.223 123.223 122.898 0.325 25868 931 1 2 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.270 -0.058 25868 932 1 2 . 1 1 78 78 ILE C C 78 174.939 174.939 174.434 0.505 25868 933 1 2 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.113 0.685 25868 934 1 2 . 1 1 78 78 ILE CB C 78 39.616 39.616 38.426 1.190 25868 935 1 2 . 1 1 78 78 ILE H H 78 7.428 7.428 7.264 0.164 25868 936 1 2 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.522 -0.084 25868 937 1 2 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.608 1.477 25868 938 1 2 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.675 -0.367 25868 939 1 2 . 1 1 83 83 GLY N N 83 105.726 105.726 109.830 -4.104 25868 940 1 2 . 1 1 83 83 GLY C C 83 175.765 175.765 175.339 0.426 25868 941 1 2 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.541 0.950 25868 942 1 2 . 1 1 83 83 GLY H H 83 7.613 7.613 8.682 -1.069 25868 943 1 2 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.076 -0.192 25868 944 1 2 . 1 1 84 84 ARG CA C 84 60.321 60.321 57.966 2.355 25868 945 1 2 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.751 1.076 25868 946 1 2 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.031 -0.047 25868 947 1 2 . 1 1 86 86 GLU C C 86 179.163 179.163 178.532 0.631 25868 948 1 2 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.854 0.342 25868 949 1 2 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.528 -0.600 25868 950 1 2 . 1 1 86 86 GLU H H 86 7.965 7.965 8.187 -0.222 25868 951 1 2 . 1 1 87 87 ALA N N 87 122.092 122.092 121.700 0.392 25868 952 1 2 . 1 1 87 87 ALA HA H 87 4.199 4.199 3.941 0.258 25868 953 1 2 . 1 1 87 87 ALA C C 87 178.980 178.980 179.465 -0.485 25868 954 1 2 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.787 -0.118 25868 955 1 2 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.214 0.199 25868 956 1 2 . 1 1 87 87 ALA H H 87 8.108 8.108 7.849 0.259 25868 957 1 2 . 1 1 88 88 LYS N N 88 118.808 118.808 118.505 0.303 25868 958 1 2 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.948 -0.055 25868 959 1 2 . 1 1 88 88 LYS C C 88 179.341 179.341 178.421 0.920 25868 960 1 2 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.646 0.357 25868 961 1 2 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.243 -0.017 25868 962 1 2 . 1 1 88 88 LYS H H 88 8.501 8.501 7.763 0.738 25868 963 1 2 . 1 1 89 89 GLU N N 89 119.454 119.454 119.612 -0.158 25868 964 1 2 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.001 -0.006 25868 965 1 2 . 1 1 89 89 GLU C C 89 179.017 179.017 178.795 0.222 25868 966 1 2 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.868 0.075 25868 967 1 2 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.016 -0.184 25868 968 1 2 . 1 1 89 89 GLU H H 89 7.544 7.544 7.602 -0.058 25868 969 1 2 . 1 1 90 90 MET N N 90 119.262 119.262 117.823 1.439 25868 970 1 2 . 1 1 90 90 MET HA H 90 3.284 3.284 3.638 -0.354 25868 971 1 2 . 1 1 90 90 MET C C 90 177.003 177.003 178.219 -1.216 25868 972 1 2 . 1 1 90 90 MET CA C 90 59.168 59.168 58.347 0.821 25868 973 1 2 . 1 1 90 90 MET CB C 90 33.468 33.468 31.671 1.797 25868 974 1 2 . 1 1 90 90 MET H H 90 7.600 7.600 7.405 0.195 25868 975 1 2 . 1 1 91 91 ALA N N 91 120.041 120.041 122.524 -2.483 25868 976 1 2 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.971 -0.103 25868 977 1 2 . 1 1 91 91 ALA C C 91 179.039 179.039 179.092 -0.053 25868 978 1 2 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.206 -0.177 25868 979 1 2 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.050 0.034 25868 980 1 2 . 1 1 91 91 ALA H H 91 8.212 8.212 7.842 0.370 25868 981 1 2 . 1 1 92 92 LYS N N 92 118.442 118.442 117.835 0.607 25868 982 1 2 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.865 0.057 25868 983 1 2 . 1 1 92 92 LYS C C 92 178.874 178.874 178.967 -0.093 25868 984 1 2 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.409 -0.288 25868 985 1 2 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.993 0.250 25868 986 1 2 . 1 1 92 92 LYS H H 92 7.819 7.819 7.487 0.332 25868 987 1 2 . 1 1 93 93 LYS N N 93 119.228 119.228 118.562 0.666 25868 988 1 2 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.677 -0.100 25868 989 1 2 . 1 1 93 93 LYS C C 93 176.618 176.618 178.015 -1.397 25868 990 1 2 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.340 -0.214 25868 991 1 2 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.561 -0.416 25868 992 1 2 . 1 1 93 93 LYS H H 93 7.449 7.449 7.653 -0.204 25868 993 1 2 . 1 1 94 94 ALA N N 94 117.825 117.825 121.318 -3.493 25868 994 1 2 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.813 -0.032 25868 995 1 2 . 1 1 94 94 ALA C C 94 178.736 178.736 179.538 -0.802 25868 996 1 2 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.003 -0.125 25868 997 1 2 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.207 -0.964 25868 998 1 2 . 1 1 94 94 ALA H H 94 7.698 7.698 7.623 0.075 25868 999 1 2 . 1 1 95 95 GLU N N 95 115.361 115.361 118.669 -3.308 25868 1000 1 2 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.992 -0.083 25868 1001 1 2 . 1 1 95 95 GLU C C 95 178.984 178.984 179.226 -0.242 25868 1002 1 2 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.205 0.175 25868 1003 1 2 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.005 0.471 25868 1004 1 2 . 1 1 95 95 GLU H H 95 7.907 7.907 7.990 -0.083 25868 1005 1 2 . 1 1 96 96 GLU N N 96 121.608 121.608 119.528 2.080 25868 1006 1 2 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.041 -0.092 25868 1007 1 2 . 1 1 96 96 GLU C C 96 180.249 180.249 179.432 0.817 25868 1008 1 2 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.157 0.040 25868 1009 1 2 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.134 -0.254 25868 1010 1 2 . 1 1 96 96 GLU H H 96 7.815 7.815 7.717 0.098 25868 1011 1 2 . 1 1 97 97 TRP N N 97 122.511 122.511 119.349 3.162 25868 1012 1 2 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.464 -0.066 25868 1013 1 2 . 1 1 97 97 TRP C C 97 178.007 178.007 178.925 -0.918 25868 1014 1 2 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.720 -0.984 25868 1015 1 2 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.253 -0.275 25868 1016 1 2 . 1 1 97 97 TRP H H 97 8.069 8.069 8.113 -0.044 25868 1017 1 2 . 1 1 98 98 LEU N N 98 119.235 119.235 120.829 -1.594 25868 1018 1 2 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.072 0.011 25868 1019 1 2 . 1 1 98 98 LEU C C 98 178.599 178.599 179.059 -0.460 25868 1020 1 2 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.236 -0.582 25868 1021 1 2 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.818 0.147 25868 1022 1 2 . 1 1 98 98 LEU H H 98 8.077 8.077 7.753 0.324 25868 1023 1 2 . 1 1 99 99 GLN N N 99 117.609 117.609 116.364 1.245 25868 1024 1 2 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.178 -0.062 25868 1025 1 2 . 1 1 99 99 GLN C C 99 177.636 177.636 178.682 -1.046 25868 1026 1 2 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.780 -0.060 25868 1027 1 2 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.237 0.009 25868 1028 1 2 . 1 1 99 99 GLN H H 99 8.077 8.077 8.261 -0.184 25868 1029 1 2 . 1 1 100 100 ALA N N 100 122.106 122.106 122.927 -0.821 25868 1030 1 2 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.190 0.115 25868 1031 1 2 . 1 1 100 100 ALA C C 100 179.424 179.424 178.688 0.736 25868 1032 1 2 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.816 -0.763 25868 1033 1 2 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.716 -0.164 25868 1034 1 2 . 1 1 100 100 ALA H H 100 7.944 7.944 7.874 0.070 25868 1035 1 2 . 1 1 101 101 GLU N N 101 117.817 117.817 115.761 2.056 25868 1036 1 2 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.373 -0.017 25868 1037 1 2 . 1 1 101 101 GLU C C 101 177.415 177.415 176.869 0.546 25868 1038 1 2 . 1 1 101 101 GLU CA C 101 57.013 57.013 56.738 0.275 25868 1039 1 2 . 1 1 101 101 GLU CB C 101 30.399 30.399 29.852 0.547 25868 1040 1 2 . 1 1 101 101 GLU H H 101 8.162 8.162 7.911 0.251 25868 1041 1 2 . 1 1 102 102 GLN N N 102 118.194 118.194 119.379 -1.185 25868 1042 1 2 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.426 -0.092 25868 1043 1 2 . 1 1 102 102 GLN C C 102 175.755 175.755 175.800 -0.045 25868 1044 1 2 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.320 1.007 25868 1045 1 2 . 1 1 102 102 GLN CB C 102 29.294 29.294 29.175 0.119 25868 1046 1 2 . 1 1 102 102 GLN H H 102 8.094 8.094 7.322 0.772 25868 1047 1 2 . 1 1 103 103 ASN N N 103 119.032 119.032 121.634 -2.602 25868 1048 1 2 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.551 0.239 25868 1049 1 2 . 1 1 103 103 ASN C C 103 173.949 173.949 175.860 -1.911 25868 1050 1 2 . 1 1 103 103 ASN CA C 103 53.029 53.029 54.244 -1.215 25868 1051 1 2 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.585 0.465 25868 1052 1 2 . 1 1 103 103 ASN H H 103 8.149 8.149 8.529 -0.380 25868 1053 1 3 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.492 0.082 25868 1054 1 3 . 1 1 2 2 ASP C C 2 176.630 176.630 175.142 1.488 25868 1055 1 3 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.606 0.436 25868 1056 1 3 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.713 0.188 25868 1057 1 3 . 1 1 3 3 GLU N N 3 121.683 121.683 123.825 -2.142 25868 1058 1 3 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.157 0.023 25868 1059 1 3 . 1 1 3 3 GLU CA C 3 57.896 57.896 56.676 1.220 25868 1060 1 3 . 1 1 3 3 GLU CB C 3 29.407 29.407 30.787 -1.380 25868 1061 1 3 . 1 1 3 3 GLU H H 3 8.889 8.889 8.530 0.359 25868 1062 1 3 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.332 0.113 25868 1063 1 3 . 1 1 4 4 ASN C C 4 176.095 176.095 177.248 -1.153 25868 1064 1 3 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.338 -0.693 25868 1065 1 3 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.017 -0.211 25868 1066 1 3 . 1 1 5 5 ILE N N 5 119.355 119.355 119.716 -0.361 25868 1067 1 3 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.817 0.060 25868 1068 1 3 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.227 -1.145 25868 1069 1 3 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.868 -0.177 25868 1070 1 3 . 1 1 5 5 ILE H H 5 8.018 8.018 8.187 -0.169 25868 1071 1 3 . 1 1 6 6 ALA N N 6 123.430 123.430 120.959 2.471 25868 1072 1 3 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.055 0.194 25868 1073 1 3 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.243 -1.072 25868 1074 1 3 . 1 1 6 6 ALA CB C 6 18.244 18.244 17.996 0.248 25868 1075 1 3 . 1 1 6 6 ALA H H 6 8.041 8.041 7.714 0.327 25868 1076 1 3 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.957 0.073 25868 1077 1 3 . 1 1 7 7 LYS C C 7 178.778 178.778 178.811 -0.033 25868 1078 1 3 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.049 -0.295 25868 1079 1 3 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.852 0.161 25868 1080 1 3 . 1 1 8 8 PHE N N 8 120.439 120.439 118.149 2.290 25868 1081 1 3 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.422 0.252 25868 1082 1 3 . 1 1 8 8 PHE C C 8 177.470 177.470 178.090 -0.620 25868 1083 1 3 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.801 -0.646 25868 1084 1 3 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.209 1.067 25868 1085 1 3 . 1 1 8 8 PHE H H 8 7.908 7.908 7.077 0.831 25868 1086 1 3 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.234 -0.105 25868 1087 1 3 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.047 0.065 25868 1088 1 3 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.247 0.547 25868 1089 1 3 . 1 1 11 11 ALA N N 11 122.712 122.712 119.980 2.732 25868 1090 1 3 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.212 -0.006 25868 1091 1 3 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.428 0.741 25868 1092 1 3 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.241 -0.981 25868 1093 1 3 . 1 1 11 11 ALA H H 11 7.945 7.945 7.650 0.295 25868 1094 1 3 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.526 -0.405 25868 1095 1 3 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.686 1.480 25868 1096 1 3 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.043 -2.043 25868 1097 1 3 . 1 1 13 13 LYS N N 13 120.452 120.452 116.576 3.876 25868 1098 1 3 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.026 0.014 25868 1099 1 3 . 1 1 13 13 LYS CA C 13 57.813 57.813 57.734 0.079 25868 1100 1 3 . 1 1 13 13 LYS CB C 13 32.327 32.327 32.516 -0.189 25868 1101 1 3 . 1 1 13 13 LYS H H 13 8.017 8.017 8.927 -0.910 25868 1102 1 3 . 1 1 14 14 LYS HA H 14 4.154 4.154 3.899 0.255 25868 1103 1 3 . 1 1 14 14 LYS CA C 14 57.675 57.675 58.010 -0.334 25868 1104 1 3 . 1 1 14 14 LYS CB C 14 32.196 32.196 31.854 0.342 25868 1105 1 3 . 1 1 14 14 LYS H H 14 8.011 8.011 8.684 -0.673 25868 1106 1 3 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.522 -0.250 25868 1107 1 3 . 1 1 15 15 ALA C C 15 179.056 179.056 179.210 -0.154 25868 1108 1 3 . 1 1 15 15 ALA CA C 15 53.971 53.971 53.893 0.078 25868 1109 1 3 . 1 1 15 15 ALA CB C 15 18.684 18.684 18.759 -0.075 25868 1110 1 3 . 1 1 16 16 GLU N N 16 120.136 120.136 118.393 1.743 25868 1111 1 3 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.110 0.105 25868 1112 1 3 . 1 1 16 16 GLU C C 16 179.176 179.176 177.824 1.352 25868 1113 1 3 . 1 1 16 16 GLU CA C 16 58.499 58.499 58.234 0.265 25868 1114 1 3 . 1 1 16 16 GLU CB C 16 29.915 29.915 28.526 1.389 25868 1115 1 3 . 1 1 16 16 GLU H H 16 8.599 8.599 8.737 -0.138 25868 1116 1 3 . 1 1 17 17 GLU N N 17 120.683 120.683 119.193 1.490 25868 1117 1 3 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.113 -0.039 25868 1118 1 3 . 1 1 17 17 GLU CA C 17 58.104 58.104 58.466 -0.362 25868 1119 1 3 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.736 -0.018 25868 1120 1 3 . 1 1 17 17 GLU H H 17 8.009 8.009 8.000 0.009 25868 1121 1 3 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.429 -0.099 25868 1122 1 3 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.590 -0.092 25868 1123 1 3 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.958 -1.988 25868 1124 1 3 . 1 1 18 18 LEU H H 18 7.614 7.614 7.515 0.099 25868 1125 1 3 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.471 -0.062 25868 1126 1 3 . 1 1 19 19 ASN C C 19 174.609 174.609 173.910 0.699 25868 1127 1 3 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.932 -0.256 25868 1128 1 3 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.391 0.434 25868 1129 1 3 . 1 1 20 20 GLN N N 20 118.736 118.736 119.647 -0.911 25868 1130 1 3 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.424 0.036 25868 1131 1 3 . 1 1 20 20 GLN C C 20 176.659 176.659 176.095 0.564 25868 1132 1 3 . 1 1 20 20 GLN CA C 20 54.688 54.688 54.767 -0.079 25868 1133 1 3 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.977 -1.813 25868 1134 1 3 . 1 1 20 20 GLN H H 20 8.340 8.340 7.971 0.369 25868 1135 1 3 . 1 1 21 21 GLY N N 21 111.864 111.864 109.690 2.174 25868 1136 1 3 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.537 0.516 25868 1137 1 3 . 1 1 21 21 GLY H H 21 8.455 8.455 8.329 0.126 25868 1138 1 3 . 1 1 23 23 LEU HA H 23 4.263 4.263 3.955 0.308 25868 1139 1 3 . 1 1 23 23 LEU C C 23 179.620 179.620 177.907 1.713 25868 1140 1 3 . 1 1 23 23 LEU CA C 23 56.394 56.394 57.517 -1.123 25868 1141 1 3 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.193 -0.642 25868 1142 1 3 . 1 1 24 24 MET N N 24 120.657 120.657 116.574 4.083 25868 1143 1 3 . 1 1 24 24 MET HA H 24 4.077 4.077 4.168 -0.091 25868 1144 1 3 . 1 1 24 24 MET CB C 24 34.035 34.035 31.896 2.139 25868 1145 1 3 . 1 1 24 24 MET H H 24 8.219 8.219 7.408 0.811 25868 1146 1 3 . 1 1 25 25 GLY N N 25 106.956 106.956 106.723 0.233 25868 1147 1 3 . 1 1 25 25 GLY C C 25 175.016 175.016 176.078 -1.062 25868 1148 1 3 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.312 1.459 25868 1149 1 3 . 1 1 25 25 GLY H H 25 8.589 8.589 8.182 0.407 25868 1150 1 3 . 1 1 26 26 ARG N N 26 119.970 119.970 122.242 -2.272 25868 1151 1 3 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.233 -0.017 25868 1152 1 3 . 1 1 26 26 ARG C C 26 177.966 177.966 178.089 -0.123 25868 1153 1 3 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.192 0.535 25868 1154 1 3 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.171 0.092 25868 1155 1 3 . 1 1 26 26 ARG H H 26 8.297 8.297 7.977 0.320 25868 1156 1 3 . 1 1 27 27 ALA N N 27 121.499 121.499 121.779 -0.280 25868 1157 1 3 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.079 0.185 25868 1158 1 3 . 1 1 27 27 ALA C C 27 179.878 179.878 179.631 0.247 25868 1159 1 3 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.756 0.944 25868 1160 1 3 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.012 0.311 25868 1161 1 3 . 1 1 27 27 ALA H H 27 7.816 7.816 8.410 -0.594 25868 1162 1 3 . 1 1 28 28 LEU N N 28 117.285 117.285 119.037 -1.752 25868 1163 1 3 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.049 -0.022 25868 1164 1 3 . 1 1 28 28 LEU C C 28 178.158 178.158 179.132 -0.974 25868 1165 1 3 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.352 0.742 25868 1166 1 3 . 1 1 28 28 LEU CB C 28 42.254 42.254 42.055 0.199 25868 1167 1 3 . 1 1 28 28 LEU H H 28 8.066 8.066 7.932 0.134 25868 1168 1 3 . 1 1 29 29 TYR N N 29 119.594 119.594 120.647 -1.053 25868 1169 1 3 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.274 -0.280 25868 1170 1 3 . 1 1 29 29 TYR C C 29 176.382 176.382 177.633 -1.251 25868 1171 1 3 . 1 1 29 29 TYR CA C 29 62.667 62.667 62.068 0.599 25868 1172 1 3 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.538 0.372 25868 1173 1 3 . 1 1 29 29 TYR H H 29 8.568 8.568 8.382 0.186 25868 1174 1 3 . 1 1 30 30 ASN N N 30 116.978 116.978 117.093 -0.115 25868 1175 1 3 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.162 0.099 25868 1176 1 3 . 1 1 30 30 ASN C C 30 178.521 178.521 177.387 1.134 25868 1177 1 3 . 1 1 30 30 ASN CA C 30 55.924 55.924 55.988 -0.064 25868 1178 1 3 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.035 -1.571 25868 1179 1 3 . 1 1 30 30 ASN H H 30 8.290 8.290 7.923 0.367 25868 1180 1 3 . 1 1 31 31 ILE N N 31 122.107 122.107 120.685 1.422 25868 1181 1 3 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.634 -0.277 25868 1182 1 3 . 1 1 31 31 ILE C C 31 178.007 178.007 177.468 0.539 25868 1183 1 3 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.381 0.816 25868 1184 1 3 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.247 0.439 25868 1185 1 3 . 1 1 31 31 ILE H H 31 8.006 8.006 7.664 0.342 25868 1186 1 3 . 1 1 32 32 GLY N N 32 107.810 107.810 107.947 -0.137 25868 1187 1 3 . 1 1 32 32 GLY C C 32 175.187 175.187 175.615 -0.428 25868 1188 1 3 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.738 1.782 25868 1189 1 3 . 1 1 32 32 GLY H H 32 7.880 7.880 7.944 -0.064 25868 1190 1 3 . 1 1 33 33 LEU N N 33 120.587 120.587 121.860 -1.273 25868 1191 1 3 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.971 0.085 25868 1192 1 3 . 1 1 33 33 LEU C C 33 180.635 180.635 179.263 1.372 25868 1193 1 3 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.609 0.542 25868 1194 1 3 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.498 0.179 25868 1195 1 3 . 1 1 33 33 LEU H H 33 8.117 8.117 7.637 0.480 25868 1196 1 3 . 1 1 34 34 GLU N N 34 120.332 120.332 119.107 1.225 25868 1197 1 3 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.040 -0.067 25868 1198 1 3 . 1 1 34 34 GLU C C 34 179.479 179.479 179.335 0.144 25868 1199 1 3 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.200 -0.338 25868 1200 1 3 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.041 0.110 25868 1201 1 3 . 1 1 34 34 GLU H H 34 7.763 7.763 7.741 0.022 25868 1202 1 3 . 1 1 35 35 LYS N N 35 118.642 118.642 118.616 0.026 25868 1203 1 3 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.005 -0.092 25868 1204 1 3 . 1 1 35 35 LYS C C 35 179.149 179.149 178.874 0.275 25868 1205 1 3 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.813 -0.971 25868 1206 1 3 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.905 -1.191 25868 1207 1 3 . 1 1 35 35 LYS H H 35 8.573 8.573 8.076 0.497 25868 1208 1 3 . 1 1 36 36 ASN N N 36 119.047 119.047 117.045 2.002 25868 1209 1 3 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.494 -0.186 25868 1210 1 3 . 1 1 36 36 ASN C C 36 179.782 179.782 177.138 2.644 25868 1211 1 3 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.568 0.091 25868 1212 1 3 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.408 -0.216 25868 1213 1 3 . 1 1 36 36 ASN H H 36 8.348 8.348 8.187 0.161 25868 1214 1 3 . 1 1 37 37 LYS N N 37 121.477 121.477 119.604 1.873 25868 1215 1 3 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.144 -0.060 25868 1216 1 3 . 1 1 37 37 LYS C C 37 177.938 177.938 178.461 -0.523 25868 1217 1 3 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.664 0.626 25868 1218 1 3 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.505 -0.296 25868 1219 1 3 . 1 1 37 37 LYS H H 37 7.956 7.956 7.766 0.190 25868 1220 1 3 . 1 1 38 38 MET N N 38 114.976 114.976 115.331 -0.355 25868 1221 1 3 . 1 1 38 38 MET HA H 38 4.519 4.519 4.451 0.068 25868 1222 1 3 . 1 1 38 38 MET C C 38 175.847 175.847 176.261 -0.414 25868 1223 1 3 . 1 1 38 38 MET CA C 38 55.264 55.264 55.682 -0.418 25868 1224 1 3 . 1 1 38 38 MET CB C 38 33.388 33.388 33.162 0.226 25868 1225 1 3 . 1 1 38 38 MET H H 38 7.394 7.394 7.656 -0.262 25868 1226 1 3 . 1 1 39 39 GLY N N 39 107.575 107.575 106.411 1.164 25868 1227 1 3 . 1 1 39 39 GLY C C 39 174.994 174.994 175.244 -0.250 25868 1228 1 3 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.258 0.493 25868 1229 1 3 . 1 1 39 39 GLY H H 39 7.906 7.906 7.604 0.302 25868 1230 1 3 . 1 1 40 40 LYS N N 40 122.563 122.563 122.613 -0.050 25868 1231 1 3 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.309 0.427 25868 1232 1 3 . 1 1 40 40 LYS C C 40 175.847 175.847 175.682 0.165 25868 1233 1 3 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.070 -1.690 25868 1234 1 3 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.514 -0.092 25868 1235 1 3 . 1 1 40 40 LYS H H 40 7.958 7.958 8.207 -0.249 25868 1236 1 3 . 1 1 41 41 ALA N N 41 123.662 123.662 123.400 0.262 25868 1237 1 3 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.127 0.008 25868 1238 1 3 . 1 1 41 41 ALA C C 41 178.736 178.736 178.745 -0.009 25868 1239 1 3 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.901 0.828 25868 1240 1 3 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.816 1.150 25868 1241 1 3 . 1 1 41 41 ALA H H 41 7.487 7.487 7.992 -0.505 25868 1242 1 3 . 1 1 42 42 ARG N N 42 118.612 118.612 118.931 -0.319 25868 1243 1 3 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.073 -0.073 25868 1244 1 3 . 1 1 42 42 ARG C C 42 178.901 178.901 178.211 0.690 25868 1245 1 3 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.040 -0.243 25868 1246 1 3 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.446 -0.572 25868 1247 1 3 . 1 1 42 42 ARG H H 42 8.864 8.864 8.632 0.232 25868 1248 1 3 . 1 1 43 43 GLU N N 43 120.194 120.194 117.977 2.217 25868 1249 1 3 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.073 0.050 25868 1250 1 3 . 1 1 43 43 GLU C C 43 178.901 178.901 178.531 0.370 25868 1251 1 3 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.249 0.189 25868 1252 1 3 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.399 0.535 25868 1253 1 3 . 1 1 43 43 GLU H H 43 8.062 8.062 8.642 -0.580 25868 1254 1 3 . 1 1 44 44 ALA N N 44 121.369 121.369 122.344 -0.975 25868 1255 1 3 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.848 -0.275 25868 1256 1 3 . 1 1 44 44 ALA C C 44 177.911 177.911 178.915 -1.004 25868 1257 1 3 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.069 0.693 25868 1258 1 3 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.266 0.282 25868 1259 1 3 . 1 1 44 44 ALA H H 44 8.627 8.627 8.201 0.426 25868 1260 1 3 . 1 1 45 45 ALA N N 45 117.108 117.108 120.102 -2.994 25868 1261 1 3 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.155 -0.070 25868 1262 1 3 . 1 1 45 45 ALA C C 45 178.078 178.078 179.598 -1.520 25868 1263 1 3 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.423 0.152 25868 1264 1 3 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.145 -0.705 25868 1265 1 3 . 1 1 45 45 ALA H H 45 8.310 8.310 7.811 0.499 25868 1266 1 3 . 1 1 46 46 GLU N N 46 115.941 115.941 119.037 -3.096 25868 1267 1 3 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.064 -0.145 25868 1268 1 3 . 1 1 46 46 GLU C C 46 179.341 179.341 179.142 0.199 25868 1269 1 3 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.575 0.182 25868 1270 1 3 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.085 0.052 25868 1271 1 3 . 1 1 46 46 GLU H H 46 7.451 7.451 7.879 -0.428 25868 1272 1 3 . 1 1 47 47 TYR N N 47 117.925 117.925 119.044 -1.119 25868 1273 1 3 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.236 -0.391 25868 1274 1 3 . 1 1 47 47 TYR C C 47 178.544 178.544 178.754 -0.210 25868 1275 1 3 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.323 3.341 25868 1276 1 3 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.011 -0.697 25868 1277 1 3 . 1 1 47 47 TYR H H 47 7.746 7.746 7.474 0.272 25868 1278 1 3 . 1 1 48 48 PHE N N 48 118.758 118.758 118.318 0.440 25868 1279 1 3 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.412 0.336 25868 1280 1 3 . 1 1 48 48 PHE C C 48 178.227 178.227 178.015 0.212 25868 1281 1 3 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.429 -0.876 25868 1282 1 3 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.338 -0.189 25868 1283 1 3 . 1 1 48 48 PHE H H 48 9.054 9.054 8.381 0.673 25868 1284 1 3 . 1 1 49 49 PHE N N 49 120.234 120.234 121.725 -1.491 25868 1285 1 3 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.306 0.192 25868 1286 1 3 . 1 1 49 49 PHE C C 49 176.645 176.645 177.214 -0.569 25868 1287 1 3 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.540 -0.319 25868 1288 1 3 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.206 1.083 25868 1289 1 3 . 1 1 49 49 PHE H H 49 8.981 8.981 7.971 1.010 25868 1290 1 3 . 1 1 50 50 ARG N N 50 117.925 117.925 118.470 -0.545 25868 1291 1 3 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.892 -0.112 25868 1292 1 3 . 1 1 50 50 ARG C C 50 179.369 179.369 178.765 0.604 25868 1293 1 3 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.376 0.453 25868 1294 1 3 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.923 0.600 25868 1295 1 3 . 1 1 50 50 ARG H H 50 8.450 8.450 8.451 -0.001 25868 1296 1 3 . 1 1 51 51 ALA N N 51 120.897 120.897 121.947 -1.050 25868 1297 1 3 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.208 -0.492 25868 1298 1 3 . 1 1 51 51 ALA C C 51 177.085 177.085 179.049 -1.964 25868 1299 1 3 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.932 0.166 25868 1300 1 3 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.694 -1.428 25868 1301 1 3 . 1 1 51 51 ALA H H 51 8.697 8.697 7.899 0.798 25868 1302 1 3 . 1 1 52 52 ALA N N 52 120.007 120.007 121.530 -1.523 25868 1303 1 3 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.358 -0.289 25868 1304 1 3 . 1 1 52 52 ALA C C 52 178.067 178.067 179.837 -1.770 25868 1305 1 3 . 1 1 52 52 ALA CA C 52 56.108 56.108 54.979 1.129 25868 1306 1 3 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.652 -1.399 25868 1307 1 3 . 1 1 52 52 ALA H H 52 8.483 8.483 7.867 0.617 25868 1308 1 3 . 1 1 53 53 ILE N N 53 116.864 116.864 118.270 -1.406 25868 1309 1 3 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.177 0.006 25868 1310 1 3 . 1 1 53 53 ILE C C 53 178.323 178.323 177.555 0.768 25868 1311 1 3 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.277 0.488 25868 1312 1 3 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.552 0.924 25868 1313 1 3 . 1 1 53 53 ILE H H 53 8.033 8.033 7.979 0.054 25868 1314 1 3 . 1 1 54 54 VAL N N 54 119.604 119.604 119.957 -0.353 25868 1315 1 3 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.435 0.056 25868 1316 1 3 . 1 1 54 54 VAL C C 54 178.200 178.200 177.928 0.272 25868 1317 1 3 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.224 0.152 25868 1318 1 3 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.250 0.158 25868 1319 1 3 . 1 1 54 54 VAL H H 54 7.126 7.126 7.278 -0.152 25868 1320 1 3 . 1 1 55 55 PHE N N 55 118.386 118.386 117.327 1.059 25868 1321 1 3 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.183 0.353 25868 1322 1 3 . 1 1 55 55 PHE C C 55 178.571 178.571 177.684 0.887 25868 1323 1 3 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.080 -1.593 25868 1324 1 3 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.933 0.224 25868 1325 1 3 . 1 1 55 55 PHE H H 55 9.061 9.061 7.383 1.678 25868 1326 1 3 . 1 1 56 56 TYR N N 56 119.488 119.488 121.242 -1.754 25868 1327 1 3 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.920 0.431 25868 1328 1 3 . 1 1 56 56 TYR C C 56 178.871 178.871 177.023 1.848 25868 1329 1 3 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.341 -1.847 25868 1330 1 3 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.023 -0.220 25868 1331 1 3 . 1 1 56 56 TYR H H 56 8.975 8.975 8.036 0.939 25868 1332 1 3 . 1 1 57 57 LYS N N 57 121.083 121.083 118.432 2.651 25868 1333 1 3 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.554 -0.091 25868 1334 1 3 . 1 1 57 57 LYS C C 57 178.103 178.103 178.361 -0.258 25868 1335 1 3 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.327 0.519 25868 1336 1 3 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.955 -0.230 25868 1337 1 3 . 1 1 57 57 LYS H H 57 7.753 7.753 7.561 0.192 25868 1338 1 3 . 1 1 58 58 GLU N N 58 114.098 114.098 115.530 -1.432 25868 1339 1 3 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.282 -0.125 25868 1340 1 3 . 1 1 58 58 GLU C C 58 175.655 175.655 175.749 -0.094 25868 1341 1 3 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.967 -0.833 25868 1342 1 3 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.546 0.094 25868 1343 1 3 . 1 1 58 58 GLU H H 58 7.849 7.849 7.637 0.212 25868 1344 1 3 . 1 1 59 59 HIS N N 59 115.781 115.781 113.225 2.556 25868 1345 1 3 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.302 -0.092 25868 1346 1 3 . 1 1 59 59 HIS C C 59 173.784 173.784 174.298 -0.514 25868 1347 1 3 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.213 -0.802 25868 1348 1 3 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.359 -1.521 25868 1349 1 3 . 1 1 59 59 HIS H H 59 7.659 7.659 7.177 0.482 25868 1350 1 3 . 1 1 60 60 ASP N N 60 118.780 118.780 119.972 -1.192 25868 1351 1 3 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.766 0.093 25868 1352 1 3 . 1 1 60 60 ASP C C 60 175.847 175.847 177.038 -1.191 25868 1353 1 3 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.568 -1.765 25868 1354 1 3 . 1 1 60 60 ASP CB C 60 40.131 40.131 41.236 -1.105 25868 1355 1 3 . 1 1 60 60 ASP H H 60 8.660 8.660 8.057 0.603 25868 1356 1 3 . 1 1 61 61 THR N N 61 118.884 118.884 119.144 -0.260 25868 1357 1 3 . 1 1 61 61 THR HA H 61 3.763 3.763 4.074 -0.310 25868 1358 1 3 . 1 1 61 61 THR C C 61 175.886 175.886 176.406 -0.520 25868 1359 1 3 . 1 1 61 61 THR CA C 61 66.159 66.159 65.813 0.346 25868 1360 1 3 . 1 1 61 61 THR CB C 61 68.168 68.168 68.753 -0.585 25868 1361 1 3 . 1 1 61 61 THR H H 61 7.955 7.955 8.367 -0.412 25868 1362 1 3 . 1 1 62 62 ASP N N 62 121.668 121.668 122.064 -0.396 25868 1363 1 3 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.386 -0.124 25868 1364 1 3 . 1 1 62 62 ASP C C 62 178.461 178.461 178.109 0.352 25868 1365 1 3 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.458 -0.009 25868 1366 1 3 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.534 0.401 25868 1367 1 3 . 1 1 62 62 ASP H H 62 8.298 8.298 8.185 0.113 25868 1368 1 3 . 1 1 63 63 GLY N N 63 109.003 109.003 107.068 1.935 25868 1369 1 3 . 1 1 63 63 GLY C C 63 175.517 175.517 175.802 -0.285 25868 1370 1 3 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.214 -0.155 25868 1371 1 3 . 1 1 63 63 GLY H H 63 8.018 8.018 8.178 -0.160 25868 1372 1 3 . 1 1 64 64 LEU N N 64 122.504 122.504 123.027 -0.523 25868 1373 1 3 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.248 -0.166 25868 1374 1 3 . 1 1 64 64 LEU C C 64 177.333 177.333 178.328 -0.995 25868 1375 1 3 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.530 0.963 25868 1376 1 3 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.952 0.155 25868 1377 1 3 . 1 1 64 64 LEU H H 64 8.073 8.073 7.696 0.377 25868 1378 1 3 . 1 1 65 65 ARG N N 65 118.626 118.626 118.624 0.002 25868 1379 1 3 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.935 -0.043 25868 1380 1 3 . 1 1 65 65 ARG C C 65 179.045 179.045 178.453 0.592 25868 1381 1 3 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.700 0.154 25868 1382 1 3 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.061 -0.126 25868 1383 1 3 . 1 1 65 65 ARG H H 65 8.491 8.491 8.010 0.481 25868 1384 1 3 . 1 1 66 66 ARG N N 66 119.009 119.009 119.477 -0.468 25868 1385 1 3 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.947 0.020 25868 1386 1 3 . 1 1 66 66 ARG C C 66 178.943 178.943 178.102 0.841 25868 1387 1 3 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.368 -0.155 25868 1388 1 3 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.898 -0.347 25868 1389 1 3 . 1 1 66 66 ARG H H 66 7.601 7.601 8.047 -0.446 25868 1390 1 3 . 1 1 67 67 ALA N N 67 122.174 122.174 120.281 1.893 25868 1391 1 3 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.422 -0.245 25868 1392 1 3 . 1 1 67 67 ALA C C 67 178.654 178.654 179.591 -0.937 25868 1393 1 3 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.624 1.470 25868 1394 1 3 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.411 -0.532 25868 1395 1 3 . 1 1 67 67 ALA H H 67 8.681 8.681 7.922 0.759 25868 1396 1 3 . 1 1 68 68 ALA N N 68 119.208 119.208 122.134 -2.926 25868 1397 1 3 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.004 -0.053 25868 1398 1 3 . 1 1 68 68 ALA C C 68 179.562 179.562 179.488 0.074 25868 1399 1 3 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.076 0.489 25868 1400 1 3 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.415 -0.574 25868 1401 1 3 . 1 1 68 68 ALA H H 68 9.060 9.060 8.124 0.936 25868 1402 1 3 . 1 1 69 69 LYS N N 69 119.434 119.434 118.706 0.728 25868 1403 1 3 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.961 0.029 25868 1404 1 3 . 1 1 69 69 LYS C C 69 178.929 178.929 178.891 0.038 25868 1405 1 3 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.532 0.003 25868 1406 1 3 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.298 -0.188 25868 1407 1 3 . 1 1 69 69 LYS H H 69 7.997 7.997 8.209 -0.212 25868 1408 1 3 . 1 1 70 70 SER N N 70 116.406 116.406 114.427 1.979 25868 1409 1 3 . 1 1 70 70 SER HA H 70 3.908 3.908 4.054 -0.146 25868 1410 1 3 . 1 1 70 70 SER C C 70 175.957 175.957 176.143 -0.186 25868 1411 1 3 . 1 1 70 70 SER CA C 70 62.776 62.776 60.271 2.505 25868 1412 1 3 . 1 1 70 70 SER CB C 70 60.389 60.389 62.106 -1.717 25868 1413 1 3 . 1 1 70 70 SER H H 70 8.105 8.105 7.665 0.440 25868 1414 1 3 . 1 1 71 71 LEU N N 71 123.712 123.712 123.301 0.411 25868 1415 1 3 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.143 -0.062 25868 1416 1 3 . 1 1 71 71 LEU C C 71 176.893 176.893 178.348 -1.455 25868 1417 1 3 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.013 0.964 25868 1418 1 3 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.880 0.564 25868 1419 1 3 . 1 1 71 71 LEU H H 71 8.315 8.315 7.941 0.374 25868 1420 1 3 . 1 1 72 72 LYS N N 72 117.431 117.431 118.769 -1.338 25868 1421 1 3 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.922 -0.060 25868 1422 1 3 . 1 1 72 72 LYS C C 72 179.617 179.617 179.052 0.565 25868 1423 1 3 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.386 0.154 25868 1424 1 3 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.086 -0.096 25868 1425 1 3 . 1 1 72 72 LYS H H 72 7.785 7.785 7.635 0.150 25868 1426 1 3 . 1 1 73 73 GLU N N 73 117.402 117.402 118.143 -0.741 25868 1427 1 3 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.187 -0.168 25868 1428 1 3 . 1 1 73 73 GLU C C 73 178.475 178.475 177.980 0.495 25868 1429 1 3 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.648 -0.002 25868 1430 1 3 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.475 -0.066 25868 1431 1 3 . 1 1 73 73 GLU H H 73 7.920 7.920 8.158 -0.238 25868 1432 1 3 . 1 1 74 74 ALA N N 74 122.211 122.211 120.897 1.314 25868 1433 1 3 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.214 0.105 25868 1434 1 3 . 1 1 74 74 ALA C C 74 178.839 178.839 179.081 -0.242 25868 1435 1 3 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.566 -0.188 25868 1436 1 3 . 1 1 74 74 ALA CB C 74 17.530 17.530 19.207 -1.677 25868 1437 1 3 . 1 1 74 74 ALA H H 74 8.010 8.010 7.576 0.434 25868 1438 1 3 . 1 1 75 75 ILE N N 75 113.486 113.486 117.662 -4.176 25868 1439 1 3 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.837 -0.422 25868 1440 1 3 . 1 1 75 75 ILE C C 75 177.333 177.333 178.668 -1.335 25868 1441 1 3 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.188 2.626 25868 1442 1 3 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.075 1.122 25868 1443 1 3 . 1 1 75 75 ILE H H 75 7.405 7.405 7.837 -0.432 25868 1444 1 3 . 1 1 76 76 THR N N 76 105.977 105.977 111.254 -5.277 25868 1445 1 3 . 1 1 76 76 THR HA H 76 3.963 3.963 4.128 -0.165 25868 1446 1 3 . 1 1 76 76 THR C C 76 174.609 174.609 174.890 -0.281 25868 1447 1 3 . 1 1 76 76 THR CA C 76 63.773 63.773 64.290 -0.517 25868 1448 1 3 . 1 1 76 76 THR CB C 76 68.757 68.757 68.473 0.284 25868 1449 1 3 . 1 1 76 76 THR H H 76 7.217 7.217 7.847 -0.630 25868 1450 1 3 . 1 1 77 77 ALA N N 77 122.534 122.534 123.680 -1.146 25868 1451 1 3 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.555 -0.138 25868 1452 1 3 . 1 1 77 77 ALA C C 77 177.085 177.085 177.363 -0.278 25868 1453 1 3 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.239 0.389 25868 1454 1 3 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.439 0.342 25868 1455 1 3 . 1 1 77 77 ALA H H 77 7.486 7.486 7.072 0.414 25868 1456 1 3 . 1 1 78 78 ILE N N 78 123.223 123.223 123.234 -0.011 25868 1457 1 3 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.048 0.164 25868 1458 1 3 . 1 1 78 78 ILE C C 78 174.939 174.939 174.050 0.889 25868 1459 1 3 . 1 1 78 78 ILE CA C 78 59.798 59.798 60.392 -0.594 25868 1460 1 3 . 1 1 78 78 ILE CB C 78 39.616 39.616 38.134 1.482 25868 1461 1 3 . 1 1 78 78 ILE H H 78 7.428 7.428 7.251 0.177 25868 1462 1 3 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.462 -0.024 25868 1463 1 3 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.312 0.773 25868 1464 1 3 . 1 1 79 79 PRO CB C 79 32.309 32.309 31.947 0.362 25868 1465 1 3 . 1 1 83 83 GLY N N 83 105.726 105.726 112.681 -6.955 25868 1466 1 3 . 1 1 83 83 GLY C C 83 175.765 175.765 175.866 -0.101 25868 1467 1 3 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.874 0.617 25868 1468 1 3 . 1 1 83 83 GLY H H 83 7.613 7.613 8.646 -1.032 25868 1469 1 3 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.998 -0.114 25868 1470 1 3 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.519 1.802 25868 1471 1 3 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.676 1.151 25868 1472 1 3 . 1 1 86 86 GLU HA H 86 3.984 3.984 3.984 -0.000 25868 1473 1 3 . 1 1 86 86 GLU C C 86 179.163 179.163 178.772 0.391 25868 1474 1 3 . 1 1 86 86 GLU CA C 86 59.196 59.196 59.039 0.157 25868 1475 1 3 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.789 0.139 25868 1476 1 3 . 1 1 86 86 GLU H H 86 7.965 7.965 8.289 -0.324 25868 1477 1 3 . 1 1 87 87 ALA N N 87 122.092 122.092 121.674 0.418 25868 1478 1 3 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.029 0.170 25868 1479 1 3 . 1 1 87 87 ALA C C 87 178.980 178.980 179.105 -0.125 25868 1480 1 3 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.185 0.484 25868 1481 1 3 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.587 -0.174 25868 1482 1 3 . 1 1 87 87 ALA H H 87 8.108 8.108 7.824 0.284 25868 1483 1 3 . 1 1 88 88 LYS N N 88 118.808 118.808 119.464 -0.656 25868 1484 1 3 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.994 -0.101 25868 1485 1 3 . 1 1 88 88 LYS C C 88 179.341 179.341 178.936 0.405 25868 1486 1 3 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.947 1.056 25868 1487 1 3 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.055 0.171 25868 1488 1 3 . 1 1 88 88 LYS H H 88 8.501 8.501 7.502 0.999 25868 1489 1 3 . 1 1 89 89 GLU N N 89 119.454 119.454 118.500 0.954 25868 1490 1 3 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.978 0.017 25868 1491 1 3 . 1 1 89 89 GLU C C 89 179.017 179.017 179.028 -0.011 25868 1492 1 3 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.881 0.062 25868 1493 1 3 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.885 -0.053 25868 1494 1 3 . 1 1 89 89 GLU H H 89 7.544 7.544 7.759 -0.215 25868 1495 1 3 . 1 1 90 90 MET N N 90 119.262 119.262 117.887 1.375 25868 1496 1 3 . 1 1 90 90 MET HA H 90 3.284 3.284 3.637 -0.353 25868 1497 1 3 . 1 1 90 90 MET C C 90 177.003 177.003 177.998 -0.995 25868 1498 1 3 . 1 1 90 90 MET CA C 90 59.168 59.168 58.371 0.797 25868 1499 1 3 . 1 1 90 90 MET CB C 90 33.468 33.468 31.616 1.852 25868 1500 1 3 . 1 1 90 90 MET H H 90 7.600 7.600 7.195 0.405 25868 1501 1 3 . 1 1 91 91 ALA N N 91 120.041 120.041 122.249 -2.208 25868 1502 1 3 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.986 -0.118 25868 1503 1 3 . 1 1 91 91 ALA C C 91 179.039 179.039 179.304 -0.265 25868 1504 1 3 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.019 0.011 25868 1505 1 3 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.095 -0.011 25868 1506 1 3 . 1 1 91 91 ALA H H 91 8.212 8.212 7.782 0.430 25868 1507 1 3 . 1 1 92 92 LYS N N 92 118.442 118.442 118.518 -0.076 25868 1508 1 3 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.878 0.044 25868 1509 1 3 . 1 1 92 92 LYS C C 92 178.874 178.874 178.991 -0.117 25868 1510 1 3 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.419 -0.298 25868 1511 1 3 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.085 0.158 25868 1512 1 3 . 1 1 92 92 LYS H H 92 7.819 7.819 7.542 0.277 25868 1513 1 3 . 1 1 93 93 LYS N N 93 119.228 119.228 119.151 0.077 25868 1514 1 3 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.914 -0.337 25868 1515 1 3 . 1 1 93 93 LYS C C 93 176.618 176.618 178.346 -1.728 25868 1516 1 3 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.451 -0.325 25868 1517 1 3 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.866 -0.721 25868 1518 1 3 . 1 1 93 93 LYS H H 93 7.449 7.449 7.289 0.160 25868 1519 1 3 . 1 1 94 94 ALA N N 94 117.825 117.825 120.279 -2.454 25868 1520 1 3 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.618 0.163 25868 1521 1 3 . 1 1 94 94 ALA C C 94 178.736 178.736 179.318 -0.582 25868 1522 1 3 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.213 -0.335 25868 1523 1 3 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.132 -0.889 25868 1524 1 3 . 1 1 94 94 ALA H H 94 7.698 7.698 7.865 -0.167 25868 1525 1 3 . 1 1 95 95 GLU N N 95 115.361 115.361 118.848 -3.487 25868 1526 1 3 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.052 -0.143 25868 1527 1 3 . 1 1 95 95 GLU C C 95 178.984 178.984 178.966 0.018 25868 1528 1 3 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.303 0.077 25868 1529 1 3 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.489 -0.013 25868 1530 1 3 . 1 1 95 95 GLU H H 95 7.907 7.907 7.698 0.209 25868 1531 1 3 . 1 1 96 96 GLU N N 96 121.608 121.608 119.722 1.886 25868 1532 1 3 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.343 -0.394 25868 1533 1 3 . 1 1 96 96 GLU C C 96 180.249 180.249 179.354 0.895 25868 1534 1 3 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.811 0.386 25868 1535 1 3 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.540 -0.660 25868 1536 1 3 . 1 1 96 96 GLU H H 96 7.815 7.815 7.865 -0.050 25868 1537 1 3 . 1 1 97 97 TRP N N 97 122.511 122.511 119.988 2.523 25868 1538 1 3 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.377 0.021 25868 1539 1 3 . 1 1 97 97 TRP C C 97 178.007 178.007 178.573 -0.566 25868 1540 1 3 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.975 -1.239 25868 1541 1 3 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.351 -0.373 25868 1542 1 3 . 1 1 97 97 TRP H H 97 8.069 8.069 8.237 -0.168 25868 1543 1 3 . 1 1 98 98 LEU N N 98 119.235 119.235 120.802 -1.567 25868 1544 1 3 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.029 0.054 25868 1545 1 3 . 1 1 98 98 LEU C C 98 178.599 178.599 178.943 -0.344 25868 1546 1 3 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.400 -0.746 25868 1547 1 3 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.709 0.256 25868 1548 1 3 . 1 1 98 98 LEU H H 98 8.077 8.077 7.786 0.291 25868 1549 1 3 . 1 1 99 99 GLN N N 99 117.609 117.609 117.681 -0.072 25868 1550 1 3 . 1 1 99 99 GLN HA H 99 4.116 4.116 3.973 0.143 25868 1551 1 3 . 1 1 99 99 GLN C C 99 177.636 177.636 177.860 -0.224 25868 1552 1 3 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.781 -1.061 25868 1553 1 3 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.680 -0.434 25868 1554 1 3 . 1 1 99 99 GLN H H 99 8.077 8.077 7.758 0.319 25868 1555 1 3 . 1 1 100 100 ALA N N 100 122.106 122.106 119.724 2.382 25868 1556 1 3 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.216 0.089 25868 1557 1 3 . 1 1 100 100 ALA C C 100 179.424 179.424 179.622 -0.198 25868 1558 1 3 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.284 -0.231 25868 1559 1 3 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.048 -0.495 25868 1560 1 3 . 1 1 100 100 ALA H H 100 7.944 7.944 7.751 0.193 25868 1561 1 3 . 1 1 101 101 GLU N N 101 117.817 117.817 117.582 0.235 25868 1562 1 3 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.334 0.022 25868 1563 1 3 . 1 1 101 101 GLU C C 101 177.415 177.415 178.036 -0.621 25868 1564 1 3 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.849 -0.835 25868 1565 1 3 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.182 0.217 25868 1566 1 3 . 1 1 101 101 GLU H H 101 8.162 8.162 8.125 0.037 25868 1567 1 3 . 1 1 102 102 GLN N N 102 118.194 118.194 120.013 -1.819 25868 1568 1 3 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.376 -0.042 25868 1569 1 3 . 1 1 102 102 GLN C C 102 175.755 175.755 175.157 0.598 25868 1570 1 3 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.370 0.957 25868 1571 1 3 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.457 1.837 25868 1572 1 3 . 1 1 102 102 GLN H H 102 8.094 8.094 7.741 0.353 25868 1573 1 3 . 1 1 103 103 ASN N N 103 119.032 119.032 123.195 -4.163 25868 1574 1 3 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.705 0.085 25868 1575 1 3 . 1 1 103 103 ASN C C 103 173.949 173.949 175.265 -1.316 25868 1576 1 3 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.345 -0.316 25868 1577 1 3 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.481 0.569 25868 1578 1 3 . 1 1 103 103 ASN H H 103 8.149 8.149 8.061 0.088 25868 1579 1 4 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.539 0.035 25868 1580 1 4 . 1 1 2 2 ASP C C 2 176.630 176.630 175.999 0.631 25868 1581 1 4 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.223 0.819 25868 1582 1 4 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.701 0.200 25868 1583 1 4 . 1 1 3 3 GLU N N 3 121.683 121.683 123.832 -2.149 25868 1584 1 4 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.195 -0.015 25868 1585 1 4 . 1 1 3 3 GLU CA C 3 57.896 57.896 57.741 0.155 25868 1586 1 4 . 1 1 3 3 GLU CB C 3 29.407 29.407 30.049 -0.641 25868 1587 1 4 . 1 1 3 3 GLU H H 3 8.889 8.889 8.169 0.720 25868 1588 1 4 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.217 0.228 25868 1589 1 4 . 1 1 4 4 ASN C C 4 176.095 176.095 177.432 -1.337 25868 1590 1 4 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.879 -1.234 25868 1591 1 4 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.383 0.423 25868 1592 1 4 . 1 1 5 5 ILE N N 5 119.355 119.355 119.931 -0.576 25868 1593 1 4 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.769 0.108 25868 1594 1 4 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.566 -1.485 25868 1595 1 4 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.927 -0.236 25868 1596 1 4 . 1 1 5 5 ILE H H 5 8.018 8.018 8.043 -0.025 25868 1597 1 4 . 1 1 6 6 ALA N N 6 123.430 123.430 121.032 2.398 25868 1598 1 4 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.398 -0.149 25868 1599 1 4 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.651 -0.480 25868 1600 1 4 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.056 0.188 25868 1601 1 4 . 1 1 6 6 ALA H H 6 8.041 8.041 8.117 -0.076 25868 1602 1 4 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.017 0.013 25868 1603 1 4 . 1 1 7 7 LYS C C 7 178.778 178.778 178.905 -0.127 25868 1604 1 4 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.736 0.018 25868 1605 1 4 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.105 -0.092 25868 1606 1 4 . 1 1 8 8 PHE N N 8 120.439 120.439 117.660 2.779 25868 1607 1 4 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.427 0.247 25868 1608 1 4 . 1 1 8 8 PHE C C 8 177.470 177.470 178.190 -0.720 25868 1609 1 4 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.459 -0.304 25868 1610 1 4 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.172 1.103 25868 1611 1 4 . 1 1 8 8 PHE H H 8 7.908 7.908 7.807 0.101 25868 1612 1 4 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.093 0.036 25868 1613 1 4 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.979 0.133 25868 1614 1 4 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.343 0.451 25868 1615 1 4 . 1 1 11 11 ALA N N 11 122.712 122.712 120.884 1.828 25868 1616 1 4 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.257 -0.051 25868 1617 1 4 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.272 0.898 25868 1618 1 4 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.430 -1.169 25868 1619 1 4 . 1 1 11 11 ALA H H 11 7.945 7.945 7.603 0.342 25868 1620 1 4 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.473 -0.352 25868 1621 1 4 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.110 1.056 25868 1622 1 4 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.878 0.122 25868 1623 1 4 . 1 1 13 13 LYS N N 13 120.452 120.452 127.765 -7.313 25868 1624 1 4 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.498 -0.458 25868 1625 1 4 . 1 1 13 13 LYS CA C 13 57.813 57.813 55.674 2.139 25868 1626 1 4 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.796 -1.469 25868 1627 1 4 . 1 1 13 13 LYS H H 13 8.017 8.017 8.430 -0.413 25868 1628 1 4 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.191 -0.037 25868 1629 1 4 . 1 1 14 14 LYS CA C 14 57.675 57.675 57.689 -0.014 25868 1630 1 4 . 1 1 14 14 LYS CB C 14 32.196 32.196 32.139 0.057 25868 1631 1 4 . 1 1 14 14 LYS H H 14 8.011 8.011 8.673 -0.662 25868 1632 1 4 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.541 -0.269 25868 1633 1 4 . 1 1 15 15 ALA C C 15 179.056 179.056 175.928 3.128 25868 1634 1 4 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.038 1.933 25868 1635 1 4 . 1 1 15 15 ALA CB C 15 18.684 18.684 20.448 -1.764 25868 1636 1 4 . 1 1 16 16 GLU N N 16 120.136 120.136 121.168 -1.032 25868 1637 1 4 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.517 -0.302 25868 1638 1 4 . 1 1 16 16 GLU C C 16 179.176 179.176 175.771 3.405 25868 1639 1 4 . 1 1 16 16 GLU CA C 16 58.499 58.499 56.153 2.346 25868 1640 1 4 . 1 1 16 16 GLU CB C 16 29.915 29.915 30.408 -0.493 25868 1641 1 4 . 1 1 16 16 GLU H H 16 8.599 8.599 8.711 -0.112 25868 1642 1 4 . 1 1 17 17 GLU N N 17 120.683 120.683 119.471 1.212 25868 1643 1 4 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.433 -0.359 25868 1644 1 4 . 1 1 17 17 GLU CA C 17 58.104 58.104 55.420 2.684 25868 1645 1 4 . 1 1 17 17 GLU CB C 17 29.718 29.718 31.416 -1.698 25868 1646 1 4 . 1 1 17 17 GLU H H 17 8.009 8.009 7.719 0.290 25868 1647 1 4 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.083 0.247 25868 1648 1 4 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.508 -0.010 25868 1649 1 4 . 1 1 18 18 LEU CB C 18 41.969 41.969 42.010 -0.041 25868 1650 1 4 . 1 1 18 18 LEU H H 18 7.614 7.614 8.348 -0.734 25868 1651 1 4 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.745 -0.336 25868 1652 1 4 . 1 1 19 19 ASN C C 19 174.609 174.609 174.176 0.433 25868 1653 1 4 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.414 0.262 25868 1654 1 4 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.122 -0.297 25868 1655 1 4 . 1 1 20 20 GLN N N 20 118.736 118.736 122.073 -3.337 25868 1656 1 4 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.627 -0.167 25868 1657 1 4 . 1 1 20 20 GLN C C 20 176.659 176.659 173.519 3.140 25868 1658 1 4 . 1 1 20 20 GLN CA C 20 54.688 54.688 54.701 -0.013 25868 1659 1 4 . 1 1 20 20 GLN CB C 20 28.164 28.164 32.008 -3.844 25868 1660 1 4 . 1 1 20 20 GLN H H 20 8.340 8.340 7.820 0.520 25868 1661 1 4 . 1 1 21 21 GLY N N 21 111.864 111.864 106.477 5.387 25868 1662 1 4 . 1 1 21 21 GLY CA C 21 47.053 47.053 45.300 1.753 25868 1663 1 4 . 1 1 21 21 GLY H H 21 8.455 8.455 8.055 0.400 25868 1664 1 4 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.007 0.256 25868 1665 1 4 . 1 1 23 23 LEU C C 23 179.620 179.620 176.785 2.835 25868 1666 1 4 . 1 1 23 23 LEU CA C 23 56.394 56.394 57.058 -0.664 25868 1667 1 4 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.896 -0.345 25868 1668 1 4 . 1 1 24 24 MET N N 24 120.657 120.657 112.789 7.868 25868 1669 1 4 . 1 1 24 24 MET HA H 24 4.077 4.077 4.131 -0.054 25868 1670 1 4 . 1 1 24 24 MET CB C 24 34.035 34.035 33.559 0.477 25868 1671 1 4 . 1 1 24 24 MET H H 24 8.219 8.219 7.352 0.867 25868 1672 1 4 . 1 1 25 25 GLY N N 25 106.956 106.956 109.096 -2.140 25868 1673 1 4 . 1 1 25 25 GLY C C 25 175.016 175.016 175.267 -0.251 25868 1674 1 4 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.530 1.241 25868 1675 1 4 . 1 1 25 25 GLY H H 25 8.589 8.589 8.549 0.040 25868 1676 1 4 . 1 1 26 26 ARG N N 26 119.970 119.970 123.332 -3.362 25868 1677 1 4 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.312 -0.096 25868 1678 1 4 . 1 1 26 26 ARG C C 26 177.966 177.966 177.733 0.233 25868 1679 1 4 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.466 0.261 25868 1680 1 4 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.319 -0.056 25868 1681 1 4 . 1 1 26 26 ARG H H 26 8.297 8.297 7.709 0.588 25868 1682 1 4 . 1 1 27 27 ALA N N 27 121.499 121.499 120.695 0.804 25868 1683 1 4 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.392 -0.128 25868 1684 1 4 . 1 1 27 27 ALA C C 27 179.878 179.878 179.600 0.278 25868 1685 1 4 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.429 1.270 25868 1686 1 4 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.251 0.072 25868 1687 1 4 . 1 1 27 27 ALA H H 27 7.816 7.816 8.397 -0.581 25868 1688 1 4 . 1 1 28 28 LEU N N 28 117.285 117.285 119.997 -2.712 25868 1689 1 4 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.036 -0.009 25868 1690 1 4 . 1 1 28 28 LEU C C 28 178.158 178.158 178.704 -0.546 25868 1691 1 4 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.703 0.391 25868 1692 1 4 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.953 0.301 25868 1693 1 4 . 1 1 28 28 LEU H H 28 8.066 8.066 7.694 0.372 25868 1694 1 4 . 1 1 29 29 TYR N N 29 119.594 119.594 120.444 -0.850 25868 1695 1 4 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.354 -0.360 25868 1696 1 4 . 1 1 29 29 TYR C C 29 176.382 176.382 177.688 -1.306 25868 1697 1 4 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.831 0.836 25868 1698 1 4 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.429 0.481 25868 1699 1 4 . 1 1 29 29 TYR H H 29 8.568 8.568 8.537 0.031 25868 1700 1 4 . 1 1 30 30 ASN N N 30 116.978 116.978 117.604 -0.626 25868 1701 1 4 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.045 0.216 25868 1702 1 4 . 1 1 30 30 ASN C C 30 178.521 178.521 177.400 1.121 25868 1703 1 4 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.141 -0.217 25868 1704 1 4 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.834 -1.371 25868 1705 1 4 . 1 1 30 30 ASN H H 30 8.290 8.290 7.808 0.482 25868 1706 1 4 . 1 1 31 31 ILE N N 31 122.107 122.107 120.321 1.786 25868 1707 1 4 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.665 -0.308 25868 1708 1 4 . 1 1 31 31 ILE C C 31 178.007 178.007 177.567 0.440 25868 1709 1 4 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.049 1.148 25868 1710 1 4 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.319 0.367 25868 1711 1 4 . 1 1 31 31 ILE H H 31 8.006 8.006 8.004 0.002 25868 1712 1 4 . 1 1 32 32 GLY N N 32 107.810 107.810 107.960 -0.150 25868 1713 1 4 . 1 1 32 32 GLY C C 32 175.187 175.187 175.778 -0.591 25868 1714 1 4 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.886 1.634 25868 1715 1 4 . 1 1 32 32 GLY H H 32 7.880 7.880 8.019 -0.139 25868 1716 1 4 . 1 1 33 33 LEU N N 33 120.587 120.587 121.722 -1.135 25868 1717 1 4 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.035 0.021 25868 1718 1 4 . 1 1 33 33 LEU C C 33 180.635 180.635 179.469 1.166 25868 1719 1 4 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.774 0.377 25868 1720 1 4 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.609 0.068 25868 1721 1 4 . 1 1 33 33 LEU H H 33 8.117 8.117 7.825 0.292 25868 1722 1 4 . 1 1 34 34 GLU N N 34 120.332 120.332 118.439 1.893 25868 1723 1 4 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.170 -0.197 25868 1724 1 4 . 1 1 34 34 GLU C C 34 179.479 179.479 179.280 0.199 25868 1725 1 4 . 1 1 34 34 GLU CA C 34 58.862 58.862 58.741 0.121 25868 1726 1 4 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.069 0.082 25868 1727 1 4 . 1 1 34 34 GLU H H 34 7.763 7.763 7.627 0.136 25868 1728 1 4 . 1 1 35 35 LYS N N 35 118.642 118.642 119.439 -0.797 25868 1729 1 4 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.034 -0.121 25868 1730 1 4 . 1 1 35 35 LYS C C 35 179.149 179.149 178.803 0.346 25868 1731 1 4 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.710 -0.868 25868 1732 1 4 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.911 -1.197 25868 1733 1 4 . 1 1 35 35 LYS H H 35 8.573 8.573 8.289 0.284 25868 1734 1 4 . 1 1 36 36 ASN N N 36 119.047 119.047 116.273 2.774 25868 1735 1 4 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.482 -0.174 25868 1736 1 4 . 1 1 36 36 ASN C C 36 179.782 179.782 176.891 2.891 25868 1737 1 4 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.741 -0.082 25868 1738 1 4 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.384 -0.192 25868 1739 1 4 . 1 1 36 36 ASN H H 36 8.348 8.348 8.163 0.185 25868 1740 1 4 . 1 1 37 37 LYS N N 37 121.477 121.477 118.587 2.890 25868 1741 1 4 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.142 -0.058 25868 1742 1 4 . 1 1 37 37 LYS C C 37 177.938 177.938 178.224 -0.286 25868 1743 1 4 . 1 1 37 37 LYS CA C 37 59.290 59.290 57.668 1.622 25868 1744 1 4 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.006 0.203 25868 1745 1 4 . 1 1 37 37 LYS H H 37 7.956 7.956 7.285 0.671 25868 1746 1 4 . 1 1 38 38 MET N N 38 114.976 114.976 116.420 -1.444 25868 1747 1 4 . 1 1 38 38 MET HA H 38 4.519 4.519 4.420 0.099 25868 1748 1 4 . 1 1 38 38 MET C C 38 175.847 175.847 176.853 -1.006 25868 1749 1 4 . 1 1 38 38 MET CA C 38 55.264 55.264 56.288 -1.024 25868 1750 1 4 . 1 1 38 38 MET CB C 38 33.388 33.388 32.858 0.530 25868 1751 1 4 . 1 1 38 38 MET H H 38 7.394 7.394 7.779 -0.385 25868 1752 1 4 . 1 1 39 39 GLY N N 39 107.575 107.575 106.666 0.909 25868 1753 1 4 . 1 1 39 39 GLY C C 39 174.994 174.994 174.775 0.219 25868 1754 1 4 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.060 0.691 25868 1755 1 4 . 1 1 39 39 GLY H H 39 7.906 7.906 7.432 0.474 25868 1756 1 4 . 1 1 40 40 LYS N N 40 122.563 122.563 122.536 0.027 25868 1757 1 4 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.411 0.325 25868 1758 1 4 . 1 1 40 40 LYS C C 40 175.847 175.847 175.515 0.332 25868 1759 1 4 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.861 -1.482 25868 1760 1 4 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.690 -0.268 25868 1761 1 4 . 1 1 40 40 LYS H H 40 7.958 7.958 8.154 -0.196 25868 1762 1 4 . 1 1 41 41 ALA N N 41 123.662 123.662 123.966 -0.304 25868 1763 1 4 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.152 -0.017 25868 1764 1 4 . 1 1 41 41 ALA C C 41 178.736 178.736 178.563 0.173 25868 1765 1 4 . 1 1 41 41 ALA CA C 41 55.729 55.729 55.026 0.703 25868 1766 1 4 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.933 1.033 25868 1767 1 4 . 1 1 41 41 ALA H H 41 7.487 7.487 7.890 -0.403 25868 1768 1 4 . 1 1 42 42 ARG N N 42 118.612 118.612 118.811 -0.199 25868 1769 1 4 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.011 -0.011 25868 1770 1 4 . 1 1 42 42 ARG C C 42 178.901 178.901 177.753 1.148 25868 1771 1 4 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.193 -0.396 25868 1772 1 4 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.721 -0.847 25868 1773 1 4 . 1 1 42 42 ARG H H 42 8.864 8.864 8.674 0.190 25868 1774 1 4 . 1 1 43 43 GLU N N 43 120.194 120.194 120.565 -0.371 25868 1775 1 4 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.941 0.182 25868 1776 1 4 . 1 1 43 43 GLU C C 43 178.901 178.901 178.360 0.541 25868 1777 1 4 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.429 0.009 25868 1778 1 4 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.052 0.882 25868 1779 1 4 . 1 1 43 43 GLU H H 43 8.062 8.062 8.416 -0.354 25868 1780 1 4 . 1 1 44 44 ALA N N 44 121.369 121.369 122.305 -0.936 25868 1781 1 4 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.719 -0.146 25868 1782 1 4 . 1 1 44 44 ALA C C 44 177.911 177.911 178.921 -1.010 25868 1783 1 4 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.086 0.676 25868 1784 1 4 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.139 0.409 25868 1785 1 4 . 1 1 44 44 ALA H H 44 8.627 8.627 8.141 0.486 25868 1786 1 4 . 1 1 45 45 ALA N N 45 117.108 117.108 120.532 -3.424 25868 1787 1 4 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.179 -0.094 25868 1788 1 4 . 1 1 45 45 ALA C C 45 178.078 178.078 179.872 -1.794 25868 1789 1 4 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.089 0.487 25868 1790 1 4 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.390 -0.950 25868 1791 1 4 . 1 1 45 45 ALA H H 45 8.310 8.310 7.741 0.569 25868 1792 1 4 . 1 1 46 46 GLU N N 46 115.941 115.941 118.979 -3.038 25868 1793 1 4 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.110 -0.191 25868 1794 1 4 . 1 1 46 46 GLU C C 46 179.341 179.341 179.268 0.073 25868 1795 1 4 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.044 0.713 25868 1796 1 4 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.629 -0.492 25868 1797 1 4 . 1 1 46 46 GLU H H 46 7.451 7.451 7.587 -0.136 25868 1798 1 4 . 1 1 47 47 TYR N N 47 117.925 117.925 119.511 -1.586 25868 1799 1 4 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.319 -0.474 25868 1800 1 4 . 1 1 47 47 TYR C C 47 178.544 178.544 178.451 0.093 25868 1801 1 4 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.210 3.454 25868 1802 1 4 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.169 -0.855 25868 1803 1 4 . 1 1 47 47 TYR H H 47 7.746 7.746 7.778 -0.032 25868 1804 1 4 . 1 1 48 48 PHE N N 48 118.758 118.758 118.902 -0.144 25868 1805 1 4 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.481 0.267 25868 1806 1 4 . 1 1 48 48 PHE C C 48 178.227 178.227 177.992 0.235 25868 1807 1 4 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.908 -0.355 25868 1808 1 4 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.220 -0.071 25868 1809 1 4 . 1 1 48 48 PHE H H 48 9.054 9.054 8.522 0.532 25868 1810 1 4 . 1 1 49 49 PHE N N 49 120.234 120.234 121.885 -1.651 25868 1811 1 4 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.302 0.196 25868 1812 1 4 . 1 1 49 49 PHE C C 49 176.645 176.645 177.256 -0.611 25868 1813 1 4 . 1 1 49 49 PHE CA C 49 61.221 61.221 62.077 -0.856 25868 1814 1 4 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.275 1.014 25868 1815 1 4 . 1 1 49 49 PHE H H 49 8.981 8.981 8.277 0.704 25868 1816 1 4 . 1 1 50 50 ARG N N 50 117.925 117.925 118.194 -0.269 25868 1817 1 4 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.949 -0.169 25868 1818 1 4 . 1 1 50 50 ARG C C 50 179.369 179.369 178.692 0.677 25868 1819 1 4 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.241 0.588 25868 1820 1 4 . 1 1 50 50 ARG CB C 50 30.523 30.523 30.025 0.498 25868 1821 1 4 . 1 1 50 50 ARG H H 50 8.450 8.450 8.408 0.042 25868 1822 1 4 . 1 1 51 51 ALA N N 51 120.897 120.897 122.171 -1.274 25868 1823 1 4 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.263 -0.547 25868 1824 1 4 . 1 1 51 51 ALA C C 51 177.085 177.085 179.330 -2.245 25868 1825 1 4 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.987 0.111 25868 1826 1 4 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.478 -1.212 25868 1827 1 4 . 1 1 51 51 ALA H H 51 8.697 8.697 7.946 0.751 25868 1828 1 4 . 1 1 52 52 ALA N N 52 120.007 120.007 121.257 -1.250 25868 1829 1 4 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.316 -0.247 25868 1830 1 4 . 1 1 52 52 ALA C C 52 178.067 178.067 179.751 -1.684 25868 1831 1 4 . 1 1 52 52 ALA CA C 52 56.108 56.108 54.962 1.146 25868 1832 1 4 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.616 -1.363 25868 1833 1 4 . 1 1 52 52 ALA H H 52 8.483 8.483 7.859 0.624 25868 1834 1 4 . 1 1 53 53 ILE N N 53 116.864 116.864 118.859 -1.995 25868 1835 1 4 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.087 0.096 25868 1836 1 4 . 1 1 53 53 ILE C C 53 178.323 178.323 177.555 0.768 25868 1837 1 4 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.121 0.644 25868 1838 1 4 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.309 1.167 25868 1839 1 4 . 1 1 53 53 ILE H H 53 8.033 8.033 8.022 0.011 25868 1840 1 4 . 1 1 54 54 VAL N N 54 119.604 119.604 119.989 -0.385 25868 1841 1 4 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.522 -0.031 25868 1842 1 4 . 1 1 54 54 VAL C C 54 178.200 178.200 178.389 -0.189 25868 1843 1 4 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.922 0.453 25868 1844 1 4 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.807 0.601 25868 1845 1 4 . 1 1 54 54 VAL H H 54 7.126 7.126 7.361 -0.235 25868 1846 1 4 . 1 1 55 55 PHE N N 55 118.386 118.386 117.863 0.523 25868 1847 1 4 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.236 0.300 25868 1848 1 4 . 1 1 55 55 PHE C C 55 178.571 178.571 178.005 0.566 25868 1849 1 4 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.057 -1.570 25868 1850 1 4 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.789 0.368 25868 1851 1 4 . 1 1 55 55 PHE H H 55 9.061 9.061 7.602 1.459 25868 1852 1 4 . 1 1 56 56 TYR N N 56 119.488 119.488 120.798 -1.310 25868 1853 1 4 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.859 0.492 25868 1854 1 4 . 1 1 56 56 TYR C C 56 178.871 178.871 177.054 1.817 25868 1855 1 4 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.282 -1.788 25868 1856 1 4 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.070 -0.267 25868 1857 1 4 . 1 1 56 56 TYR H H 56 8.975 8.975 7.947 1.028 25868 1858 1 4 . 1 1 57 57 LYS N N 57 121.083 121.083 117.870 3.213 25868 1859 1 4 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.635 -0.172 25868 1860 1 4 . 1 1 57 57 LYS C C 57 178.103 178.103 177.722 0.381 25868 1861 1 4 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.624 0.221 25868 1862 1 4 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.107 -0.382 25868 1863 1 4 . 1 1 57 57 LYS H H 57 7.753 7.753 7.756 -0.003 25868 1864 1 4 . 1 1 58 58 GLU N N 58 114.098 114.098 116.073 -1.975 25868 1865 1 4 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.108 0.049 25868 1866 1 4 . 1 1 58 58 GLU C C 58 175.655 175.655 176.295 -0.640 25868 1867 1 4 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.677 -1.543 25868 1868 1 4 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.055 -0.415 25868 1869 1 4 . 1 1 58 58 GLU H H 58 7.849 7.849 7.705 0.144 25868 1870 1 4 . 1 1 59 59 HIS N N 59 115.781 115.781 113.549 2.232 25868 1871 1 4 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.361 -0.150 25868 1872 1 4 . 1 1 59 59 HIS C C 59 173.784 173.784 174.077 -0.293 25868 1873 1 4 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.002 -0.591 25868 1874 1 4 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.071 -1.233 25868 1875 1 4 . 1 1 59 59 HIS H H 59 7.659 7.659 7.137 0.522 25868 1876 1 4 . 1 1 60 60 ASP N N 60 118.780 118.780 120.516 -1.736 25868 1877 1 4 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.762 0.097 25868 1878 1 4 . 1 1 60 60 ASP C C 60 175.847 175.847 176.555 -0.708 25868 1879 1 4 . 1 1 60 60 ASP CA C 60 51.803 51.803 52.665 -0.862 25868 1880 1 4 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.604 -0.473 25868 1881 1 4 . 1 1 60 60 ASP H H 60 8.660 8.660 8.182 0.478 25868 1882 1 4 . 1 1 61 61 THR N N 61 118.884 118.884 121.786 -2.902 25868 1883 1 4 . 1 1 61 61 THR HA H 61 3.763 3.763 3.981 -0.218 25868 1884 1 4 . 1 1 61 61 THR C C 61 175.886 175.886 175.966 -0.080 25868 1885 1 4 . 1 1 61 61 THR CA C 61 66.159 66.159 66.646 -0.487 25868 1886 1 4 . 1 1 61 61 THR CB C 61 68.168 68.168 68.847 -0.680 25868 1887 1 4 . 1 1 61 61 THR H H 61 7.955 7.955 8.108 -0.153 25868 1888 1 4 . 1 1 62 62 ASP N N 62 121.668 121.668 120.895 0.773 25868 1889 1 4 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.360 -0.098 25868 1890 1 4 . 1 1 62 62 ASP C C 62 178.461 178.461 178.102 0.359 25868 1891 1 4 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.321 0.128 25868 1892 1 4 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.502 0.433 25868 1893 1 4 . 1 1 62 62 ASP H H 62 8.298 8.298 8.052 0.246 25868 1894 1 4 . 1 1 63 63 GLY N N 63 109.003 109.003 107.204 1.799 25868 1895 1 4 . 1 1 63 63 GLY C C 63 175.517 175.517 175.544 -0.027 25868 1896 1 4 . 1 1 63 63 GLY CA C 63 46.059 46.059 45.982 0.077 25868 1897 1 4 . 1 1 63 63 GLY H H 63 8.018 8.018 7.807 0.211 25868 1898 1 4 . 1 1 64 64 LEU N N 64 122.504 122.504 122.896 -0.392 25868 1899 1 4 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.107 -0.025 25868 1900 1 4 . 1 1 64 64 LEU C C 64 177.333 177.333 178.233 -0.900 25868 1901 1 4 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.570 0.923 25868 1902 1 4 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.945 0.162 25868 1903 1 4 . 1 1 64 64 LEU H H 64 8.073 8.073 7.839 0.234 25868 1904 1 4 . 1 1 65 65 ARG N N 65 118.626 118.626 118.473 0.153 25868 1905 1 4 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.928 -0.036 25868 1906 1 4 . 1 1 65 65 ARG C C 65 179.045 179.045 178.444 0.601 25868 1907 1 4 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.496 0.359 25868 1908 1 4 . 1 1 65 65 ARG CB C 65 29.935 29.935 29.964 -0.029 25868 1909 1 4 . 1 1 65 65 ARG H H 65 8.491 8.491 7.819 0.672 25868 1910 1 4 . 1 1 66 66 ARG N N 66 119.009 119.009 119.068 -0.059 25868 1911 1 4 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.958 0.009 25868 1912 1 4 . 1 1 66 66 ARG C C 66 178.943 178.943 178.150 0.793 25868 1913 1 4 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.268 0.945 25868 1914 1 4 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.212 0.339 25868 1915 1 4 . 1 1 66 66 ARG H H 66 7.601 7.601 7.756 -0.155 25868 1916 1 4 . 1 1 67 67 ALA N N 67 122.174 122.174 120.199 1.975 25868 1917 1 4 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.318 -0.141 25868 1918 1 4 . 1 1 67 67 ALA C C 67 178.654 178.654 179.700 -1.046 25868 1919 1 4 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.597 1.497 25868 1920 1 4 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.301 -0.422 25868 1921 1 4 . 1 1 67 67 ALA H H 67 8.681 8.681 7.794 0.887 25868 1922 1 4 . 1 1 68 68 ALA N N 68 119.208 119.208 121.954 -2.746 25868 1923 1 4 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.013 -0.062 25868 1924 1 4 . 1 1 68 68 ALA C C 68 179.562 179.562 178.894 0.668 25868 1925 1 4 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.105 0.460 25868 1926 1 4 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.343 -0.502 25868 1927 1 4 . 1 1 68 68 ALA H H 68 9.060 9.060 8.124 0.936 25868 1928 1 4 . 1 1 69 69 LYS N N 69 119.434 119.434 118.860 0.574 25868 1929 1 4 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.948 0.042 25868 1930 1 4 . 1 1 69 69 LYS C C 69 178.929 178.929 178.709 0.220 25868 1931 1 4 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.632 -0.097 25868 1932 1 4 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.415 -0.305 25868 1933 1 4 . 1 1 69 69 LYS H H 69 7.997 7.997 8.222 -0.225 25868 1934 1 4 . 1 1 70 70 SER N N 70 116.406 116.406 115.243 1.163 25868 1935 1 4 . 1 1 70 70 SER HA H 70 3.908 3.908 4.006 -0.098 25868 1936 1 4 . 1 1 70 70 SER C C 70 175.957 175.957 176.156 -0.199 25868 1937 1 4 . 1 1 70 70 SER CA C 70 62.776 62.776 61.217 1.559 25868 1938 1 4 . 1 1 70 70 SER CB C 70 60.389 60.389 62.543 -2.154 25868 1939 1 4 . 1 1 70 70 SER H H 70 8.105 8.105 7.656 0.449 25868 1940 1 4 . 1 1 71 71 LEU N N 71 123.712 123.712 123.194 0.518 25868 1941 1 4 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.288 -0.207 25868 1942 1 4 . 1 1 71 71 LEU C C 71 176.893 176.893 178.021 -1.128 25868 1943 1 4 . 1 1 71 71 LEU CA C 71 58.977 58.977 57.899 1.078 25868 1944 1 4 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.164 0.280 25868 1945 1 4 . 1 1 71 71 LEU H H 71 8.315 8.315 7.618 0.697 25868 1946 1 4 . 1 1 72 72 LYS N N 72 117.431 117.431 116.385 1.046 25868 1947 1 4 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.038 -0.176 25868 1948 1 4 . 1 1 72 72 LYS C C 72 179.617 179.617 178.688 0.929 25868 1949 1 4 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.175 0.365 25868 1950 1 4 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.001 -0.011 25868 1951 1 4 . 1 1 72 72 LYS H H 72 7.785 7.785 7.867 -0.082 25868 1952 1 4 . 1 1 73 73 GLU N N 73 117.402 117.402 117.612 -0.210 25868 1953 1 4 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.355 -0.336 25868 1954 1 4 . 1 1 73 73 GLU C C 73 178.475 178.475 177.570 0.905 25868 1955 1 4 . 1 1 73 73 GLU CA C 73 58.645 58.645 57.091 1.554 25868 1956 1 4 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.486 -0.077 25868 1957 1 4 . 1 1 73 73 GLU H H 73 7.920 7.920 7.699 0.221 25868 1958 1 4 . 1 1 74 74 ALA N N 74 122.211 122.211 122.112 0.099 25868 1959 1 4 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.242 0.077 25868 1960 1 4 . 1 1 74 74 ALA C C 74 178.839 178.839 179.172 -0.333 25868 1961 1 4 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.625 -0.247 25868 1962 1 4 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.791 -1.261 25868 1963 1 4 . 1 1 74 74 ALA H H 74 8.010 8.010 7.238 0.772 25868 1964 1 4 . 1 1 75 75 ILE N N 75 113.486 113.486 117.541 -4.055 25868 1965 1 4 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.781 -0.366 25868 1966 1 4 . 1 1 75 75 ILE C C 75 177.333 177.333 178.322 -0.989 25868 1967 1 4 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.555 2.259 25868 1968 1 4 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.971 1.226 25868 1969 1 4 . 1 1 75 75 ILE H H 75 7.405 7.405 7.773 -0.368 25868 1970 1 4 . 1 1 76 76 THR N N 76 105.977 105.977 110.575 -4.598 25868 1971 1 4 . 1 1 76 76 THR HA H 76 3.963 3.963 4.115 -0.152 25868 1972 1 4 . 1 1 76 76 THR C C 76 174.609 174.609 175.227 -0.618 25868 1973 1 4 . 1 1 76 76 THR CA C 76 63.773 63.773 65.052 -1.279 25868 1974 1 4 . 1 1 76 76 THR CB C 76 68.757 68.757 68.125 0.632 25868 1975 1 4 . 1 1 76 76 THR H H 76 7.217 7.217 8.098 -0.881 25868 1976 1 4 . 1 1 77 77 ALA N N 77 122.534 122.534 123.402 -0.868 25868 1977 1 4 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.467 -0.050 25868 1978 1 4 . 1 1 77 77 ALA C C 77 177.085 177.085 177.522 -0.437 25868 1979 1 4 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.661 -0.033 25868 1980 1 4 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.001 0.780 25868 1981 1 4 . 1 1 77 77 ALA H H 77 7.486 7.486 7.398 0.088 25868 1982 1 4 . 1 1 78 78 ILE N N 78 123.223 123.223 122.876 0.347 25868 1983 1 4 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.039 0.173 25868 1984 1 4 . 1 1 78 78 ILE C C 78 174.939 174.939 174.091 0.848 25868 1985 1 4 . 1 1 78 78 ILE CA C 78 59.798 59.798 60.047 -0.249 25868 1986 1 4 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.836 1.780 25868 1987 1 4 . 1 1 78 78 ILE H H 78 7.428 7.428 7.194 0.234 25868 1988 1 4 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.380 0.058 25868 1989 1 4 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.091 0.994 25868 1990 1 4 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.243 0.065 25868 1991 1 4 . 1 1 83 83 GLY N N 83 105.726 105.726 105.628 0.098 25868 1992 1 4 . 1 1 83 83 GLY C C 83 175.765 175.765 176.375 -0.610 25868 1993 1 4 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.793 0.698 25868 1994 1 4 . 1 1 83 83 GLY H H 83 7.613 7.613 8.412 -0.799 25868 1995 1 4 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.023 -0.139 25868 1996 1 4 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.798 1.522 25868 1997 1 4 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.678 1.149 25868 1998 1 4 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.289 -0.305 25868 1999 1 4 . 1 1 86 86 GLU C C 86 179.163 179.163 178.981 0.182 25868 2000 1 4 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.804 0.392 25868 2001 1 4 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.070 -0.142 25868 2002 1 4 . 1 1 86 86 GLU H H 86 7.965 7.965 7.714 0.251 25868 2003 1 4 . 1 1 87 87 ALA N N 87 122.092 122.092 121.961 0.131 25868 2004 1 4 . 1 1 87 87 ALA HA H 87 4.199 4.199 3.915 0.284 25868 2005 1 4 . 1 1 87 87 ALA C C 87 178.980 178.980 179.275 -0.295 25868 2006 1 4 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.502 0.167 25868 2007 1 4 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.440 -0.027 25868 2008 1 4 . 1 1 87 87 ALA H H 87 8.108 8.108 7.736 0.372 25868 2009 1 4 . 1 1 88 88 LYS N N 88 118.808 118.808 119.448 -0.640 25868 2010 1 4 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.950 -0.057 25868 2011 1 4 . 1 1 88 88 LYS C C 88 179.341 179.341 178.705 0.636 25868 2012 1 4 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.109 0.893 25868 2013 1 4 . 1 1 88 88 LYS CB C 88 32.226 32.226 31.974 0.252 25868 2014 1 4 . 1 1 88 88 LYS H H 88 8.501 8.501 7.787 0.714 25868 2015 1 4 . 1 1 89 89 GLU N N 89 119.454 119.454 118.672 0.782 25868 2016 1 4 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.003 -0.008 25868 2017 1 4 . 1 1 89 89 GLU C C 89 179.017 179.017 179.141 -0.124 25868 2018 1 4 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.934 0.009 25868 2019 1 4 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.282 -0.450 25868 2020 1 4 . 1 1 89 89 GLU H H 89 7.544 7.544 7.580 -0.036 25868 2021 1 4 . 1 1 90 90 MET N N 90 119.262 119.262 118.427 0.835 25868 2022 1 4 . 1 1 90 90 MET HA H 90 3.284 3.284 3.697 -0.413 25868 2023 1 4 . 1 1 90 90 MET C C 90 177.003 177.003 178.171 -1.168 25868 2024 1 4 . 1 1 90 90 MET CA C 90 59.168 59.168 58.607 0.561 25868 2025 1 4 . 1 1 90 90 MET CB C 90 33.468 33.468 31.950 1.518 25868 2026 1 4 . 1 1 90 90 MET H H 90 7.600 7.600 7.273 0.327 25868 2027 1 4 . 1 1 91 91 ALA N N 91 120.041 120.041 122.200 -2.159 25868 2028 1 4 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.980 -0.112 25868 2029 1 4 . 1 1 91 91 ALA C C 91 179.039 179.039 179.224 -0.185 25868 2030 1 4 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.280 -0.250 25868 2031 1 4 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.088 -0.004 25868 2032 1 4 . 1 1 91 91 ALA H H 91 8.212 8.212 7.975 0.237 25868 2033 1 4 . 1 1 92 92 LYS N N 92 118.442 118.442 118.040 0.402 25868 2034 1 4 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.095 -0.173 25868 2035 1 4 . 1 1 92 92 LYS C C 92 178.874 178.874 179.135 -0.261 25868 2036 1 4 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.157 -0.036 25868 2037 1 4 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.095 0.148 25868 2038 1 4 . 1 1 92 92 LYS H H 92 7.819 7.819 7.532 0.287 25868 2039 1 4 . 1 1 93 93 LYS N N 93 119.228 119.228 118.961 0.267 25868 2040 1 4 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.991 -0.414 25868 2041 1 4 . 1 1 93 93 LYS C C 93 176.618 176.618 178.407 -1.789 25868 2042 1 4 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.411 -0.285 25868 2043 1 4 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.812 -0.667 25868 2044 1 4 . 1 1 93 93 LYS H H 93 7.449 7.449 7.398 0.051 25868 2045 1 4 . 1 1 94 94 ALA N N 94 117.825 117.825 121.295 -3.470 25868 2046 1 4 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.804 -0.023 25868 2047 1 4 . 1 1 94 94 ALA C C 94 178.736 178.736 179.527 -0.791 25868 2048 1 4 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.147 -0.269 25868 2049 1 4 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.328 -1.085 25868 2050 1 4 . 1 1 94 94 ALA H H 94 7.698 7.698 7.922 -0.224 25868 2051 1 4 . 1 1 95 95 GLU N N 95 115.361 115.361 118.590 -3.229 25868 2052 1 4 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.969 -0.060 25868 2053 1 4 . 1 1 95 95 GLU C C 95 178.984 178.984 179.111 -0.127 25868 2054 1 4 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.519 -0.139 25868 2055 1 4 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.522 -0.046 25868 2056 1 4 . 1 1 95 95 GLU H H 95 7.907 7.907 7.783 0.124 25868 2057 1 4 . 1 1 96 96 GLU N N 96 121.608 121.608 120.292 1.316 25868 2058 1 4 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.082 -0.133 25868 2059 1 4 . 1 1 96 96 GLU C C 96 180.249 180.249 179.228 1.021 25868 2060 1 4 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.109 0.088 25868 2061 1 4 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.526 -0.646 25868 2062 1 4 . 1 1 96 96 GLU H H 96 7.815 7.815 7.876 -0.061 25868 2063 1 4 . 1 1 97 97 TRP N N 97 122.511 122.511 119.552 2.959 25868 2064 1 4 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.482 -0.084 25868 2065 1 4 . 1 1 97 97 TRP C C 97 178.007 178.007 178.702 -0.695 25868 2066 1 4 . 1 1 97 97 TRP CA C 97 57.736 57.736 59.066 -1.330 25868 2067 1 4 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.472 -0.494 25868 2068 1 4 . 1 1 97 97 TRP H H 97 8.069 8.069 8.261 -0.192 25868 2069 1 4 . 1 1 98 98 LEU N N 98 119.235 119.235 121.154 -1.919 25868 2070 1 4 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.084 -0.001 25868 2071 1 4 . 1 1 98 98 LEU C C 98 178.599 178.599 178.858 -0.259 25868 2072 1 4 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.223 -0.569 25868 2073 1 4 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.514 0.451 25868 2074 1 4 . 1 1 98 98 LEU H H 98 8.077 8.077 7.917 0.160 25868 2075 1 4 . 1 1 99 99 GLN N N 99 117.609 117.609 117.580 0.029 25868 2076 1 4 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.093 0.023 25868 2077 1 4 . 1 1 99 99 GLN C C 99 177.636 177.636 177.742 -0.106 25868 2078 1 4 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.438 -0.718 25868 2079 1 4 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.738 -0.492 25868 2080 1 4 . 1 1 99 99 GLN H H 99 8.077 8.077 8.240 -0.163 25868 2081 1 4 . 1 1 100 100 ALA N N 100 122.106 122.106 121.593 0.513 25868 2082 1 4 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.214 0.091 25868 2083 1 4 . 1 1 100 100 ALA C C 100 179.424 179.424 179.753 -0.329 25868 2084 1 4 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.813 -0.760 25868 2085 1 4 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.797 -0.244 25868 2086 1 4 . 1 1 100 100 ALA H H 100 7.944 7.944 7.717 0.227 25868 2087 1 4 . 1 1 101 101 GLU N N 101 117.817 117.817 117.619 0.198 25868 2088 1 4 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.162 0.194 25868 2089 1 4 . 1 1 101 101 GLU C C 101 177.415 177.415 179.342 -1.927 25868 2090 1 4 . 1 1 101 101 GLU CA C 101 57.013 57.013 58.771 -1.758 25868 2091 1 4 . 1 1 101 101 GLU CB C 101 30.399 30.399 29.841 0.558 25868 2092 1 4 . 1 1 101 101 GLU H H 101 8.162 8.162 8.213 -0.051 25868 2093 1 4 . 1 1 102 102 GLN N N 102 118.194 118.194 117.399 0.795 25868 2094 1 4 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.277 0.057 25868 2095 1 4 . 1 1 102 102 GLN C C 102 175.755 175.755 176.799 -1.044 25868 2096 1 4 . 1 1 102 102 GLN CA C 102 56.327 56.327 56.777 -0.450 25868 2097 1 4 . 1 1 102 102 GLN CB C 102 29.294 29.294 28.347 0.947 25868 2098 1 4 . 1 1 102 102 GLN H H 102 8.094 8.094 7.852 0.242 25868 2099 1 4 . 1 1 103 103 ASN N N 103 119.032 119.032 118.268 0.764 25868 2100 1 4 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.552 0.238 25868 2101 1 4 . 1 1 103 103 ASN C C 103 173.949 173.949 175.348 -1.399 25868 2102 1 4 . 1 1 103 103 ASN CA C 103 53.029 53.029 54.775 -1.746 25868 2103 1 4 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.883 0.167 25868 2104 1 4 . 1 1 103 103 ASN H H 103 8.149 8.149 7.906 0.243 25868 2105 1 5 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.823 -0.249 25868 2106 1 5 . 1 1 2 2 ASP C C 2 176.630 176.630 175.283 1.347 25868 2107 1 5 . 1 1 2 2 ASP CA C 2 55.042 55.042 53.621 1.421 25868 2108 1 5 . 1 1 2 2 ASP CB C 2 40.901 40.901 42.001 -1.099 25868 2109 1 5 . 1 1 3 3 GLU N N 3 121.683 121.683 123.805 -2.122 25868 2110 1 5 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.196 -0.016 25868 2111 1 5 . 1 1 3 3 GLU CA C 3 57.896 57.896 56.885 1.011 25868 2112 1 5 . 1 1 3 3 GLU CB C 3 29.407 29.407 30.248 -0.841 25868 2113 1 5 . 1 1 3 3 GLU H H 3 8.889 8.889 8.609 0.280 25868 2114 1 5 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.419 0.026 25868 2115 1 5 . 1 1 4 4 ASN C C 4 176.095 176.095 176.956 -0.861 25868 2116 1 5 . 1 1 4 4 ASN CA C 4 54.645 54.645 54.720 -0.075 25868 2117 1 5 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.191 -0.385 25868 2118 1 5 . 1 1 5 5 ILE N N 5 119.355 119.355 118.645 0.710 25868 2119 1 5 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.757 0.120 25868 2120 1 5 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.153 -0.072 25868 2121 1 5 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.757 -0.066 25868 2122 1 5 . 1 1 5 5 ILE H H 5 8.018 8.018 8.108 -0.090 25868 2123 1 5 . 1 1 6 6 ALA N N 6 123.430 123.430 120.763 2.667 25868 2124 1 5 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.219 0.030 25868 2125 1 5 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.669 -0.498 25868 2126 1 5 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.131 0.113 25868 2127 1 5 . 1 1 6 6 ALA H H 6 8.041 8.041 7.791 0.250 25868 2128 1 5 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.006 0.024 25868 2129 1 5 . 1 1 7 7 LYS C C 7 178.778 178.778 178.781 -0.003 25868 2130 1 5 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.094 -0.340 25868 2131 1 5 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.088 -0.075 25868 2132 1 5 . 1 1 8 8 PHE N N 8 120.439 120.439 117.672 2.767 25868 2133 1 5 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.265 0.409 25868 2134 1 5 . 1 1 8 8 PHE C C 8 177.470 177.470 178.307 -0.837 25868 2135 1 5 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.758 -0.603 25868 2136 1 5 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.323 0.953 25868 2137 1 5 . 1 1 8 8 PHE H H 8 7.908 7.908 7.169 0.739 25868 2138 1 5 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.138 -0.009 25868 2139 1 5 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.991 0.121 25868 2140 1 5 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.329 0.465 25868 2141 1 5 . 1 1 11 11 ALA N N 11 122.712 122.712 120.119 2.593 25868 2142 1 5 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.219 -0.013 25868 2143 1 5 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.453 0.717 25868 2144 1 5 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.125 -0.864 25868 2145 1 5 . 1 1 11 11 ALA H H 11 7.945 7.945 7.503 0.442 25868 2146 1 5 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.304 -0.183 25868 2147 1 5 . 1 1 12 12 TYR CA C 12 59.166 59.166 59.422 -0.257 25868 2148 1 5 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.554 -0.554 25868 2149 1 5 . 1 1 13 13 LYS N N 13 120.452 120.452 126.242 -5.790 25868 2150 1 5 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.596 -0.556 25868 2151 1 5 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.230 3.583 25868 2152 1 5 . 1 1 13 13 LYS CB C 13 32.327 32.327 35.361 -3.034 25868 2153 1 5 . 1 1 13 13 LYS H H 13 8.017 8.017 7.697 0.320 25868 2154 1 5 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.625 -0.471 25868 2155 1 5 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.690 0.985 25868 2156 1 5 . 1 1 14 14 LYS CB C 14 32.196 32.196 30.589 1.607 25868 2157 1 5 . 1 1 14 14 LYS H H 14 8.011 8.011 8.623 -0.612 25868 2158 1 5 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.284 -0.012 25868 2159 1 5 . 1 1 15 15 ALA C C 15 179.056 179.056 177.359 1.697 25868 2160 1 5 . 1 1 15 15 ALA CA C 15 53.971 53.971 53.734 0.237 25868 2161 1 5 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.447 -0.763 25868 2162 1 5 . 1 1 16 16 GLU N N 16 120.136 120.136 117.762 2.374 25868 2163 1 5 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.137 0.078 25868 2164 1 5 . 1 1 16 16 GLU C C 16 179.176 179.176 177.018 2.158 25868 2165 1 5 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.445 1.054 25868 2166 1 5 . 1 1 16 16 GLU CB C 16 29.915 29.915 28.096 1.819 25868 2167 1 5 . 1 1 16 16 GLU H H 16 8.599 8.599 8.277 0.322 25868 2168 1 5 . 1 1 17 17 GLU N N 17 120.683 120.683 120.314 0.369 25868 2169 1 5 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.228 -0.154 25868 2170 1 5 . 1 1 17 17 GLU CA C 17 58.104 58.104 57.102 1.002 25868 2171 1 5 . 1 1 17 17 GLU CB C 17 29.718 29.718 30.090 -0.372 25868 2172 1 5 . 1 1 17 17 GLU H H 17 8.009 8.009 8.386 -0.377 25868 2173 1 5 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.473 -0.143 25868 2174 1 5 . 1 1 18 18 LEU CA C 18 54.498 54.498 53.503 0.995 25868 2175 1 5 . 1 1 18 18 LEU CB C 18 41.969 41.969 44.562 -2.593 25868 2176 1 5 . 1 1 18 18 LEU H H 18 7.614 7.614 7.306 0.308 25868 2177 1 5 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.674 -0.265 25868 2178 1 5 . 1 1 19 19 ASN C C 19 174.609 174.609 174.702 -0.093 25868 2179 1 5 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.629 0.047 25868 2180 1 5 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.107 0.718 25868 2181 1 5 . 1 1 20 20 GLN N N 20 118.736 118.736 119.008 -0.272 25868 2182 1 5 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.598 -0.138 25868 2183 1 5 . 1 1 20 20 GLN C C 20 176.659 176.659 175.737 0.922 25868 2184 1 5 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.612 -0.924 25868 2185 1 5 . 1 1 20 20 GLN CB C 20 28.164 28.164 28.748 -0.584 25868 2186 1 5 . 1 1 20 20 GLN H H 20 8.340 8.340 7.820 0.520 25868 2187 1 5 . 1 1 21 21 GLY N N 21 111.864 111.864 108.921 2.943 25868 2188 1 5 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.117 0.936 25868 2189 1 5 . 1 1 21 21 GLY H H 21 8.455 8.455 8.513 -0.058 25868 2190 1 5 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.152 0.111 25868 2191 1 5 . 1 1 23 23 LEU C C 23 179.620 179.620 176.996 2.624 25868 2192 1 5 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.978 0.416 25868 2193 1 5 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.300 -0.749 25868 2194 1 5 . 1 1 24 24 MET N N 24 120.657 120.657 114.682 5.975 25868 2195 1 5 . 1 1 24 24 MET HA H 24 4.077 4.077 4.484 -0.407 25868 2196 1 5 . 1 1 24 24 MET CB C 24 34.035 34.035 34.614 -0.579 25868 2197 1 5 . 1 1 24 24 MET H H 24 8.219 8.219 7.106 1.113 25868 2198 1 5 . 1 1 25 25 GLY N N 25 106.956 106.956 108.582 -1.626 25868 2199 1 5 . 1 1 25 25 GLY C C 25 175.016 175.016 175.889 -0.873 25868 2200 1 5 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.558 1.213 25868 2201 1 5 . 1 1 25 25 GLY H H 25 8.589 8.589 8.604 -0.015 25868 2202 1 5 . 1 1 26 26 ARG N N 26 119.970 119.970 123.717 -3.747 25868 2203 1 5 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.444 -0.228 25868 2204 1 5 . 1 1 26 26 ARG C C 26 177.966 177.966 177.874 0.092 25868 2205 1 5 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.263 0.464 25868 2206 1 5 . 1 1 26 26 ARG CB C 26 30.263 30.263 29.919 0.344 25868 2207 1 5 . 1 1 26 26 ARG H H 26 8.297 8.297 8.040 0.257 25868 2208 1 5 . 1 1 27 27 ALA N N 27 121.499 121.499 122.959 -1.460 25868 2209 1 5 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.219 0.045 25868 2210 1 5 . 1 1 27 27 ALA C C 27 179.878 179.878 179.904 -0.026 25868 2211 1 5 . 1 1 27 27 ALA CA C 27 55.700 55.700 55.123 0.577 25868 2212 1 5 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.128 0.195 25868 2213 1 5 . 1 1 27 27 ALA H H 27 7.816 7.816 8.449 -0.633 25868 2214 1 5 . 1 1 28 28 LEU N N 28 117.285 117.285 118.746 -1.461 25868 2215 1 5 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.133 -0.106 25868 2216 1 5 . 1 1 28 28 LEU C C 28 178.158 178.158 179.192 -1.034 25868 2217 1 5 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.644 0.450 25868 2218 1 5 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.624 0.630 25868 2219 1 5 . 1 1 28 28 LEU H H 28 8.066 8.066 8.213 -0.147 25868 2220 1 5 . 1 1 29 29 TYR N N 29 119.594 119.594 119.595 -0.001 25868 2221 1 5 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.408 -0.414 25868 2222 1 5 . 1 1 29 29 TYR C C 29 176.382 176.382 177.779 -1.397 25868 2223 1 5 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.603 1.064 25868 2224 1 5 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.664 0.246 25868 2225 1 5 . 1 1 29 29 TYR H H 29 8.568 8.568 8.457 0.111 25868 2226 1 5 . 1 1 30 30 ASN N N 30 116.978 116.978 117.746 -0.768 25868 2227 1 5 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.309 -0.048 25868 2228 1 5 . 1 1 30 30 ASN C C 30 178.521 178.521 177.638 0.883 25868 2229 1 5 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.377 -0.453 25868 2230 1 5 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.626 -2.163 25868 2231 1 5 . 1 1 30 30 ASN H H 30 8.290 8.290 8.061 0.229 25868 2232 1 5 . 1 1 31 31 ILE N N 31 122.107 122.107 119.724 2.383 25868 2233 1 5 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.702 -0.345 25868 2234 1 5 . 1 1 31 31 ILE C C 31 178.007 178.007 177.477 0.530 25868 2235 1 5 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.124 1.073 25868 2236 1 5 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.446 0.240 25868 2237 1 5 . 1 1 31 31 ILE H H 31 8.006 8.006 8.215 -0.209 25868 2238 1 5 . 1 1 32 32 GLY N N 32 107.810 107.810 107.908 -0.098 25868 2239 1 5 . 1 1 32 32 GLY C C 32 175.187 175.187 175.718 -0.531 25868 2240 1 5 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.782 1.738 25868 2241 1 5 . 1 1 32 32 GLY H H 32 7.880 7.880 7.743 0.137 25868 2242 1 5 . 1 1 33 33 LEU N N 33 120.587 120.587 121.438 -0.851 25868 2243 1 5 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.033 0.023 25868 2244 1 5 . 1 1 33 33 LEU C C 33 180.635 180.635 179.363 1.272 25868 2245 1 5 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.640 0.511 25868 2246 1 5 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.602 0.075 25868 2247 1 5 . 1 1 33 33 LEU H H 33 8.117 8.117 7.675 0.442 25868 2248 1 5 . 1 1 34 34 GLU N N 34 120.332 120.332 118.478 1.854 25868 2249 1 5 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.156 -0.183 25868 2250 1 5 . 1 1 34 34 GLU C C 34 179.479 179.479 179.212 0.267 25868 2251 1 5 . 1 1 34 34 GLU CA C 34 58.862 58.862 58.678 0.184 25868 2252 1 5 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.954 0.197 25868 2253 1 5 . 1 1 34 34 GLU H H 34 7.763 7.763 7.570 0.193 25868 2254 1 5 . 1 1 35 35 LYS N N 35 118.642 118.642 119.558 -0.916 25868 2255 1 5 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.006 -0.093 25868 2256 1 5 . 1 1 35 35 LYS C C 35 179.149 179.149 178.619 0.530 25868 2257 1 5 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.554 -0.712 25868 2258 1 5 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.815 -1.101 25868 2259 1 5 . 1 1 35 35 LYS H H 35 8.573 8.573 8.099 0.474 25868 2260 1 5 . 1 1 36 36 ASN N N 36 119.047 119.047 117.630 1.417 25868 2261 1 5 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.476 -0.168 25868 2262 1 5 . 1 1 36 36 ASN C C 36 179.782 179.782 177.380 2.402 25868 2263 1 5 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.687 -0.028 25868 2264 1 5 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.531 -0.339 25868 2265 1 5 . 1 1 36 36 ASN H H 36 8.348 8.348 8.079 0.269 25868 2266 1 5 . 1 1 37 37 LYS N N 37 121.477 121.477 119.787 1.690 25868 2267 1 5 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.097 -0.013 25868 2268 1 5 . 1 1 37 37 LYS C C 37 177.938 177.938 178.207 -0.269 25868 2269 1 5 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.958 0.332 25868 2270 1 5 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.392 -0.182 25868 2271 1 5 . 1 1 37 37 LYS H H 37 7.956 7.956 7.701 0.255 25868 2272 1 5 . 1 1 38 38 MET N N 38 114.976 114.976 114.768 0.208 25868 2273 1 5 . 1 1 38 38 MET HA H 38 4.519 4.519 4.406 0.113 25868 2274 1 5 . 1 1 38 38 MET C C 38 175.847 175.847 176.179 -0.332 25868 2275 1 5 . 1 1 38 38 MET CA C 38 55.264 55.264 55.746 -0.482 25868 2276 1 5 . 1 1 38 38 MET CB C 38 33.388 33.388 33.405 -0.017 25868 2277 1 5 . 1 1 38 38 MET H H 38 7.394 7.394 7.495 -0.101 25868 2278 1 5 . 1 1 39 39 GLY N N 39 107.575 107.575 105.680 1.895 25868 2279 1 5 . 1 1 39 39 GLY C C 39 174.994 174.994 175.035 -0.041 25868 2280 1 5 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.184 0.568 25868 2281 1 5 . 1 1 39 39 GLY H H 39 7.906 7.906 7.554 0.352 25868 2282 1 5 . 1 1 40 40 LYS N N 40 122.563 122.563 121.581 0.982 25868 2283 1 5 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.406 0.330 25868 2284 1 5 . 1 1 40 40 LYS C C 40 175.847 175.847 175.636 0.211 25868 2285 1 5 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.376 -0.996 25868 2286 1 5 . 1 1 40 40 LYS CB C 40 30.422 30.422 29.907 0.515 25868 2287 1 5 . 1 1 40 40 LYS H H 40 7.958 7.958 8.133 -0.175 25868 2288 1 5 . 1 1 41 41 ALA N N 41 123.662 123.662 126.150 -2.488 25868 2289 1 5 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.109 0.026 25868 2290 1 5 . 1 1 41 41 ALA C C 41 178.736 178.736 178.802 -0.066 25868 2291 1 5 . 1 1 41 41 ALA CA C 41 55.729 55.729 55.292 0.437 25868 2292 1 5 . 1 1 41 41 ALA CB C 41 19.966 19.966 19.014 0.952 25868 2293 1 5 . 1 1 41 41 ALA H H 41 7.487 7.487 7.842 -0.355 25868 2294 1 5 . 1 1 42 42 ARG N N 42 118.612 118.612 118.903 -0.291 25868 2295 1 5 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.095 -0.095 25868 2296 1 5 . 1 1 42 42 ARG C C 42 178.901 178.901 178.058 0.843 25868 2297 1 5 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.791 0.006 25868 2298 1 5 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.303 -0.429 25868 2299 1 5 . 1 1 42 42 ARG H H 42 8.864 8.864 8.570 0.294 25868 2300 1 5 . 1 1 43 43 GLU N N 43 120.194 120.194 118.832 1.362 25868 2301 1 5 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.104 0.019 25868 2302 1 5 . 1 1 43 43 GLU C C 43 178.901 178.901 178.828 0.073 25868 2303 1 5 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.852 -0.414 25868 2304 1 5 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.386 0.548 25868 2305 1 5 . 1 1 43 43 GLU H H 43 8.062 8.062 8.691 -0.629 25868 2306 1 5 . 1 1 44 44 ALA N N 44 121.369 121.369 122.516 -1.147 25868 2307 1 5 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.558 0.015 25868 2308 1 5 . 1 1 44 44 ALA C C 44 177.911 177.911 179.063 -1.152 25868 2309 1 5 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.083 0.679 25868 2310 1 5 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.124 0.424 25868 2311 1 5 . 1 1 44 44 ALA H H 44 8.627 8.627 7.938 0.689 25868 2312 1 5 . 1 1 45 45 ALA N N 45 117.108 117.108 120.620 -3.512 25868 2313 1 5 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.174 -0.089 25868 2314 1 5 . 1 1 45 45 ALA C C 45 178.078 178.078 180.064 -1.986 25868 2315 1 5 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.158 0.418 25868 2316 1 5 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.386 -0.946 25868 2317 1 5 . 1 1 45 45 ALA H H 45 8.310 8.310 7.977 0.333 25868 2318 1 5 . 1 1 46 46 GLU N N 46 115.941 115.941 119.115 -3.174 25868 2319 1 5 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.195 -0.276 25868 2320 1 5 . 1 1 46 46 GLU C C 46 179.341 179.341 179.324 0.017 25868 2321 1 5 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.133 0.624 25868 2322 1 5 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.857 -0.720 25868 2323 1 5 . 1 1 46 46 GLU H H 46 7.451 7.451 7.743 -0.292 25868 2324 1 5 . 1 1 47 47 TYR N N 47 117.925 117.925 119.839 -1.914 25868 2325 1 5 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.190 -0.345 25868 2326 1 5 . 1 1 47 47 TYR C C 47 178.544 178.544 178.502 0.042 25868 2327 1 5 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.748 2.916 25868 2328 1 5 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.265 -0.951 25868 2329 1 5 . 1 1 47 47 TYR H H 47 7.746 7.746 8.324 -0.578 25868 2330 1 5 . 1 1 48 48 PHE N N 48 118.758 118.758 118.504 0.254 25868 2331 1 5 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.488 0.260 25868 2332 1 5 . 1 1 48 48 PHE C C 48 178.227 178.227 177.932 0.295 25868 2333 1 5 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.764 -0.211 25868 2334 1 5 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.418 -0.269 25868 2335 1 5 . 1 1 48 48 PHE H H 48 9.054 9.054 8.366 0.688 25868 2336 1 5 . 1 1 49 49 PHE N N 49 120.234 120.234 122.109 -1.875 25868 2337 1 5 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.352 0.146 25868 2338 1 5 . 1 1 49 49 PHE C C 49 176.645 176.645 177.326 -0.681 25868 2339 1 5 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.137 0.084 25868 2340 1 5 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.165 1.124 25868 2341 1 5 . 1 1 49 49 PHE H H 49 8.981 8.981 8.303 0.678 25868 2342 1 5 . 1 1 50 50 ARG N N 50 117.925 117.925 118.363 -0.438 25868 2343 1 5 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.723 0.057 25868 2344 1 5 . 1 1 50 50 ARG C C 50 179.369 179.369 178.489 0.880 25868 2345 1 5 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.471 0.358 25868 2346 1 5 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.808 0.715 25868 2347 1 5 . 1 1 50 50 ARG H H 50 8.450 8.450 8.579 -0.129 25868 2348 1 5 . 1 1 51 51 ALA N N 51 120.897 120.897 121.960 -1.063 25868 2349 1 5 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.008 -0.292 25868 2350 1 5 . 1 1 51 51 ALA C C 51 177.085 177.085 179.199 -2.114 25868 2351 1 5 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.038 0.060 25868 2352 1 5 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.436 -1.170 25868 2353 1 5 . 1 1 51 51 ALA H H 51 8.697 8.697 7.685 1.012 25868 2354 1 5 . 1 1 52 52 ALA N N 52 120.007 120.007 120.924 -0.917 25868 2355 1 5 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.359 -0.289 25868 2356 1 5 . 1 1 52 52 ALA C C 52 178.067 178.067 179.829 -1.762 25868 2357 1 5 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.079 1.029 25868 2358 1 5 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.765 -1.512 25868 2359 1 5 . 1 1 52 52 ALA H H 52 8.483 8.483 7.990 0.493 25868 2360 1 5 . 1 1 53 53 ILE N N 53 116.864 116.864 118.984 -2.120 25868 2361 1 5 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.077 0.106 25868 2362 1 5 . 1 1 53 53 ILE C C 53 178.323 178.323 177.637 0.686 25868 2363 1 5 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.199 0.566 25868 2364 1 5 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.644 0.832 25868 2365 1 5 . 1 1 53 53 ILE H H 53 8.033 8.033 7.860 0.173 25868 2366 1 5 . 1 1 54 54 VAL N N 54 119.604 119.604 120.217 -0.613 25868 2367 1 5 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.572 -0.081 25868 2368 1 5 . 1 1 54 54 VAL C C 54 178.200 178.200 178.071 0.129 25868 2369 1 5 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.669 -0.293 25868 2370 1 5 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.272 0.136 25868 2371 1 5 . 1 1 54 54 VAL H H 54 7.126 7.126 7.494 -0.368 25868 2372 1 5 . 1 1 55 55 PHE N N 55 118.386 118.386 118.979 -0.593 25868 2373 1 5 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.112 0.424 25868 2374 1 5 . 1 1 55 55 PHE C C 55 178.571 178.571 177.593 0.978 25868 2375 1 5 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.747 -2.260 25868 2376 1 5 . 1 1 55 55 PHE CB C 55 38.157 38.157 38.112 0.045 25868 2377 1 5 . 1 1 55 55 PHE H H 55 9.061 9.061 8.316 0.745 25868 2378 1 5 . 1 1 56 56 TYR N N 56 119.488 119.488 120.271 -0.783 25868 2379 1 5 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.903 0.448 25868 2380 1 5 . 1 1 56 56 TYR C C 56 178.871 178.871 177.177 1.694 25868 2381 1 5 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.901 -1.407 25868 2382 1 5 . 1 1 56 56 TYR CB C 56 37.803 37.803 37.995 -0.192 25868 2383 1 5 . 1 1 56 56 TYR H H 56 8.975 8.975 7.896 1.079 25868 2384 1 5 . 1 1 57 57 LYS N N 57 121.083 121.083 118.657 2.426 25868 2385 1 5 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.724 -0.261 25868 2386 1 5 . 1 1 57 57 LYS C C 57 178.103 178.103 178.468 -0.365 25868 2387 1 5 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.426 0.419 25868 2388 1 5 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.991 -0.266 25868 2389 1 5 . 1 1 57 57 LYS H H 57 7.753 7.753 7.815 -0.062 25868 2390 1 5 . 1 1 58 58 GLU N N 58 114.098 114.098 115.551 -1.453 25868 2391 1 5 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.290 -0.133 25868 2392 1 5 . 1 1 58 58 GLU C C 58 175.655 175.655 176.484 -0.829 25868 2393 1 5 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.017 -0.882 25868 2394 1 5 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.252 -0.612 25868 2395 1 5 . 1 1 58 58 GLU H H 58 7.849 7.849 7.820 0.029 25868 2396 1 5 . 1 1 59 59 HIS N N 59 115.781 115.781 114.336 1.445 25868 2397 1 5 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.355 -0.145 25868 2398 1 5 . 1 1 59 59 HIS C C 59 173.784 173.784 174.041 -0.257 25868 2399 1 5 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.991 -0.580 25868 2400 1 5 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.118 -1.280 25868 2401 1 5 . 1 1 59 59 HIS H H 59 7.659 7.659 7.427 0.232 25868 2402 1 5 . 1 1 60 60 ASP N N 60 118.780 118.780 120.276 -1.496 25868 2403 1 5 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.732 0.127 25868 2404 1 5 . 1 1 60 60 ASP C C 60 175.847 175.847 176.804 -0.957 25868 2405 1 5 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.297 -1.494 25868 2406 1 5 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.864 -0.733 25868 2407 1 5 . 1 1 60 60 ASP H H 60 8.660 8.660 8.304 0.356 25868 2408 1 5 . 1 1 61 61 THR N N 61 118.884 118.884 120.953 -2.069 25868 2409 1 5 . 1 1 61 61 THR HA H 61 3.763 3.763 4.109 -0.346 25868 2410 1 5 . 1 1 61 61 THR C C 61 175.886 175.886 175.725 0.161 25868 2411 1 5 . 1 1 61 61 THR CA C 61 66.159 66.159 66.254 -0.095 25868 2412 1 5 . 1 1 61 61 THR CB C 61 68.168 68.168 68.800 -0.632 25868 2413 1 5 . 1 1 61 61 THR H H 61 7.955 7.955 8.055 -0.100 25868 2414 1 5 . 1 1 62 62 ASP N N 62 121.668 121.668 122.407 -0.739 25868 2415 1 5 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.344 -0.082 25868 2416 1 5 . 1 1 62 62 ASP C C 62 178.461 178.461 178.013 0.448 25868 2417 1 5 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.184 0.265 25868 2418 1 5 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.368 0.567 25868 2419 1 5 . 1 1 62 62 ASP H H 62 8.298 8.298 8.130 0.169 25868 2420 1 5 . 1 1 63 63 GLY N N 63 109.003 109.003 107.613 1.390 25868 2421 1 5 . 1 1 63 63 GLY C C 63 175.517 175.517 175.539 -0.022 25868 2422 1 5 . 1 1 63 63 GLY CA C 63 46.059 46.059 45.983 0.076 25868 2423 1 5 . 1 1 63 63 GLY H H 63 8.018 8.018 7.839 0.179 25868 2424 1 5 . 1 1 64 64 LEU N N 64 122.504 122.504 122.369 0.135 25868 2425 1 5 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.085 -0.003 25868 2426 1 5 . 1 1 64 64 LEU C C 64 177.333 177.333 178.312 -0.979 25868 2427 1 5 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.277 1.216 25868 2428 1 5 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.851 0.256 25868 2429 1 5 . 1 1 64 64 LEU H H 64 8.073 8.073 7.336 0.737 25868 2430 1 5 . 1 1 65 65 ARG N N 65 118.626 118.626 118.749 -0.123 25868 2431 1 5 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.883 0.009 25868 2432 1 5 . 1 1 65 65 ARG C C 65 179.045 179.045 178.520 0.525 25868 2433 1 5 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.796 0.059 25868 2434 1 5 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.031 -0.096 25868 2435 1 5 . 1 1 65 65 ARG H H 65 8.491 8.491 7.897 0.594 25868 2436 1 5 . 1 1 66 66 ARG N N 66 119.009 119.009 118.944 0.065 25868 2437 1 5 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.096 -0.129 25868 2438 1 5 . 1 1 66 66 ARG C C 66 178.943 178.943 178.271 0.672 25868 2439 1 5 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.719 0.494 25868 2440 1 5 . 1 1 66 66 ARG CB C 66 29.551 29.551 30.162 -0.611 25868 2441 1 5 . 1 1 66 66 ARG H H 66 7.601 7.601 7.508 0.093 25868 2442 1 5 . 1 1 67 67 ALA N N 67 122.174 122.174 121.359 0.815 25868 2443 1 5 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.260 -0.083 25868 2444 1 5 . 1 1 67 67 ALA C C 67 178.654 178.654 179.316 -0.662 25868 2445 1 5 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.800 1.294 25868 2446 1 5 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.143 -0.264 25868 2447 1 5 . 1 1 67 67 ALA H H 67 8.681 8.681 7.993 0.688 25868 2448 1 5 . 1 1 68 68 ALA N N 68 119.208 119.208 121.361 -2.153 25868 2449 1 5 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.002 -0.051 25868 2450 1 5 . 1 1 68 68 ALA C C 68 179.562 179.562 179.146 0.416 25868 2451 1 5 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.142 0.423 25868 2452 1 5 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.272 -0.431 25868 2453 1 5 . 1 1 68 68 ALA H H 68 9.060 9.060 7.806 1.254 25868 2454 1 5 . 1 1 69 69 LYS N N 69 119.434 119.434 118.487 0.947 25868 2455 1 5 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.054 -0.064 25868 2456 1 5 . 1 1 69 69 LYS C C 69 178.929 178.929 178.745 0.184 25868 2457 1 5 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.141 0.394 25868 2458 1 5 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.569 -0.459 25868 2459 1 5 . 1 1 69 69 LYS H H 69 7.997 7.997 7.482 0.515 25868 2460 1 5 . 1 1 70 70 SER N N 70 116.406 116.406 116.080 0.326 25868 2461 1 5 . 1 1 70 70 SER HA H 70 3.908 3.908 4.273 -0.365 25868 2462 1 5 . 1 1 70 70 SER C C 70 175.957 175.957 176.737 -0.780 25868 2463 1 5 . 1 1 70 70 SER CA C 70 62.776 62.776 61.333 1.444 25868 2464 1 5 . 1 1 70 70 SER CB C 70 60.389 60.389 62.158 -1.769 25868 2465 1 5 . 1 1 70 70 SER H H 70 8.105 8.105 7.973 0.132 25868 2466 1 5 . 1 1 71 71 LEU N N 71 123.712 123.712 122.122 1.590 25868 2467 1 5 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.273 -0.192 25868 2468 1 5 . 1 1 71 71 LEU C C 71 176.893 176.893 178.066 -1.173 25868 2469 1 5 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.817 0.160 25868 2470 1 5 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.962 0.483 25868 2471 1 5 . 1 1 71 71 LEU H H 71 8.315 8.315 7.989 0.326 25868 2472 1 5 . 1 1 72 72 LYS N N 72 117.431 117.431 117.121 0.310 25868 2473 1 5 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.014 -0.152 25868 2474 1 5 . 1 1 72 72 LYS C C 72 179.617 179.617 178.971 0.646 25868 2475 1 5 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.149 0.391 25868 2476 1 5 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.761 0.229 25868 2477 1 5 . 1 1 72 72 LYS H H 72 7.785 7.785 7.720 0.065 25868 2478 1 5 . 1 1 73 73 GLU N N 73 117.402 117.402 120.617 -3.215 25868 2479 1 5 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.151 -0.132 25868 2480 1 5 . 1 1 73 73 GLU C C 73 178.475 178.475 178.934 -0.459 25868 2481 1 5 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.869 -0.224 25868 2482 1 5 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.521 -0.112 25868 2483 1 5 . 1 1 73 73 GLU H H 73 7.920 7.920 7.903 0.017 25868 2484 1 5 . 1 1 74 74 ALA N N 74 122.211 122.211 122.435 -0.224 25868 2485 1 5 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.215 0.104 25868 2486 1 5 . 1 1 74 74 ALA C C 74 178.839 178.839 179.578 -0.739 25868 2487 1 5 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.908 -0.530 25868 2488 1 5 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.664 -1.134 25868 2489 1 5 . 1 1 74 74 ALA H H 74 8.010 8.010 7.828 0.182 25868 2490 1 5 . 1 1 75 75 ILE N N 75 113.486 113.486 118.308 -4.822 25868 2491 1 5 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.646 -0.231 25868 2492 1 5 . 1 1 75 75 ILE C C 75 177.333 177.333 177.736 -0.403 25868 2493 1 5 . 1 1 75 75 ILE CA C 75 65.814 65.814 65.014 0.800 25868 2494 1 5 . 1 1 75 75 ILE CB C 75 38.197 38.197 38.059 0.138 25868 2495 1 5 . 1 1 75 75 ILE H H 75 7.405 7.405 7.791 -0.386 25868 2496 1 5 . 1 1 76 76 THR N N 76 105.977 105.977 111.592 -5.615 25868 2497 1 5 . 1 1 76 76 THR HA H 76 3.963 3.963 4.036 -0.073 25868 2498 1 5 . 1 1 76 76 THR C C 76 174.609 174.609 176.387 -1.778 25868 2499 1 5 . 1 1 76 76 THR CA C 76 63.773 63.773 65.391 -1.618 25868 2500 1 5 . 1 1 76 76 THR CB C 76 68.757 68.757 68.711 0.046 25868 2501 1 5 . 1 1 76 76 THR H H 76 7.217 7.217 7.955 -0.738 25868 2502 1 5 . 1 1 77 77 ALA N N 77 122.534 122.534 124.058 -1.524 25868 2503 1 5 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.426 -0.009 25868 2504 1 5 . 1 1 77 77 ALA C C 77 177.085 177.085 177.709 -0.624 25868 2505 1 5 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.943 -0.315 25868 2506 1 5 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.034 0.747 25868 2507 1 5 . 1 1 77 77 ALA H H 77 7.486 7.486 7.271 0.215 25868 2508 1 5 . 1 1 78 78 ILE N N 78 123.223 123.223 122.726 0.497 25868 2509 1 5 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.067 0.145 25868 2510 1 5 . 1 1 78 78 ILE C C 78 174.939 174.939 174.126 0.813 25868 2511 1 5 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.746 0.052 25868 2512 1 5 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.828 1.788 25868 2513 1 5 . 1 1 78 78 ILE H H 78 7.428 7.428 7.216 0.212 25868 2514 1 5 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.424 0.014 25868 2515 1 5 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.667 1.418 25868 2516 1 5 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.379 -0.070 25868 2517 1 5 . 1 1 83 83 GLY N N 83 105.726 105.726 112.318 -6.592 25868 2518 1 5 . 1 1 83 83 GLY C C 83 175.765 175.765 174.070 1.695 25868 2519 1 5 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.090 1.401 25868 2520 1 5 . 1 1 83 83 GLY H H 83 7.613 7.613 8.182 -0.569 25868 2521 1 5 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.516 -0.632 25868 2522 1 5 . 1 1 84 84 ARG CA C 84 60.321 60.321 54.696 5.625 25868 2523 1 5 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.015 0.812 25868 2524 1 5 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.345 -0.361 25868 2525 1 5 . 1 1 86 86 GLU C C 86 179.163 179.163 176.104 3.059 25868 2526 1 5 . 1 1 86 86 GLU CA C 86 59.196 59.196 57.240 1.956 25868 2527 1 5 . 1 1 86 86 GLU CB C 86 28.928 28.928 30.249 -1.321 25868 2528 1 5 . 1 1 86 86 GLU H H 86 7.965 7.965 8.108 -0.143 25868 2529 1 5 . 1 1 87 87 ALA N N 87 122.092 122.092 123.115 -1.023 25868 2530 1 5 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.187 0.012 25868 2531 1 5 . 1 1 87 87 ALA C C 87 178.980 178.980 178.932 0.048 25868 2532 1 5 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.254 0.415 25868 2533 1 5 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.919 -0.506 25868 2534 1 5 . 1 1 87 87 ALA H H 87 8.108 8.108 7.816 0.292 25868 2535 1 5 . 1 1 88 88 LYS N N 88 118.808 118.808 118.568 0.240 25868 2536 1 5 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.937 -0.044 25868 2537 1 5 . 1 1 88 88 LYS C C 88 179.341 179.341 178.263 1.078 25868 2538 1 5 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.867 0.136 25868 2539 1 5 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.383 -0.157 25868 2540 1 5 . 1 1 88 88 LYS H H 88 8.501 8.501 7.878 0.623 25868 2541 1 5 . 1 1 89 89 GLU N N 89 119.454 119.454 116.480 2.974 25868 2542 1 5 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.007 -0.012 25868 2543 1 5 . 1 1 89 89 GLU C C 89 179.017 179.017 178.283 0.734 25868 2544 1 5 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.657 0.286 25868 2545 1 5 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.418 0.414 25868 2546 1 5 . 1 1 89 89 GLU H H 89 7.544 7.544 8.470 -0.926 25868 2547 1 5 . 1 1 90 90 MET N N 90 119.262 119.262 118.370 0.892 25868 2548 1 5 . 1 1 90 90 MET HA H 90 3.284 3.284 3.699 -0.415 25868 2549 1 5 . 1 1 90 90 MET C C 90 177.003 177.003 177.919 -0.916 25868 2550 1 5 . 1 1 90 90 MET CA C 90 59.168 59.168 58.237 0.931 25868 2551 1 5 . 1 1 90 90 MET CB C 90 33.468 33.468 31.270 2.198 25868 2552 1 5 . 1 1 90 90 MET H H 90 7.600 7.600 7.184 0.416 25868 2553 1 5 . 1 1 91 91 ALA N N 91 120.041 120.041 121.647 -1.606 25868 2554 1 5 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.979 -0.111 25868 2555 1 5 . 1 1 91 91 ALA C C 91 179.039 179.039 179.028 0.011 25868 2556 1 5 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.233 -0.202 25868 2557 1 5 . 1 1 91 91 ALA CB C 91 18.084 18.084 17.980 0.104 25868 2558 1 5 . 1 1 91 91 ALA H H 91 8.212 8.212 7.572 0.640 25868 2559 1 5 . 1 1 92 92 LYS N N 92 118.442 118.442 118.666 -0.224 25868 2560 1 5 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.084 -0.162 25868 2561 1 5 . 1 1 92 92 LYS C C 92 178.874 178.874 178.712 0.162 25868 2562 1 5 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.125 -0.004 25868 2563 1 5 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.222 0.021 25868 2564 1 5 . 1 1 92 92 LYS H H 92 7.819 7.819 7.443 0.376 25868 2565 1 5 . 1 1 93 93 LYS N N 93 119.228 119.228 118.202 1.026 25868 2566 1 5 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.613 -0.036 25868 2567 1 5 . 1 1 93 93 LYS C C 93 176.618 176.618 178.179 -1.561 25868 2568 1 5 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.511 -0.385 25868 2569 1 5 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.724 -0.579 25868 2570 1 5 . 1 1 93 93 LYS H H 93 7.449 7.449 7.433 0.016 25868 2571 1 5 . 1 1 94 94 ALA N N 94 117.825 117.825 120.812 -2.987 25868 2572 1 5 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.910 -0.129 25868 2573 1 5 . 1 1 94 94 ALA C C 94 178.736 178.736 179.597 -0.861 25868 2574 1 5 . 1 1 94 94 ALA CA C 94 54.878 54.878 54.957 -0.079 25868 2575 1 5 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.416 -1.173 25868 2576 1 5 . 1 1 94 94 ALA H H 94 7.698 7.698 7.726 -0.028 25868 2577 1 5 . 1 1 95 95 GLU N N 95 115.361 115.361 117.835 -2.474 25868 2578 1 5 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.936 -0.027 25868 2579 1 5 . 1 1 95 95 GLU C C 95 178.984 178.984 178.965 0.019 25868 2580 1 5 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.159 0.221 25868 2581 1 5 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.426 0.050 25868 2582 1 5 . 1 1 95 95 GLU H H 95 7.907 7.907 7.655 0.252 25868 2583 1 5 . 1 1 96 96 GLU N N 96 121.608 121.608 120.037 1.571 25868 2584 1 5 . 1 1 96 96 GLU HA H 96 3.949 3.949 3.991 -0.042 25868 2585 1 5 . 1 1 96 96 GLU C C 96 180.249 180.249 179.112 1.137 25868 2586 1 5 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.219 -0.022 25868 2587 1 5 . 1 1 96 96 GLU CB C 96 28.880 28.880 28.907 -0.027 25868 2588 1 5 . 1 1 96 96 GLU H H 96 7.815 7.815 7.870 -0.055 25868 2589 1 5 . 1 1 97 97 TRP N N 97 122.511 122.511 118.807 3.704 25868 2590 1 5 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.303 0.095 25868 2591 1 5 . 1 1 97 97 TRP C C 97 178.007 178.007 178.678 -0.671 25868 2592 1 5 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.554 -0.818 25868 2593 1 5 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.087 -0.109 25868 2594 1 5 . 1 1 97 97 TRP H H 97 8.069 8.069 7.598 0.471 25868 2595 1 5 . 1 1 98 98 LEU N N 98 119.235 119.235 121.133 -1.898 25868 2596 1 5 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.045 0.038 25868 2597 1 5 . 1 1 98 98 LEU C C 98 178.599 178.599 178.986 -0.387 25868 2598 1 5 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.300 -0.646 25868 2599 1 5 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.690 0.275 25868 2600 1 5 . 1 1 98 98 LEU H H 98 8.077 8.077 7.618 0.459 25868 2601 1 5 . 1 1 99 99 GLN N N 99 117.609 117.609 117.574 0.035 25868 2602 1 5 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.072 0.044 25868 2603 1 5 . 1 1 99 99 GLN C C 99 177.636 177.636 177.779 -0.143 25868 2604 1 5 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.986 -0.266 25868 2605 1 5 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.150 0.096 25868 2606 1 5 . 1 1 99 99 GLN H H 99 8.077 8.077 8.187 -0.110 25868 2607 1 5 . 1 1 100 100 ALA N N 100 122.106 122.106 120.987 1.119 25868 2608 1 5 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.191 0.114 25868 2609 1 5 . 1 1 100 100 ALA C C 100 179.424 179.424 180.133 -0.709 25868 2610 1 5 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.607 -0.554 25868 2611 1 5 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.646 -0.093 25868 2612 1 5 . 1 1 100 100 ALA H H 100 7.944 7.944 7.638 0.306 25868 2613 1 5 . 1 1 101 101 GLU N N 101 117.817 117.817 118.219 -0.402 25868 2614 1 5 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.342 0.014 25868 2615 1 5 . 1 1 101 101 GLU C C 101 177.415 177.415 178.289 -0.874 25868 2616 1 5 . 1 1 101 101 GLU CA C 101 57.013 57.013 58.078 -1.065 25868 2617 1 5 . 1 1 101 101 GLU CB C 101 30.399 30.399 29.935 0.464 25868 2618 1 5 . 1 1 101 101 GLU H H 101 8.162 8.162 7.881 0.281 25868 2619 1 5 . 1 1 102 102 GLN N N 102 118.194 118.194 117.586 0.608 25868 2620 1 5 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.442 -0.108 25868 2621 1 5 . 1 1 102 102 GLN C C 102 175.755 175.755 174.784 0.971 25868 2622 1 5 . 1 1 102 102 GLN CA C 102 56.327 56.327 54.672 1.655 25868 2623 1 5 . 1 1 102 102 GLN CB C 102 29.294 29.294 28.147 1.147 25868 2624 1 5 . 1 1 102 102 GLN H H 102 8.094 8.094 7.841 0.253 25868 2625 1 5 . 1 1 103 103 ASN N N 103 119.032 119.032 119.551 -0.519 25868 2626 1 5 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.527 0.263 25868 2627 1 5 . 1 1 103 103 ASN C C 103 173.949 173.949 174.332 -0.383 25868 2628 1 5 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.883 -0.854 25868 2629 1 5 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.349 0.701 25868 2630 1 5 . 1 1 103 103 ASN H H 103 8.149 8.149 7.747 0.402 25868 2631 1 6 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.692 -0.118 25868 2632 1 6 . 1 1 2 2 ASP C C 2 176.630 176.630 177.188 -0.558 25868 2633 1 6 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.983 0.060 25868 2634 1 6 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.574 0.327 25868 2635 1 6 . 1 1 3 3 GLU N N 3 121.683 121.683 120.250 1.433 25868 2636 1 6 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.934 0.246 25868 2637 1 6 . 1 1 3 3 GLU CA C 3 57.896 57.896 58.767 -0.871 25868 2638 1 6 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.486 -0.079 25868 2639 1 6 . 1 1 3 3 GLU H H 3 8.889 8.889 8.574 0.315 25868 2640 1 6 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.270 0.175 25868 2641 1 6 . 1 1 4 4 ASN C C 4 176.095 176.095 176.787 -0.692 25868 2642 1 6 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.550 -0.905 25868 2643 1 6 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.619 0.187 25868 2644 1 6 . 1 1 5 5 ILE N N 5 119.355 119.355 121.550 -2.195 25868 2645 1 6 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.892 -0.015 25868 2646 1 6 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.957 -0.875 25868 2647 1 6 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.633 0.059 25868 2648 1 6 . 1 1 5 5 ILE H H 5 8.018 8.018 7.277 0.741 25868 2649 1 6 . 1 1 6 6 ALA N N 6 123.430 123.430 122.073 1.357 25868 2650 1 6 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.195 0.054 25868 2651 1 6 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.862 -0.691 25868 2652 1 6 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.209 0.035 25868 2653 1 6 . 1 1 6 6 ALA H H 6 8.041 8.041 7.587 0.454 25868 2654 1 6 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.947 0.083 25868 2655 1 6 . 1 1 7 7 LYS C C 7 178.778 178.778 178.733 0.045 25868 2656 1 6 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.576 -0.822 25868 2657 1 6 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.174 -0.161 25868 2658 1 6 . 1 1 8 8 PHE N N 8 120.439 120.439 117.094 3.345 25868 2659 1 6 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.285 0.389 25868 2660 1 6 . 1 1 8 8 PHE C C 8 177.470 177.470 178.466 -0.996 25868 2661 1 6 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.359 -1.204 25868 2662 1 6 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.377 0.899 25868 2663 1 6 . 1 1 8 8 PHE H H 8 7.908 7.908 7.151 0.757 25868 2664 1 6 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.112 0.017 25868 2665 1 6 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.920 0.191 25868 2666 1 6 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.235 0.559 25868 2667 1 6 . 1 1 11 11 ALA N N 11 122.712 122.712 120.446 2.266 25868 2668 1 6 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.234 -0.028 25868 2669 1 6 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.711 0.459 25868 2670 1 6 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.338 -1.077 25868 2671 1 6 . 1 1 11 11 ALA H H 11 7.945 7.945 7.745 0.200 25868 2672 1 6 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.454 -0.333 25868 2673 1 6 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.895 1.271 25868 2674 1 6 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.073 -0.073 25868 2675 1 6 . 1 1 13 13 LYS N N 13 120.452 120.452 126.502 -6.050 25868 2676 1 6 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.452 -0.412 25868 2677 1 6 . 1 1 13 13 LYS CA C 13 57.813 57.813 57.300 0.513 25868 2678 1 6 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.788 -1.460 25868 2679 1 6 . 1 1 13 13 LYS H H 13 8.017 8.017 8.201 -0.184 25868 2680 1 6 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.526 -0.372 25868 2681 1 6 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.644 1.031 25868 2682 1 6 . 1 1 14 14 LYS CB C 14 32.196 32.196 33.822 -1.626 25868 2683 1 6 . 1 1 14 14 LYS H H 14 8.011 8.011 7.871 0.140 25868 2684 1 6 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.760 -0.488 25868 2685 1 6 . 1 1 15 15 ALA C C 15 179.056 179.056 176.262 2.794 25868 2686 1 6 . 1 1 15 15 ALA CA C 15 53.971 53.971 51.475 2.496 25868 2687 1 6 . 1 1 15 15 ALA CB C 15 18.684 18.684 20.339 -1.655 25868 2688 1 6 . 1 1 16 16 GLU N N 16 120.136 120.136 121.891 -1.755 25868 2689 1 6 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.508 -0.293 25868 2690 1 6 . 1 1 16 16 GLU C C 16 179.176 179.176 176.104 3.072 25868 2691 1 6 . 1 1 16 16 GLU CA C 16 58.499 58.499 55.345 3.154 25868 2692 1 6 . 1 1 16 16 GLU CB C 16 29.915 29.915 32.276 -2.361 25868 2693 1 6 . 1 1 16 16 GLU H H 16 8.599 8.599 8.530 0.069 25868 2694 1 6 . 1 1 17 17 GLU N N 17 120.683 120.683 121.458 -0.775 25868 2695 1 6 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.213 -0.139 25868 2696 1 6 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.896 1.208 25868 2697 1 6 . 1 1 17 17 GLU CB C 17 29.718 29.718 28.348 1.370 25868 2698 1 6 . 1 1 17 17 GLU H H 17 8.009 8.009 8.506 -0.497 25868 2699 1 6 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.616 -0.286 25868 2700 1 6 . 1 1 18 18 LEU CA C 18 54.498 54.498 52.705 1.793 25868 2701 1 6 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.045 -1.076 25868 2702 1 6 . 1 1 18 18 LEU H H 18 7.614 7.614 7.763 -0.149 25868 2703 1 6 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.687 -0.278 25868 2704 1 6 . 1 1 19 19 ASN C C 19 174.609 174.609 174.428 0.181 25868 2705 1 6 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.096 0.580 25868 2706 1 6 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.364 -0.539 25868 2707 1 6 . 1 1 20 20 GLN N N 20 118.736 118.736 116.215 2.521 25868 2708 1 6 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.556 -0.096 25868 2709 1 6 . 1 1 20 20 GLN C C 20 176.659 176.659 174.422 2.237 25868 2710 1 6 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.008 -0.320 25868 2711 1 6 . 1 1 20 20 GLN CB C 20 28.164 28.164 31.636 -3.472 25868 2712 1 6 . 1 1 20 20 GLN H H 20 8.340 8.340 7.471 0.869 25868 2713 1 6 . 1 1 21 21 GLY N N 21 111.864 111.864 108.810 3.054 25868 2714 1 6 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.046 1.007 25868 2715 1 6 . 1 1 21 21 GLY H H 21 8.455 8.455 8.474 -0.019 25868 2716 1 6 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.113 0.150 25868 2717 1 6 . 1 1 23 23 LEU C C 23 179.620 179.620 177.291 2.329 25868 2718 1 6 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.949 -0.555 25868 2719 1 6 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.931 -0.380 25868 2720 1 6 . 1 1 24 24 MET N N 24 120.657 120.657 116.216 4.441 25868 2721 1 6 . 1 1 24 24 MET HA H 24 4.077 4.077 4.372 -0.295 25868 2722 1 6 . 1 1 24 24 MET CB C 24 34.035 34.035 33.447 0.588 25868 2723 1 6 . 1 1 24 24 MET H H 24 8.219 8.219 7.252 0.967 25868 2724 1 6 . 1 1 25 25 GLY N N 25 106.956 106.956 107.066 -0.110 25868 2725 1 6 . 1 1 25 25 GLY C C 25 175.016 175.016 176.061 -1.045 25868 2726 1 6 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.797 0.974 25868 2727 1 6 . 1 1 25 25 GLY H H 25 8.589 8.589 7.667 0.922 25868 2728 1 6 . 1 1 26 26 ARG N N 26 119.970 119.970 123.768 -3.798 25868 2729 1 6 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.473 -0.257 25868 2730 1 6 . 1 1 26 26 ARG C C 26 177.966 177.966 178.135 -0.169 25868 2731 1 6 . 1 1 26 26 ARG CA C 26 59.727 59.727 58.978 0.749 25868 2732 1 6 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.235 0.028 25868 2733 1 6 . 1 1 26 26 ARG H H 26 8.297 8.297 8.304 -0.007 25868 2734 1 6 . 1 1 27 27 ALA N N 27 121.499 121.499 122.202 -0.703 25868 2735 1 6 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.166 0.098 25868 2736 1 6 . 1 1 27 27 ALA C C 27 179.878 179.878 179.639 0.239 25868 2737 1 6 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.712 0.988 25868 2738 1 6 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.263 0.060 25868 2739 1 6 . 1 1 27 27 ALA H H 27 7.816 7.816 8.210 -0.394 25868 2740 1 6 . 1 1 28 28 LEU N N 28 117.285 117.285 119.040 -1.755 25868 2741 1 6 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.878 0.149 25868 2742 1 6 . 1 1 28 28 LEU C C 28 178.158 178.158 178.641 -0.483 25868 2743 1 6 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.386 0.708 25868 2744 1 6 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.868 0.386 25868 2745 1 6 . 1 1 28 28 LEU H H 28 8.066 8.066 7.878 0.188 25868 2746 1 6 . 1 1 29 29 TYR N N 29 119.594 119.594 120.048 -0.454 25868 2747 1 6 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.356 -0.362 25868 2748 1 6 . 1 1 29 29 TYR C C 29 176.382 176.382 177.755 -1.373 25868 2749 1 6 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.728 0.939 25868 2750 1 6 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.497 0.413 25868 2751 1 6 . 1 1 29 29 TYR H H 29 8.568 8.568 7.758 0.810 25868 2752 1 6 . 1 1 30 30 ASN N N 30 116.978 116.978 116.713 0.265 25868 2753 1 6 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.162 0.099 25868 2754 1 6 . 1 1 30 30 ASN C C 30 178.521 178.521 177.472 1.049 25868 2755 1 6 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.287 -0.363 25868 2756 1 6 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.766 -1.303 25868 2757 1 6 . 1 1 30 30 ASN H H 30 8.290 8.290 7.774 0.516 25868 2758 1 6 . 1 1 31 31 ILE N N 31 122.107 122.107 119.761 2.346 25868 2759 1 6 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.702 -0.345 25868 2760 1 6 . 1 1 31 31 ILE C C 31 178.007 178.007 177.561 0.446 25868 2761 1 6 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.874 1.323 25868 2762 1 6 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.160 0.526 25868 2763 1 6 . 1 1 31 31 ILE H H 31 8.006 8.006 7.286 0.720 25868 2764 1 6 . 1 1 32 32 GLY N N 32 107.810 107.810 108.245 -0.435 25868 2765 1 6 . 1 1 32 32 GLY C C 32 175.187 175.187 175.689 -0.502 25868 2766 1 6 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.881 1.639 25868 2767 1 6 . 1 1 32 32 GLY H H 32 7.880 7.880 7.808 0.072 25868 2768 1 6 . 1 1 33 33 LEU N N 33 120.587 120.587 121.545 -0.958 25868 2769 1 6 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.013 0.043 25868 2770 1 6 . 1 1 33 33 LEU C C 33 180.635 180.635 179.306 1.329 25868 2771 1 6 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.702 0.449 25868 2772 1 6 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.486 0.190 25868 2773 1 6 . 1 1 33 33 LEU H H 33 8.117 8.117 7.735 0.382 25868 2774 1 6 . 1 1 34 34 GLU N N 34 120.332 120.332 118.906 1.426 25868 2775 1 6 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.101 -0.128 25868 2776 1 6 . 1 1 34 34 GLU C C 34 179.479 179.479 179.312 0.167 25868 2777 1 6 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.091 -0.229 25868 2778 1 6 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.042 0.109 25868 2779 1 6 . 1 1 34 34 GLU H H 34 7.763 7.763 7.580 0.183 25868 2780 1 6 . 1 1 35 35 LYS N N 35 118.642 118.642 119.064 -0.422 25868 2781 1 6 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.046 -0.133 25868 2782 1 6 . 1 1 35 35 LYS C C 35 179.149 179.149 178.962 0.187 25868 2783 1 6 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.236 -0.394 25868 2784 1 6 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.011 -1.297 25868 2785 1 6 . 1 1 35 35 LYS H H 35 8.573 8.573 7.841 0.732 25868 2786 1 6 . 1 1 36 36 ASN N N 36 119.047 119.047 117.329 1.718 25868 2787 1 6 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.463 -0.155 25868 2788 1 6 . 1 1 36 36 ASN C C 36 179.782 179.782 177.273 2.509 25868 2789 1 6 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.608 0.050 25868 2790 1 6 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.396 -0.204 25868 2791 1 6 . 1 1 36 36 ASN H H 36 8.348 8.348 8.002 0.346 25868 2792 1 6 . 1 1 37 37 LYS N N 37 121.477 121.477 119.036 2.441 25868 2793 1 6 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.063 0.021 25868 2794 1 6 . 1 1 37 37 LYS C C 37 177.938 177.938 178.571 -0.633 25868 2795 1 6 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.645 0.645 25868 2796 1 6 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.457 -0.248 25868 2797 1 6 . 1 1 37 37 LYS H H 37 7.956 7.956 7.529 0.426 25868 2798 1 6 . 1 1 38 38 MET N N 38 114.976 114.976 115.854 -0.878 25868 2799 1 6 . 1 1 38 38 MET HA H 38 4.519 4.519 4.425 0.094 25868 2800 1 6 . 1 1 38 38 MET C C 38 175.847 175.847 176.862 -1.015 25868 2801 1 6 . 1 1 38 38 MET CA C 38 55.264 55.264 55.916 -0.652 25868 2802 1 6 . 1 1 38 38 MET CB C 38 33.388 33.388 33.025 0.363 25868 2803 1 6 . 1 1 38 38 MET H H 38 7.394 7.394 7.614 -0.220 25868 2804 1 6 . 1 1 39 39 GLY N N 39 107.575 107.575 107.555 0.020 25868 2805 1 6 . 1 1 39 39 GLY C C 39 174.994 174.994 174.525 0.469 25868 2806 1 6 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.221 0.530 25868 2807 1 6 . 1 1 39 39 GLY H H 39 7.906 7.906 7.591 0.315 25868 2808 1 6 . 1 1 40 40 LYS N N 40 122.563 122.563 123.329 -0.766 25868 2809 1 6 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.345 0.391 25868 2810 1 6 . 1 1 40 40 LYS C C 40 175.847 175.847 175.329 0.518 25868 2811 1 6 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.066 -1.686 25868 2812 1 6 . 1 1 40 40 LYS CB C 40 30.422 30.422 31.201 -0.779 25868 2813 1 6 . 1 1 40 40 LYS H H 40 7.958 7.958 7.744 0.214 25868 2814 1 6 . 1 1 41 41 ALA N N 41 123.662 123.662 124.986 -1.324 25868 2815 1 6 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.269 -0.134 25868 2816 1 6 . 1 1 41 41 ALA C C 41 178.736 178.736 178.677 0.059 25868 2817 1 6 . 1 1 41 41 ALA CA C 41 55.729 55.729 53.590 2.139 25868 2818 1 6 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.934 1.032 25868 2819 1 6 . 1 1 41 41 ALA H H 41 7.487 7.487 8.040 -0.553 25868 2820 1 6 . 1 1 42 42 ARG N N 42 118.612 118.612 119.427 -0.815 25868 2821 1 6 . 1 1 42 42 ARG HA H 42 4.000 4.000 3.950 0.050 25868 2822 1 6 . 1 1 42 42 ARG C C 42 178.901 178.901 177.946 0.955 25868 2823 1 6 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.857 -1.060 25868 2824 1 6 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.780 -0.906 25868 2825 1 6 . 1 1 42 42 ARG H H 42 8.864 8.864 8.587 0.277 25868 2826 1 6 . 1 1 43 43 GLU N N 43 120.194 120.194 119.773 0.421 25868 2827 1 6 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.780 0.343 25868 2828 1 6 . 1 1 43 43 GLU C C 43 178.901 178.901 178.048 0.853 25868 2829 1 6 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.189 0.249 25868 2830 1 6 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.936 0.998 25868 2831 1 6 . 1 1 43 43 GLU H H 43 8.062 8.062 8.335 -0.273 25868 2832 1 6 . 1 1 44 44 ALA N N 44 121.369 121.369 122.026 -0.657 25868 2833 1 6 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.724 -0.151 25868 2834 1 6 . 1 1 44 44 ALA C C 44 177.911 177.911 178.624 -0.713 25868 2835 1 6 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.977 0.785 25868 2836 1 6 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.118 0.430 25868 2837 1 6 . 1 1 44 44 ALA H H 44 8.627 8.627 7.863 0.764 25868 2838 1 6 . 1 1 45 45 ALA N N 45 117.108 117.108 121.202 -4.094 25868 2839 1 6 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.058 0.027 25868 2840 1 6 . 1 1 45 45 ALA C C 45 178.078 178.078 179.525 -1.447 25868 2841 1 6 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.151 0.425 25868 2842 1 6 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.540 -1.100 25868 2843 1 6 . 1 1 45 45 ALA H H 45 8.310 8.310 7.539 0.771 25868 2844 1 6 . 1 1 46 46 GLU N N 46 115.941 115.941 117.849 -1.908 25868 2845 1 6 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.138 -0.219 25868 2846 1 6 . 1 1 46 46 GLU C C 46 179.341 179.341 178.923 0.418 25868 2847 1 6 . 1 1 46 46 GLU CA C 46 59.757 59.757 58.633 1.124 25868 2848 1 6 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.201 -0.064 25868 2849 1 6 . 1 1 46 46 GLU H H 46 7.451 7.451 7.870 -0.419 25868 2850 1 6 . 1 1 47 47 TYR N N 47 117.925 117.925 119.905 -1.980 25868 2851 1 6 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.255 -0.410 25868 2852 1 6 . 1 1 47 47 TYR C C 47 178.544 178.544 178.483 0.061 25868 2853 1 6 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.224 4.440 25868 2854 1 6 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.008 -0.695 25868 2855 1 6 . 1 1 47 47 TYR H H 47 7.746 7.746 7.510 0.236 25868 2856 1 6 . 1 1 48 48 PHE N N 48 118.758 118.758 118.307 0.451 25868 2857 1 6 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.466 0.282 25868 2858 1 6 . 1 1 48 48 PHE C C 48 178.227 178.227 178.138 0.089 25868 2859 1 6 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.786 -0.233 25868 2860 1 6 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.110 0.039 25868 2861 1 6 . 1 1 48 48 PHE H H 48 9.054 9.054 8.185 0.869 25868 2862 1 6 . 1 1 49 49 PHE N N 49 120.234 120.234 121.914 -1.680 25868 2863 1 6 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.349 0.149 25868 2864 1 6 . 1 1 49 49 PHE C C 49 176.645 176.645 177.188 -0.543 25868 2865 1 6 . 1 1 49 49 PHE CA C 49 61.221 61.221 60.915 0.306 25868 2866 1 6 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.197 1.092 25868 2867 1 6 . 1 1 49 49 PHE H H 49 8.981 8.981 8.212 0.769 25868 2868 1 6 . 1 1 50 50 ARG N N 50 117.925 117.925 118.498 -0.573 25868 2869 1 6 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.800 -0.020 25868 2870 1 6 . 1 1 50 50 ARG C C 50 179.369 179.369 178.589 0.780 25868 2871 1 6 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.428 0.401 25868 2872 1 6 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.951 0.572 25868 2873 1 6 . 1 1 50 50 ARG H H 50 8.450 8.450 8.516 -0.066 25868 2874 1 6 . 1 1 51 51 ALA N N 51 120.897 120.897 121.817 -0.920 25868 2875 1 6 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.924 -0.208 25868 2876 1 6 . 1 1 51 51 ALA C C 51 177.085 177.085 178.510 -1.425 25868 2877 1 6 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.586 0.512 25868 2878 1 6 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.260 -0.994 25868 2879 1 6 . 1 1 51 51 ALA H H 51 8.697 8.697 7.775 0.922 25868 2880 1 6 . 1 1 52 52 ALA N N 52 120.007 120.007 120.885 -0.878 25868 2881 1 6 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.109 -0.040 25868 2882 1 6 . 1 1 52 52 ALA C C 52 178.067 178.067 179.655 -1.588 25868 2883 1 6 . 1 1 52 52 ALA CA C 52 56.108 56.108 54.860 1.248 25868 2884 1 6 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.587 -1.334 25868 2885 1 6 . 1 1 52 52 ALA H H 52 8.483 8.483 7.605 0.878 25868 2886 1 6 . 1 1 53 53 ILE N N 53 116.864 116.864 119.708 -2.844 25868 2887 1 6 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.131 0.052 25868 2888 1 6 . 1 1 53 53 ILE C C 53 178.323 178.323 177.506 0.817 25868 2889 1 6 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.289 0.476 25868 2890 1 6 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.558 0.918 25868 2891 1 6 . 1 1 53 53 ILE H H 53 8.033 8.033 8.016 0.017 25868 2892 1 6 . 1 1 54 54 VAL N N 54 119.604 119.604 118.992 0.612 25868 2893 1 6 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.597 -0.106 25868 2894 1 6 . 1 1 54 54 VAL C C 54 178.200 178.200 178.521 -0.321 25868 2895 1 6 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.659 0.717 25868 2896 1 6 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.688 0.720 25868 2897 1 6 . 1 1 54 54 VAL H H 54 7.126 7.126 7.254 -0.128 25868 2898 1 6 . 1 1 55 55 PHE N N 55 118.386 118.386 119.013 -0.627 25868 2899 1 6 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.159 0.377 25868 2900 1 6 . 1 1 55 55 PHE C C 55 178.571 178.571 177.948 0.623 25868 2901 1 6 . 1 1 55 55 PHE CA C 55 59.487 59.487 59.813 -0.326 25868 2902 1 6 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.331 0.826 25868 2903 1 6 . 1 1 55 55 PHE H H 55 9.061 9.061 7.877 1.184 25868 2904 1 6 . 1 1 56 56 TYR N N 56 119.488 119.488 121.564 -2.076 25868 2905 1 6 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.992 0.359 25868 2906 1 6 . 1 1 56 56 TYR C C 56 178.871 178.871 177.320 1.551 25868 2907 1 6 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.703 -1.209 25868 2908 1 6 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.120 -0.317 25868 2909 1 6 . 1 1 56 56 TYR H H 56 8.975 8.975 8.098 0.877 25868 2910 1 6 . 1 1 57 57 LYS N N 57 121.083 121.083 116.646 4.437 25868 2911 1 6 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.736 -0.273 25868 2912 1 6 . 1 1 57 57 LYS C C 57 178.103 178.103 177.989 0.114 25868 2913 1 6 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.251 0.594 25868 2914 1 6 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.014 -0.289 25868 2915 1 6 . 1 1 57 57 LYS H H 57 7.753 7.753 7.707 0.046 25868 2916 1 6 . 1 1 58 58 GLU N N 58 114.098 114.098 115.202 -1.104 25868 2917 1 6 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.328 -0.171 25868 2918 1 6 . 1 1 58 58 GLU C C 58 175.655 175.655 176.419 -0.764 25868 2919 1 6 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.928 -0.794 25868 2920 1 6 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.303 -0.663 25868 2921 1 6 . 1 1 58 58 GLU H H 58 7.849 7.849 7.585 0.264 25868 2922 1 6 . 1 1 59 59 HIS N N 59 115.781 115.781 115.147 0.634 25868 2923 1 6 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.330 -0.120 25868 2924 1 6 . 1 1 59 59 HIS C C 59 173.784 173.784 173.865 -0.081 25868 2925 1 6 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.736 -0.325 25868 2926 1 6 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.745 -0.907 25868 2927 1 6 . 1 1 59 59 HIS H H 59 7.659 7.659 7.697 -0.038 25868 2928 1 6 . 1 1 60 60 ASP N N 60 118.780 118.780 121.325 -2.545 25868 2929 1 6 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.938 -0.079 25868 2930 1 6 . 1 1 60 60 ASP C C 60 175.847 175.847 176.297 -0.450 25868 2931 1 6 . 1 1 60 60 ASP CA C 60 51.803 51.803 51.931 -0.128 25868 2932 1 6 . 1 1 60 60 ASP CB C 60 40.131 40.131 41.032 -0.901 25868 2933 1 6 . 1 1 60 60 ASP H H 60 8.660 8.660 8.125 0.535 25868 2934 1 6 . 1 1 61 61 THR N N 61 118.884 118.884 120.220 -1.336 25868 2935 1 6 . 1 1 61 61 THR HA H 61 3.763 3.763 4.101 -0.338 25868 2936 1 6 . 1 1 61 61 THR C C 61 175.886 175.886 175.799 0.087 25868 2937 1 6 . 1 1 61 61 THR CA C 61 66.159 66.159 65.826 0.333 25868 2938 1 6 . 1 1 61 61 THR CB C 61 68.168 68.168 68.796 -0.628 25868 2939 1 6 . 1 1 61 61 THR H H 61 7.955 7.955 8.587 -0.632 25868 2940 1 6 . 1 1 62 62 ASP N N 62 121.668 121.668 121.399 0.269 25868 2941 1 6 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.312 -0.050 25868 2942 1 6 . 1 1 62 62 ASP C C 62 178.461 178.461 178.128 0.333 25868 2943 1 6 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.346 0.103 25868 2944 1 6 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.388 0.547 25868 2945 1 6 . 1 1 62 62 ASP H H 62 8.298 8.298 8.332 -0.034 25868 2946 1 6 . 1 1 63 63 GLY N N 63 109.003 109.003 107.043 1.960 25868 2947 1 6 . 1 1 63 63 GLY C C 63 175.517 175.517 175.746 -0.229 25868 2948 1 6 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.030 0.029 25868 2949 1 6 . 1 1 63 63 GLY H H 63 8.018 8.018 7.440 0.578 25868 2950 1 6 . 1 1 64 64 LEU N N 64 122.504 122.504 123.043 -0.539 25868 2951 1 6 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.349 -0.267 25868 2952 1 6 . 1 1 64 64 LEU C C 64 177.333 177.333 178.384 -1.051 25868 2953 1 6 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.664 0.829 25868 2954 1 6 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.961 0.146 25868 2955 1 6 . 1 1 64 64 LEU H H 64 8.073 8.073 8.092 -0.019 25868 2956 1 6 . 1 1 65 65 ARG N N 65 118.626 118.626 118.535 0.091 25868 2957 1 6 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.925 -0.033 25868 2958 1 6 . 1 1 65 65 ARG C C 65 179.045 179.045 178.368 0.677 25868 2959 1 6 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.990 -0.135 25868 2960 1 6 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.092 -0.157 25868 2961 1 6 . 1 1 65 65 ARG H H 65 8.491 8.491 8.032 0.459 25868 2962 1 6 . 1 1 66 66 ARG N N 66 119.009 119.009 119.374 -0.365 25868 2963 1 6 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.034 -0.067 25868 2964 1 6 . 1 1 66 66 ARG C C 66 178.943 178.943 178.266 0.677 25868 2965 1 6 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.049 0.164 25868 2966 1 6 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.886 -0.335 25868 2967 1 6 . 1 1 66 66 ARG H H 66 7.601 7.601 7.423 0.178 25868 2968 1 6 . 1 1 67 67 ALA N N 67 122.174 122.174 121.836 0.338 25868 2969 1 6 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.485 -0.308 25868 2970 1 6 . 1 1 67 67 ALA C C 67 178.654 178.654 179.389 -0.735 25868 2971 1 6 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.606 1.488 25868 2972 1 6 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.709 -0.830 25868 2973 1 6 . 1 1 67 67 ALA H H 67 8.681 8.681 8.184 0.497 25868 2974 1 6 . 1 1 68 68 ALA N N 68 119.208 119.208 121.660 -2.452 25868 2975 1 6 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.018 -0.067 25868 2976 1 6 . 1 1 68 68 ALA C C 68 179.562 179.562 179.354 0.208 25868 2977 1 6 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.209 0.356 25868 2978 1 6 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.351 -0.510 25868 2979 1 6 . 1 1 68 68 ALA H H 68 9.060 9.060 8.298 0.762 25868 2980 1 6 . 1 1 69 69 LYS N N 69 119.434 119.434 119.050 0.384 25868 2981 1 6 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.079 -0.089 25868 2982 1 6 . 1 1 69 69 LYS C C 69 178.929 178.929 178.556 0.373 25868 2983 1 6 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.675 0.860 25868 2984 1 6 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.214 -0.103 25868 2985 1 6 . 1 1 69 69 LYS H H 69 7.997 7.997 8.221 -0.224 25868 2986 1 6 . 1 1 70 70 SER N N 70 116.406 116.406 115.628 0.778 25868 2987 1 6 . 1 1 70 70 SER HA H 70 3.908 3.908 4.121 -0.213 25868 2988 1 6 . 1 1 70 70 SER C C 70 175.957 175.957 176.850 -0.893 25868 2989 1 6 . 1 1 70 70 SER CA C 70 62.776 62.776 61.071 1.705 25868 2990 1 6 . 1 1 70 70 SER CB C 70 60.389 60.389 62.123 -1.734 25868 2991 1 6 . 1 1 70 70 SER H H 70 8.105 8.105 7.759 0.346 25868 2992 1 6 . 1 1 71 71 LEU N N 71 123.712 123.712 124.039 -0.327 25868 2993 1 6 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.347 -0.266 25868 2994 1 6 . 1 1 71 71 LEU C C 71 176.893 176.893 178.583 -1.690 25868 2995 1 6 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.055 0.922 25868 2996 1 6 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.038 0.406 25868 2997 1 6 . 1 1 71 71 LEU H H 71 8.315 8.315 8.070 0.245 25868 2998 1 6 . 1 1 72 72 LYS N N 72 117.431 117.431 118.419 -0.988 25868 2999 1 6 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.978 -0.116 25868 3000 1 6 . 1 1 72 72 LYS C C 72 179.617 179.617 179.054 0.563 25868 3001 1 6 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.036 0.504 25868 3002 1 6 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.056 -0.066 25868 3003 1 6 . 1 1 72 72 LYS H H 72 7.785 7.785 7.693 0.092 25868 3004 1 6 . 1 1 73 73 GLU N N 73 117.402 117.402 118.700 -1.298 25868 3005 1 6 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.192 -0.173 25868 3006 1 6 . 1 1 73 73 GLU C C 73 178.475 178.475 178.893 -0.418 25868 3007 1 6 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.602 0.043 25868 3008 1 6 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.148 0.261 25868 3009 1 6 . 1 1 73 73 GLU H H 73 7.920 7.920 8.230 -0.310 25868 3010 1 6 . 1 1 74 74 ALA N N 74 122.211 122.211 122.504 -0.293 25868 3011 1 6 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.208 0.111 25868 3012 1 6 . 1 1 74 74 ALA C C 74 178.839 178.839 179.245 -0.406 25868 3013 1 6 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.731 -0.353 25868 3014 1 6 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.663 -1.133 25868 3015 1 6 . 1 1 74 74 ALA H H 74 8.010 8.010 7.794 0.216 25868 3016 1 6 . 1 1 75 75 ILE N N 75 113.486 113.486 118.471 -4.985 25868 3017 1 6 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.701 -0.286 25868 3018 1 6 . 1 1 75 75 ILE C C 75 177.333 177.333 178.010 -0.677 25868 3019 1 6 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.740 2.074 25868 3020 1 6 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.822 1.375 25868 3021 1 6 . 1 1 75 75 ILE H H 75 7.405 7.405 7.733 -0.328 25868 3022 1 6 . 1 1 76 76 THR N N 76 105.977 105.977 110.830 -4.853 25868 3023 1 6 . 1 1 76 76 THR HA H 76 3.963 3.963 4.029 -0.066 25868 3024 1 6 . 1 1 76 76 THR C C 76 174.609 174.609 176.158 -1.549 25868 3025 1 6 . 1 1 76 76 THR CA C 76 63.773 63.773 65.247 -1.474 25868 3026 1 6 . 1 1 76 76 THR CB C 76 68.757 68.757 68.808 -0.051 25868 3027 1 6 . 1 1 76 76 THR H H 76 7.217 7.217 7.499 -0.282 25868 3028 1 6 . 1 1 77 77 ALA N N 77 122.534 122.534 123.782 -1.248 25868 3029 1 6 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.373 0.044 25868 3030 1 6 . 1 1 77 77 ALA C C 77 177.085 177.085 177.890 -0.805 25868 3031 1 6 . 1 1 77 77 ALA CA C 77 51.628 51.628 52.306 -0.678 25868 3032 1 6 . 1 1 77 77 ALA CB C 77 19.781 19.781 18.907 0.874 25868 3033 1 6 . 1 1 77 77 ALA H H 77 7.486 7.486 7.278 0.208 25868 3034 1 6 . 1 1 78 78 ILE N N 78 123.223 123.223 122.363 0.860 25868 3035 1 6 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.153 0.059 25868 3036 1 6 . 1 1 78 78 ILE C C 78 174.939 174.939 174.358 0.581 25868 3037 1 6 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.764 0.034 25868 3038 1 6 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.807 1.809 25868 3039 1 6 . 1 1 78 78 ILE H H 78 7.428 7.428 7.291 0.137 25868 3040 1 6 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.539 -0.101 25868 3041 1 6 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.704 1.381 25868 3042 1 6 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.596 -0.287 25868 3043 1 6 . 1 1 83 83 GLY N N 83 105.726 105.726 108.143 -2.417 25868 3044 1 6 . 1 1 83 83 GLY C C 83 175.765 175.765 175.710 0.055 25868 3045 1 6 . 1 1 83 83 GLY CA C 83 46.491 46.491 46.395 0.096 25868 3046 1 6 . 1 1 83 83 GLY H H 83 7.613 7.613 8.909 -1.296 25868 3047 1 6 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.163 -0.279 25868 3048 1 6 . 1 1 84 84 ARG CA C 84 60.321 60.321 57.469 2.852 25868 3049 1 6 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.106 0.721 25868 3050 1 6 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.284 -0.300 25868 3051 1 6 . 1 1 86 86 GLU C C 86 179.163 179.163 177.555 1.608 25868 3052 1 6 . 1 1 86 86 GLU CA C 86 59.196 59.196 57.247 1.949 25868 3053 1 6 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.991 -1.063 25868 3054 1 6 . 1 1 86 86 GLU H H 86 7.965 7.965 8.070 -0.105 25868 3055 1 6 . 1 1 87 87 ALA N N 87 122.092 122.092 122.607 -0.515 25868 3056 1 6 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.001 0.198 25868 3057 1 6 . 1 1 87 87 ALA C C 87 178.980 178.980 179.064 -0.084 25868 3058 1 6 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.515 0.154 25868 3059 1 6 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.127 0.286 25868 3060 1 6 . 1 1 87 87 ALA H H 87 8.108 8.108 8.222 -0.114 25868 3061 1 6 . 1 1 88 88 LYS N N 88 118.808 118.808 118.735 0.073 25868 3062 1 6 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.901 -0.009 25868 3063 1 6 . 1 1 88 88 LYS C C 88 179.341 179.341 178.174 1.167 25868 3064 1 6 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.500 0.503 25868 3065 1 6 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.228 -0.002 25868 3066 1 6 . 1 1 88 88 LYS H H 88 8.501 8.501 7.779 0.722 25868 3067 1 6 . 1 1 89 89 GLU N N 89 119.454 119.454 118.195 1.259 25868 3068 1 6 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.982 0.013 25868 3069 1 6 . 1 1 89 89 GLU C C 89 179.017 179.017 178.808 0.209 25868 3070 1 6 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.797 0.146 25868 3071 1 6 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.920 -0.088 25868 3072 1 6 . 1 1 89 89 GLU H H 89 7.544 7.544 7.712 -0.168 25868 3073 1 6 . 1 1 90 90 MET N N 90 119.262 119.262 118.314 0.948 25868 3074 1 6 . 1 1 90 90 MET HA H 90 3.284 3.284 3.395 -0.111 25868 3075 1 6 . 1 1 90 90 MET C C 90 177.003 177.003 177.881 -0.878 25868 3076 1 6 . 1 1 90 90 MET CA C 90 59.168 59.168 58.194 0.974 25868 3077 1 6 . 1 1 90 90 MET CB C 90 33.468 33.468 31.657 1.811 25868 3078 1 6 . 1 1 90 90 MET H H 90 7.600 7.600 7.180 0.420 25868 3079 1 6 . 1 1 91 91 ALA N N 91 120.041 120.041 122.238 -2.197 25868 3080 1 6 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.961 -0.093 25868 3081 1 6 . 1 1 91 91 ALA C C 91 179.039 179.039 179.126 -0.087 25868 3082 1 6 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.283 -0.253 25868 3083 1 6 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.056 0.028 25868 3084 1 6 . 1 1 91 91 ALA H H 91 8.212 8.212 7.674 0.538 25868 3085 1 6 . 1 1 92 92 LYS N N 92 118.442 118.442 118.996 -0.554 25868 3086 1 6 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.990 -0.068 25868 3087 1 6 . 1 1 92 92 LYS C C 92 178.874 178.874 178.762 0.112 25868 3088 1 6 . 1 1 92 92 LYS CA C 92 59.121 59.121 58.632 0.489 25868 3089 1 6 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.962 0.281 25868 3090 1 6 . 1 1 92 92 LYS H H 92 7.819 7.819 7.977 -0.158 25868 3091 1 6 . 1 1 93 93 LYS N N 93 119.228 119.228 118.575 0.653 25868 3092 1 6 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.678 -0.101 25868 3093 1 6 . 1 1 93 93 LYS C C 93 176.618 176.618 178.328 -1.710 25868 3094 1 6 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.553 -0.427 25868 3095 1 6 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.766 -0.621 25868 3096 1 6 . 1 1 93 93 LYS H H 93 7.449 7.449 7.521 -0.072 25868 3097 1 6 . 1 1 94 94 ALA N N 94 117.825 117.825 121.135 -3.310 25868 3098 1 6 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.839 -0.058 25868 3099 1 6 . 1 1 94 94 ALA C C 94 178.736 178.736 179.565 -0.829 25868 3100 1 6 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.126 -0.248 25868 3101 1 6 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.504 -1.261 25868 3102 1 6 . 1 1 94 94 ALA H H 94 7.698 7.698 7.795 -0.097 25868 3103 1 6 . 1 1 95 95 GLU N N 95 115.361 115.361 117.564 -2.203 25868 3104 1 6 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.012 -0.103 25868 3105 1 6 . 1 1 95 95 GLU C C 95 178.984 178.984 179.127 -0.143 25868 3106 1 6 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.172 0.208 25868 3107 1 6 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.450 0.026 25868 3108 1 6 . 1 1 95 95 GLU H H 95 7.907 7.907 7.838 0.069 25868 3109 1 6 . 1 1 96 96 GLU N N 96 121.608 121.608 120.248 1.360 25868 3110 1 6 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.086 -0.137 25868 3111 1 6 . 1 1 96 96 GLU C C 96 180.249 180.249 179.092 1.157 25868 3112 1 6 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.204 -0.007 25868 3113 1 6 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.096 -0.216 25868 3114 1 6 . 1 1 96 96 GLU H H 96 7.815 7.815 8.043 -0.228 25868 3115 1 6 . 1 1 97 97 TRP N N 97 122.511 122.511 119.674 2.837 25868 3116 1 6 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.210 0.188 25868 3117 1 6 . 1 1 97 97 TRP C C 97 178.007 178.007 178.922 -0.915 25868 3118 1 6 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.663 -0.927 25868 3119 1 6 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.311 -0.333 25868 3120 1 6 . 1 1 97 97 TRP H H 97 8.069 8.069 8.044 0.025 25868 3121 1 6 . 1 1 98 98 LEU N N 98 119.235 119.235 121.390 -2.155 25868 3122 1 6 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.023 0.060 25868 3123 1 6 . 1 1 98 98 LEU C C 98 178.599 178.599 178.798 -0.199 25868 3124 1 6 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.538 -0.884 25868 3125 1 6 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.659 0.306 25868 3126 1 6 . 1 1 98 98 LEU H H 98 8.077 8.077 7.831 0.246 25868 3127 1 6 . 1 1 99 99 GLN N N 99 117.609 117.609 117.009 0.600 25868 3128 1 6 . 1 1 99 99 GLN HA H 99 4.116 4.116 3.995 0.121 25868 3129 1 6 . 1 1 99 99 GLN C C 99 177.636 177.636 177.404 0.232 25868 3130 1 6 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.428 -0.708 25868 3131 1 6 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.650 -0.404 25868 3132 1 6 . 1 1 99 99 GLN H H 99 8.077 8.077 7.878 0.199 25868 3133 1 6 . 1 1 100 100 ALA N N 100 122.106 122.106 120.527 1.579 25868 3134 1 6 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.211 0.094 25868 3135 1 6 . 1 1 100 100 ALA C C 100 179.424 179.424 179.251 0.173 25868 3136 1 6 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.582 -0.529 25868 3137 1 6 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.961 -0.408 25868 3138 1 6 . 1 1 100 100 ALA H H 100 7.944 7.944 7.653 0.291 25868 3139 1 6 . 1 1 101 101 GLU N N 101 117.817 117.817 116.603 1.214 25868 3140 1 6 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.381 -0.025 25868 3141 1 6 . 1 1 101 101 GLU C C 101 177.415 177.415 177.345 0.070 25868 3142 1 6 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.555 -0.542 25868 3143 1 6 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.447 -0.048 25868 3144 1 6 . 1 1 101 101 GLU H H 101 8.162 8.162 7.781 0.381 25868 3145 1 6 . 1 1 102 102 GLN N N 102 118.194 118.194 119.544 -1.350 25868 3146 1 6 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.274 0.060 25868 3147 1 6 . 1 1 102 102 GLN C C 102 175.755 175.755 175.801 -0.046 25868 3148 1 6 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.368 0.959 25868 3149 1 6 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.555 1.739 25868 3150 1 6 . 1 1 102 102 GLN H H 102 8.094 8.094 7.592 0.502 25868 3151 1 6 . 1 1 103 103 ASN N N 103 119.032 119.032 122.273 -3.241 25868 3152 1 6 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.683 0.107 25868 3153 1 6 . 1 1 103 103 ASN C C 103 173.949 173.949 174.919 -0.970 25868 3154 1 6 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.944 -0.916 25868 3155 1 6 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.117 -0.067 25868 3156 1 6 . 1 1 103 103 ASN H H 103 8.149 8.149 8.396 -0.247 25868 3157 1 7 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.656 -0.082 25868 3158 1 7 . 1 1 2 2 ASP C C 2 176.630 176.630 177.026 -0.396 25868 3159 1 7 . 1 1 2 2 ASP CA C 2 55.042 55.042 53.967 1.075 25868 3160 1 7 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.561 -0.660 25868 3161 1 7 . 1 1 3 3 GLU N N 3 121.683 121.683 121.919 -0.236 25868 3162 1 7 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.012 0.168 25868 3163 1 7 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.809 -1.913 25868 3164 1 7 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.184 0.223 25868 3165 1 7 . 1 1 3 3 GLU H H 3 8.889 8.889 8.539 0.350 25868 3166 1 7 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.629 -0.184 25868 3167 1 7 . 1 1 4 4 ASN C C 4 176.095 176.095 177.484 -1.389 25868 3168 1 7 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.699 -1.054 25868 3169 1 7 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.363 -0.557 25868 3170 1 7 . 1 1 5 5 ILE N N 5 119.355 119.355 120.553 -1.198 25868 3171 1 7 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.981 -0.104 25868 3172 1 7 . 1 1 5 5 ILE CA C 5 64.081 64.081 62.584 1.496 25868 3173 1 7 . 1 1 5 5 ILE CB C 5 37.691 37.691 36.405 1.286 25868 3174 1 7 . 1 1 5 5 ILE H H 5 8.018 8.018 8.004 0.014 25868 3175 1 7 . 1 1 6 6 ALA N N 6 123.430 123.430 121.657 1.773 25868 3176 1 7 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.344 -0.095 25868 3177 1 7 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.768 -0.597 25868 3178 1 7 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.310 -0.066 25868 3179 1 7 . 1 1 6 6 ALA H H 6 8.041 8.041 7.812 0.229 25868 3180 1 7 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.028 0.002 25868 3181 1 7 . 1 1 7 7 LYS C C 7 178.778 178.778 179.130 -0.352 25868 3182 1 7 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.794 -0.040 25868 3183 1 7 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.305 -0.292 25868 3184 1 7 . 1 1 8 8 PHE N N 8 120.439 120.439 117.902 2.537 25868 3185 1 7 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.363 0.311 25868 3186 1 7 . 1 1 8 8 PHE C C 8 177.470 177.470 177.651 -0.181 25868 3187 1 7 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.664 -1.509 25868 3188 1 7 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.740 0.536 25868 3189 1 7 . 1 1 8 8 PHE H H 8 7.908 7.908 7.594 0.314 25868 3190 1 7 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.149 -0.020 25868 3191 1 7 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.003 0.109 25868 3192 1 7 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.151 0.643 25868 3193 1 7 . 1 1 11 11 ALA N N 11 122.712 122.712 119.935 2.777 25868 3194 1 7 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.184 0.022 25868 3195 1 7 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.930 0.240 25868 3196 1 7 . 1 1 11 11 ALA CB C 11 18.261 18.261 18.769 -0.508 25868 3197 1 7 . 1 1 11 11 ALA H H 11 7.945 7.945 7.415 0.530 25868 3198 1 7 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.341 -0.220 25868 3199 1 7 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.653 0.513 25868 3200 1 7 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.032 -2.031 25868 3201 1 7 . 1 1 13 13 LYS N N 13 120.452 120.452 118.935 1.517 25868 3202 1 7 . 1 1 13 13 LYS HA H 13 4.040 4.040 3.934 0.106 25868 3203 1 7 . 1 1 13 13 LYS CA C 13 57.813 57.813 56.941 0.872 25868 3204 1 7 . 1 1 13 13 LYS CB C 13 32.327 32.327 30.412 1.915 25868 3205 1 7 . 1 1 13 13 LYS H H 13 8.017 8.017 7.969 0.048 25868 3206 1 7 . 1 1 14 14 LYS HA H 14 4.154 4.154 3.862 0.292 25868 3207 1 7 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.810 0.865 25868 3208 1 7 . 1 1 14 14 LYS CB C 14 32.196 32.196 32.054 0.141 25868 3209 1 7 . 1 1 14 14 LYS H H 14 8.011 8.011 8.043 -0.032 25868 3210 1 7 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.107 0.165 25868 3211 1 7 . 1 1 15 15 ALA C C 15 179.056 179.056 177.429 1.627 25868 3212 1 7 . 1 1 15 15 ALA CA C 15 53.971 53.971 54.176 -0.205 25868 3213 1 7 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.253 -0.569 25868 3214 1 7 . 1 1 16 16 GLU N N 16 120.136 120.136 116.707 3.429 25868 3215 1 7 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.465 -0.250 25868 3216 1 7 . 1 1 16 16 GLU C C 16 179.176 179.176 174.489 4.687 25868 3217 1 7 . 1 1 16 16 GLU CA C 16 58.499 58.499 56.407 2.092 25868 3218 1 7 . 1 1 16 16 GLU CB C 16 29.915 29.915 32.472 -2.557 25868 3219 1 7 . 1 1 16 16 GLU H H 16 8.599 8.599 8.601 -0.002 25868 3220 1 7 . 1 1 17 17 GLU N N 17 120.683 120.683 119.153 1.530 25868 3221 1 7 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.452 -0.378 25868 3222 1 7 . 1 1 17 17 GLU CA C 17 58.104 58.104 55.660 2.445 25868 3223 1 7 . 1 1 17 17 GLU CB C 17 29.718 29.718 31.858 -2.140 25868 3224 1 7 . 1 1 17 17 GLU H H 17 8.009 8.009 7.959 0.050 25868 3225 1 7 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.052 0.278 25868 3226 1 7 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.896 -0.398 25868 3227 1 7 . 1 1 18 18 LEU CB C 18 41.969 41.969 42.441 -0.472 25868 3228 1 7 . 1 1 18 18 LEU H H 18 7.614 7.614 8.440 -0.826 25868 3229 1 7 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.556 -0.147 25868 3230 1 7 . 1 1 19 19 ASN C C 19 174.609 174.609 174.372 0.237 25868 3231 1 7 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.589 0.087 25868 3232 1 7 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.167 -0.342 25868 3233 1 7 . 1 1 20 20 GLN N N 20 118.736 118.736 124.461 -5.725 25868 3234 1 7 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.593 -0.133 25868 3235 1 7 . 1 1 20 20 GLN C C 20 176.659 176.659 176.271 0.388 25868 3236 1 7 . 1 1 20 20 GLN CA C 20 54.688 54.688 54.766 -0.078 25868 3237 1 7 . 1 1 20 20 GLN CB C 20 28.164 28.164 31.261 -3.097 25868 3238 1 7 . 1 1 20 20 GLN H H 20 8.340 8.340 7.740 0.600 25868 3239 1 7 . 1 1 21 21 GLY N N 21 111.864 111.864 113.442 -1.578 25868 3240 1 7 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.736 0.317 25868 3241 1 7 . 1 1 21 21 GLY H H 21 8.455 8.455 9.044 -0.589 25868 3242 1 7 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.212 0.051 25868 3243 1 7 . 1 1 23 23 LEU C C 23 179.620 179.620 177.241 2.379 25868 3244 1 7 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.913 0.482 25868 3245 1 7 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.105 -0.554 25868 3246 1 7 . 1 1 24 24 MET N N 24 120.657 120.657 115.956 4.701 25868 3247 1 7 . 1 1 24 24 MET HA H 24 4.077 4.077 4.521 -0.444 25868 3248 1 7 . 1 1 24 24 MET CB C 24 34.035 34.035 34.595 -0.560 25868 3249 1 7 . 1 1 24 24 MET H H 24 8.219 8.219 7.269 0.950 25868 3250 1 7 . 1 1 25 25 GLY N N 25 106.956 106.956 107.504 -0.548 25868 3251 1 7 . 1 1 25 25 GLY C C 25 175.016 175.016 175.294 -0.278 25868 3252 1 7 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.436 1.335 25868 3253 1 7 . 1 1 25 25 GLY H H 25 8.589 8.589 8.595 -0.006 25868 3254 1 7 . 1 1 26 26 ARG N N 26 119.970 119.970 123.479 -3.509 25868 3255 1 7 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.435 -0.219 25868 3256 1 7 . 1 1 26 26 ARG C C 26 177.966 177.966 177.969 -0.003 25868 3257 1 7 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.114 0.613 25868 3258 1 7 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.400 -0.137 25868 3259 1 7 . 1 1 26 26 ARG H H 26 8.297 8.297 8.014 0.283 25868 3260 1 7 . 1 1 27 27 ALA N N 27 121.499 121.499 122.172 -0.673 25868 3261 1 7 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.325 -0.061 25868 3262 1 7 . 1 1 27 27 ALA C C 27 179.878 179.878 179.812 0.066 25868 3263 1 7 . 1 1 27 27 ALA CA C 27 55.700 55.700 55.006 0.694 25868 3264 1 7 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.236 0.087 25868 3265 1 7 . 1 1 27 27 ALA H H 27 7.816 7.816 8.446 -0.630 25868 3266 1 7 . 1 1 28 28 LEU N N 28 117.285 117.285 119.378 -2.093 25868 3267 1 7 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.096 -0.069 25868 3268 1 7 . 1 1 28 28 LEU C C 28 178.158 178.158 179.002 -0.844 25868 3269 1 7 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.444 0.650 25868 3270 1 7 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.780 0.474 25868 3271 1 7 . 1 1 28 28 LEU H H 28 8.066 8.066 7.805 0.261 25868 3272 1 7 . 1 1 29 29 TYR N N 29 119.594 119.594 119.987 -0.393 25868 3273 1 7 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.356 -0.362 25868 3274 1 7 . 1 1 29 29 TYR C C 29 176.382 176.382 177.717 -1.335 25868 3275 1 7 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.867 0.800 25868 3276 1 7 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.649 0.261 25868 3277 1 7 . 1 1 29 29 TYR H H 29 8.568 8.568 8.460 0.108 25868 3278 1 7 . 1 1 30 30 ASN N N 30 116.978 116.978 117.460 -0.482 25868 3279 1 7 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.390 -0.129 25868 3280 1 7 . 1 1 30 30 ASN C C 30 178.521 178.521 177.566 0.955 25868 3281 1 7 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.245 -0.321 25868 3282 1 7 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.786 -2.323 25868 3283 1 7 . 1 1 30 30 ASN H H 30 8.290 8.290 8.045 0.245 25868 3284 1 7 . 1 1 31 31 ILE N N 31 122.107 122.107 119.864 2.243 25868 3285 1 7 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.467 -0.110 25868 3286 1 7 . 1 1 31 31 ILE C C 31 178.007 178.007 177.411 0.596 25868 3287 1 7 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.815 1.382 25868 3288 1 7 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.502 0.184 25868 3289 1 7 . 1 1 31 31 ILE H H 31 8.006 8.006 8.123 -0.117 25868 3290 1 7 . 1 1 32 32 GLY N N 32 107.810 107.810 107.681 0.129 25868 3291 1 7 . 1 1 32 32 GLY C C 32 175.187 175.187 175.656 -0.469 25868 3292 1 7 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.722 1.798 25868 3293 1 7 . 1 1 32 32 GLY H H 32 7.880 7.880 7.857 0.023 25868 3294 1 7 . 1 1 33 33 LEU N N 33 120.587 120.587 121.887 -1.300 25868 3295 1 7 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.965 0.091 25868 3296 1 7 . 1 1 33 33 LEU C C 33 180.635 180.635 179.068 1.567 25868 3297 1 7 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.605 0.546 25868 3298 1 7 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.589 0.088 25868 3299 1 7 . 1 1 33 33 LEU H H 33 8.117 8.117 7.516 0.601 25868 3300 1 7 . 1 1 34 34 GLU N N 34 120.332 120.332 118.583 1.749 25868 3301 1 7 . 1 1 34 34 GLU HA H 34 3.973 3.973 3.875 0.098 25868 3302 1 7 . 1 1 34 34 GLU C C 34 179.479 179.479 179.250 0.229 25868 3303 1 7 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.013 -0.151 25868 3304 1 7 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.651 0.500 25868 3305 1 7 . 1 1 34 34 GLU H H 34 7.763 7.763 7.814 -0.051 25868 3306 1 7 . 1 1 35 35 LYS N N 35 118.642 118.642 118.963 -0.321 25868 3307 1 7 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.875 0.038 25868 3308 1 7 . 1 1 35 35 LYS C C 35 179.149 179.149 178.337 0.812 25868 3309 1 7 . 1 1 35 35 LYS CA C 35 57.842 57.842 59.601 -1.759 25868 3310 1 7 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.159 -1.445 25868 3311 1 7 . 1 1 35 35 LYS H H 35 8.573 8.573 7.940 0.633 25868 3312 1 7 . 1 1 36 36 ASN N N 36 119.047 119.047 117.622 1.425 25868 3313 1 7 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.534 -0.226 25868 3314 1 7 . 1 1 36 36 ASN C C 36 179.782 179.782 177.925 1.857 25868 3315 1 7 . 1 1 36 36 ASN CA C 36 55.659 55.659 56.062 -0.403 25868 3316 1 7 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.570 -0.378 25868 3317 1 7 . 1 1 36 36 ASN H H 36 8.348 8.348 8.073 0.275 25868 3318 1 7 . 1 1 37 37 LYS N N 37 121.477 121.477 120.775 0.702 25868 3319 1 7 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.108 -0.024 25868 3320 1 7 . 1 1 37 37 LYS C C 37 177.938 177.938 177.825 0.113 25868 3321 1 7 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.939 0.351 25868 3322 1 7 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.433 -0.224 25868 3323 1 7 . 1 1 37 37 LYS H H 37 7.956 7.956 8.004 -0.048 25868 3324 1 7 . 1 1 38 38 MET N N 38 114.976 114.976 116.887 -1.911 25868 3325 1 7 . 1 1 38 38 MET HA H 38 4.519 4.519 4.413 0.106 25868 3326 1 7 . 1 1 38 38 MET C C 38 175.847 175.847 176.399 -0.552 25868 3327 1 7 . 1 1 38 38 MET CA C 38 55.264 55.264 55.433 -0.169 25868 3328 1 7 . 1 1 38 38 MET CB C 38 33.388 33.388 32.968 0.420 25868 3329 1 7 . 1 1 38 38 MET H H 38 7.394 7.394 7.500 -0.106 25868 3330 1 7 . 1 1 39 39 GLY N N 39 107.575 107.575 107.783 -0.208 25868 3331 1 7 . 1 1 39 39 GLY C C 39 174.994 174.994 174.783 0.211 25868 3332 1 7 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.424 0.327 25868 3333 1 7 . 1 1 39 39 GLY H H 39 7.906 7.906 7.720 0.186 25868 3334 1 7 . 1 1 40 40 LYS N N 40 122.563 122.563 122.488 0.075 25868 3335 1 7 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.417 0.319 25868 3336 1 7 . 1 1 40 40 LYS C C 40 175.847 175.847 175.780 0.067 25868 3337 1 7 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.098 -0.718 25868 3338 1 7 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.273 0.149 25868 3339 1 7 . 1 1 40 40 LYS H H 40 7.958 7.958 7.992 -0.034 25868 3340 1 7 . 1 1 41 41 ALA N N 41 123.662 123.662 125.903 -2.241 25868 3341 1 7 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.110 0.025 25868 3342 1 7 . 1 1 41 41 ALA C C 41 178.736 178.736 178.700 0.036 25868 3343 1 7 . 1 1 41 41 ALA CA C 41 55.729 55.729 55.183 0.546 25868 3344 1 7 . 1 1 41 41 ALA CB C 41 19.966 19.966 19.043 0.923 25868 3345 1 7 . 1 1 41 41 ALA H H 41 7.487 7.487 7.801 -0.314 25868 3346 1 7 . 1 1 42 42 ARG N N 42 118.612 118.612 118.218 0.394 25868 3347 1 7 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.020 -0.020 25868 3348 1 7 . 1 1 42 42 ARG C C 42 178.901 178.901 178.259 0.642 25868 3349 1 7 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.027 -0.230 25868 3350 1 7 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.362 -0.488 25868 3351 1 7 . 1 1 42 42 ARG H H 42 8.864 8.864 8.679 0.185 25868 3352 1 7 . 1 1 43 43 GLU N N 43 120.194 120.194 117.861 2.333 25868 3353 1 7 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.129 -0.006 25868 3354 1 7 . 1 1 43 43 GLU C C 43 178.901 178.901 178.347 0.554 25868 3355 1 7 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.177 0.261 25868 3356 1 7 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.258 0.676 25868 3357 1 7 . 1 1 43 43 GLU H H 43 8.062 8.062 8.656 -0.594 25868 3358 1 7 . 1 1 44 44 ALA N N 44 121.369 121.369 122.587 -1.218 25868 3359 1 7 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.533 0.040 25868 3360 1 7 . 1 1 44 44 ALA C C 44 177.911 177.911 178.959 -1.048 25868 3361 1 7 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.873 0.889 25868 3362 1 7 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.079 0.469 25868 3363 1 7 . 1 1 44 44 ALA H H 44 8.627 8.627 7.533 1.094 25868 3364 1 7 . 1 1 45 45 ALA N N 45 117.108 117.108 119.775 -2.667 25868 3365 1 7 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.113 -0.028 25868 3366 1 7 . 1 1 45 45 ALA C C 45 178.078 178.078 179.631 -1.553 25868 3367 1 7 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.338 0.238 25868 3368 1 7 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.224 -0.783 25868 3369 1 7 . 1 1 45 45 ALA H H 45 8.310 8.310 7.910 0.400 25868 3370 1 7 . 1 1 46 46 GLU N N 46 115.941 115.941 119.314 -3.373 25868 3371 1 7 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.140 -0.221 25868 3372 1 7 . 1 1 46 46 GLU C C 46 179.341 179.341 179.269 0.072 25868 3373 1 7 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.481 0.276 25868 3374 1 7 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.256 -0.119 25868 3375 1 7 . 1 1 46 46 GLU H H 46 7.451 7.451 7.882 -0.431 25868 3376 1 7 . 1 1 47 47 TYR N N 47 117.925 117.925 118.855 -0.930 25868 3377 1 7 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.250 -0.405 25868 3378 1 7 . 1 1 47 47 TYR C C 47 178.544 178.544 178.635 -0.091 25868 3379 1 7 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.173 3.491 25868 3380 1 7 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.073 -0.759 25868 3381 1 7 . 1 1 47 47 TYR H H 47 7.746 7.746 7.755 -0.009 25868 3382 1 7 . 1 1 48 48 PHE N N 48 118.758 118.758 118.978 -0.220 25868 3383 1 7 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.420 0.328 25868 3384 1 7 . 1 1 48 48 PHE C C 48 178.227 178.227 178.010 0.217 25868 3385 1 7 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.988 -0.435 25868 3386 1 7 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.289 -0.140 25868 3387 1 7 . 1 1 48 48 PHE H H 48 9.054 9.054 8.437 0.617 25868 3388 1 7 . 1 1 49 49 PHE N N 49 120.234 120.234 121.786 -1.552 25868 3389 1 7 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.339 0.159 25868 3390 1 7 . 1 1 49 49 PHE C C 49 176.645 176.645 177.121 -0.476 25868 3391 1 7 . 1 1 49 49 PHE CA C 49 61.221 61.221 60.779 0.442 25868 3392 1 7 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.081 1.208 25868 3393 1 7 . 1 1 49 49 PHE H H 49 8.981 8.981 8.116 0.865 25868 3394 1 7 . 1 1 50 50 ARG N N 50 117.925 117.925 118.786 -0.861 25868 3395 1 7 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.714 0.066 25868 3396 1 7 . 1 1 50 50 ARG C C 50 179.369 179.369 178.529 0.840 25868 3397 1 7 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.560 0.269 25868 3398 1 7 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.738 0.784 25868 3399 1 7 . 1 1 50 50 ARG H H 50 8.450 8.450 8.262 0.188 25868 3400 1 7 . 1 1 51 51 ALA N N 51 120.897 120.897 121.729 -0.832 25868 3401 1 7 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.000 -0.284 25868 3402 1 7 . 1 1 51 51 ALA C C 51 177.085 177.085 179.106 -2.021 25868 3403 1 7 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.990 0.108 25868 3404 1 7 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.461 -1.195 25868 3405 1 7 . 1 1 51 51 ALA H H 51 8.697 8.697 7.933 0.764 25868 3406 1 7 . 1 1 52 52 ALA N N 52 120.007 120.007 121.540 -1.533 25868 3407 1 7 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.336 -0.267 25868 3408 1 7 . 1 1 52 52 ALA C C 52 178.067 178.067 179.948 -1.881 25868 3409 1 7 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.024 1.084 25868 3410 1 7 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.672 -1.419 25868 3411 1 7 . 1 1 52 52 ALA H H 52 8.483 8.483 7.824 0.659 25868 3412 1 7 . 1 1 53 53 ILE N N 53 116.864 116.864 119.422 -2.558 25868 3413 1 7 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.304 -0.121 25868 3414 1 7 . 1 1 53 53 ILE C C 53 178.323 178.323 177.751 0.572 25868 3415 1 7 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.261 0.504 25868 3416 1 7 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.537 0.939 25868 3417 1 7 . 1 1 53 53 ILE H H 53 8.033 8.033 8.170 -0.137 25868 3418 1 7 . 1 1 54 54 VAL N N 54 119.604 119.604 119.922 -0.318 25868 3419 1 7 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.545 -0.054 25868 3420 1 7 . 1 1 54 54 VAL C C 54 178.200 178.200 178.386 -0.186 25868 3421 1 7 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.002 0.374 25868 3422 1 7 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.777 0.631 25868 3423 1 7 . 1 1 54 54 VAL H H 54 7.126 7.126 7.421 -0.295 25868 3424 1 7 . 1 1 55 55 PHE N N 55 118.386 118.386 117.462 0.924 25868 3425 1 7 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.137 0.399 25868 3426 1 7 . 1 1 55 55 PHE C C 55 178.571 178.571 177.781 0.790 25868 3427 1 7 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.192 -1.705 25868 3428 1 7 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.742 0.415 25868 3429 1 7 . 1 1 55 55 PHE H H 55 9.061 9.061 8.031 1.030 25868 3430 1 7 . 1 1 56 56 TYR N N 56 119.488 119.488 120.709 -1.221 25868 3431 1 7 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.943 0.408 25868 3432 1 7 . 1 1 56 56 TYR C C 56 178.871 178.871 176.999 1.872 25868 3433 1 7 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.882 -1.388 25868 3434 1 7 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.231 -0.428 25868 3435 1 7 . 1 1 56 56 TYR H H 56 8.975 8.975 7.913 1.062 25868 3436 1 7 . 1 1 57 57 LYS N N 57 121.083 121.083 116.309 4.774 25868 3437 1 7 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.654 -0.191 25868 3438 1 7 . 1 1 57 57 LYS C C 57 178.103 178.103 177.745 0.358 25868 3439 1 7 . 1 1 57 57 LYS CA C 57 58.845 58.845 57.869 0.976 25868 3440 1 7 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.095 -0.370 25868 3441 1 7 . 1 1 57 57 LYS H H 57 7.753 7.753 7.627 0.126 25868 3442 1 7 . 1 1 58 58 GLU N N 58 114.098 114.098 117.786 -3.688 25868 3443 1 7 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.268 -0.111 25868 3444 1 7 . 1 1 58 58 GLU C C 58 175.655 175.655 176.619 -0.964 25868 3445 1 7 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.100 -0.966 25868 3446 1 7 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.018 -0.378 25868 3447 1 7 . 1 1 58 58 GLU H H 58 7.849 7.849 7.992 -0.143 25868 3448 1 7 . 1 1 59 59 HIS N N 59 115.781 115.781 113.802 1.979 25868 3449 1 7 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.429 -0.219 25868 3450 1 7 . 1 1 59 59 HIS C C 59 173.784 173.784 174.420 -0.636 25868 3451 1 7 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.905 -0.494 25868 3452 1 7 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.125 -1.287 25868 3453 1 7 . 1 1 59 59 HIS H H 59 7.659 7.659 7.351 0.308 25868 3454 1 7 . 1 1 60 60 ASP N N 60 118.780 118.780 120.335 -1.555 25868 3455 1 7 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.747 0.112 25868 3456 1 7 . 1 1 60 60 ASP C C 60 175.847 175.847 176.891 -1.044 25868 3457 1 7 . 1 1 60 60 ASP CA C 60 51.803 51.803 52.960 -1.157 25868 3458 1 7 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.636 -0.505 25868 3459 1 7 . 1 1 60 60 ASP H H 60 8.660 8.660 8.217 0.443 25868 3460 1 7 . 1 1 61 61 THR N N 61 118.884 118.884 121.126 -2.242 25868 3461 1 7 . 1 1 61 61 THR HA H 61 3.763 3.763 4.052 -0.289 25868 3462 1 7 . 1 1 61 61 THR C C 61 175.886 175.886 176.108 -0.222 25868 3463 1 7 . 1 1 61 61 THR CA C 61 66.159 66.159 66.830 -0.671 25868 3464 1 7 . 1 1 61 61 THR CB C 61 68.168 68.168 68.836 -0.668 25868 3465 1 7 . 1 1 61 61 THR H H 61 7.955 7.955 8.044 -0.089 25868 3466 1 7 . 1 1 62 62 ASP N N 62 121.668 121.668 121.221 0.447 25868 3467 1 7 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.388 -0.126 25868 3468 1 7 . 1 1 62 62 ASP C C 62 178.461 178.461 178.079 0.382 25868 3469 1 7 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.137 0.312 25868 3470 1 7 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.346 0.589 25868 3471 1 7 . 1 1 62 62 ASP H H 62 8.298 8.298 8.398 -0.100 25868 3472 1 7 . 1 1 63 63 GLY N N 63 109.003 109.003 107.375 1.628 25868 3473 1 7 . 1 1 63 63 GLY C C 63 175.517 175.517 175.703 -0.186 25868 3474 1 7 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.161 -0.103 25868 3475 1 7 . 1 1 63 63 GLY H H 63 8.018 8.018 7.716 0.302 25868 3476 1 7 . 1 1 64 64 LEU N N 64 122.504 122.504 123.081 -0.577 25868 3477 1 7 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.261 -0.179 25868 3478 1 7 . 1 1 64 64 LEU C C 64 177.333 177.333 178.264 -0.931 25868 3479 1 7 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.287 1.206 25868 3480 1 7 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.849 0.258 25868 3481 1 7 . 1 1 64 64 LEU H H 64 8.073 8.073 7.954 0.119 25868 3482 1 7 . 1 1 65 65 ARG N N 65 118.626 118.626 119.107 -0.481 25868 3483 1 7 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.884 0.008 25868 3484 1 7 . 1 1 65 65 ARG C C 65 179.045 179.045 178.412 0.633 25868 3485 1 7 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.961 -0.106 25868 3486 1 7 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.042 -0.107 25868 3487 1 7 . 1 1 65 65 ARG H H 65 8.491 8.491 8.104 0.387 25868 3488 1 7 . 1 1 66 66 ARG N N 66 119.009 119.009 119.057 -0.048 25868 3489 1 7 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.979 -0.012 25868 3490 1 7 . 1 1 66 66 ARG C C 66 178.943 178.943 178.294 0.649 25868 3491 1 7 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.318 -0.104 25868 3492 1 7 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.948 -0.397 25868 3493 1 7 . 1 1 66 66 ARG H H 66 7.601 7.601 7.633 -0.032 25868 3494 1 7 . 1 1 67 67 ALA N N 67 122.174 122.174 120.776 1.398 25868 3495 1 7 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.370 -0.193 25868 3496 1 7 . 1 1 67 67 ALA C C 67 178.654 178.654 179.558 -0.904 25868 3497 1 7 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.718 1.377 25868 3498 1 7 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.418 -0.539 25868 3499 1 7 . 1 1 67 67 ALA H H 67 8.681 8.681 8.135 0.546 25868 3500 1 7 . 1 1 68 68 ALA N N 68 119.208 119.208 121.640 -2.432 25868 3501 1 7 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.024 -0.073 25868 3502 1 7 . 1 1 68 68 ALA C C 68 179.562 179.562 179.251 0.311 25868 3503 1 7 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.087 0.478 25868 3504 1 7 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.360 -0.519 25868 3505 1 7 . 1 1 68 68 ALA H H 68 9.060 9.060 8.181 0.879 25868 3506 1 7 . 1 1 69 69 LYS N N 69 119.434 119.434 119.119 0.315 25868 3507 1 7 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.056 -0.066 25868 3508 1 7 . 1 1 69 69 LYS C C 69 178.929 178.929 178.737 0.192 25868 3509 1 7 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.676 0.859 25868 3510 1 7 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.148 -0.038 25868 3511 1 7 . 1 1 69 69 LYS H H 69 7.997 7.997 8.213 -0.216 25868 3512 1 7 . 1 1 70 70 SER N N 70 116.406 116.406 115.696 0.710 25868 3513 1 7 . 1 1 70 70 SER HA H 70 3.908 3.908 4.064 -0.156 25868 3514 1 7 . 1 1 70 70 SER C C 70 175.957 175.957 176.278 -0.321 25868 3515 1 7 . 1 1 70 70 SER CA C 70 62.776 62.776 61.237 1.539 25868 3516 1 7 . 1 1 70 70 SER CB C 70 60.389 60.389 62.245 -1.856 25868 3517 1 7 . 1 1 70 70 SER H H 70 8.105 8.105 7.931 0.174 25868 3518 1 7 . 1 1 71 71 LEU N N 71 123.712 123.712 123.223 0.489 25868 3519 1 7 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.184 -0.103 25868 3520 1 7 . 1 1 71 71 LEU C C 71 176.893 176.893 178.060 -1.167 25868 3521 1 7 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.274 0.703 25868 3522 1 7 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.964 0.480 25868 3523 1 7 . 1 1 71 71 LEU H H 71 8.315 8.315 7.863 0.452 25868 3524 1 7 . 1 1 72 72 LYS N N 72 117.431 117.431 117.498 -0.067 25868 3525 1 7 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.002 -0.140 25868 3526 1 7 . 1 1 72 72 LYS C C 72 179.617 179.617 178.951 0.666 25868 3527 1 7 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.309 0.230 25868 3528 1 7 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.704 0.286 25868 3529 1 7 . 1 1 72 72 LYS H H 72 7.785 7.785 7.611 0.174 25868 3530 1 7 . 1 1 73 73 GLU N N 73 117.402 117.402 119.911 -2.509 25868 3531 1 7 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.129 -0.110 25868 3532 1 7 . 1 1 73 73 GLU C C 73 178.475 178.475 178.730 -0.255 25868 3533 1 7 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.403 0.242 25868 3534 1 7 . 1 1 73 73 GLU CB C 73 29.409 29.409 28.923 0.486 25868 3535 1 7 . 1 1 73 73 GLU H H 73 7.920 7.920 8.220 -0.300 25868 3536 1 7 . 1 1 74 74 ALA N N 74 122.211 122.211 122.010 0.201 25868 3537 1 7 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.232 0.086 25868 3538 1 7 . 1 1 74 74 ALA C C 74 178.839 178.839 179.727 -0.888 25868 3539 1 7 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.877 -0.499 25868 3540 1 7 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.738 -1.208 25868 3541 1 7 . 1 1 74 74 ALA H H 74 8.010 8.010 7.819 0.191 25868 3542 1 7 . 1 1 75 75 ILE N N 75 113.486 113.486 117.986 -4.500 25868 3543 1 7 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.867 -0.452 25868 3544 1 7 . 1 1 75 75 ILE C C 75 177.333 177.333 178.405 -1.072 25868 3545 1 7 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.208 2.606 25868 3546 1 7 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.982 1.215 25868 3547 1 7 . 1 1 75 75 ILE H H 75 7.405 7.405 7.923 -0.518 25868 3548 1 7 . 1 1 76 76 THR N N 76 105.977 105.977 111.603 -5.626 25868 3549 1 7 . 1 1 76 76 THR HA H 76 3.963 3.963 4.133 -0.170 25868 3550 1 7 . 1 1 76 76 THR C C 76 174.609 174.609 175.249 -0.640 25868 3551 1 7 . 1 1 76 76 THR CA C 76 63.773 63.773 64.242 -0.469 25868 3552 1 7 . 1 1 76 76 THR CB C 76 68.757 68.757 68.782 -0.025 25868 3553 1 7 . 1 1 76 76 THR H H 76 7.217 7.217 7.810 -0.593 25868 3554 1 7 . 1 1 77 77 ALA N N 77 122.534 122.534 123.183 -0.649 25868 3555 1 7 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.473 -0.056 25868 3556 1 7 . 1 1 77 77 ALA C C 77 177.085 177.085 177.821 -0.736 25868 3557 1 7 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.942 -0.314 25868 3558 1 7 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.717 0.064 25868 3559 1 7 . 1 1 77 77 ALA H H 77 7.486 7.486 7.132 0.354 25868 3560 1 7 . 1 1 78 78 ILE N N 78 123.223 123.223 121.772 1.451 25868 3561 1 7 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.142 0.070 25868 3562 1 7 . 1 1 78 78 ILE C C 78 174.939 174.939 173.684 1.255 25868 3563 1 7 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.341 0.457 25868 3564 1 7 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.873 1.744 25868 3565 1 7 . 1 1 78 78 ILE H H 78 7.428 7.428 7.352 0.076 25868 3566 1 7 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.436 0.002 25868 3567 1 7 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.680 1.405 25868 3568 1 7 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.369 -0.060 25868 3569 1 7 . 1 1 83 83 GLY N N 83 105.726 105.726 115.103 -9.377 25868 3570 1 7 . 1 1 83 83 GLY C C 83 175.765 175.765 175.668 0.097 25868 3571 1 7 . 1 1 83 83 GLY CA C 83 46.491 46.491 46.749 -0.258 25868 3572 1 7 . 1 1 83 83 GLY H H 83 7.613 7.613 8.732 -1.119 25868 3573 1 7 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.069 -0.185 25868 3574 1 7 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.135 2.186 25868 3575 1 7 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.140 0.687 25868 3576 1 7 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.308 -0.324 25868 3577 1 7 . 1 1 86 86 GLU C C 86 179.163 179.163 178.031 1.132 25868 3578 1 7 . 1 1 86 86 GLU CA C 86 59.196 59.196 57.575 1.621 25868 3579 1 7 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.758 -0.830 25868 3580 1 7 . 1 1 86 86 GLU H H 86 7.965 7.965 7.733 0.232 25868 3581 1 7 . 1 1 87 87 ALA N N 87 122.092 122.092 123.662 -1.570 25868 3582 1 7 . 1 1 87 87 ALA HA H 87 4.199 4.199 3.970 0.229 25868 3583 1 7 . 1 1 87 87 ALA C C 87 178.980 178.980 179.137 -0.157 25868 3584 1 7 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.797 -0.128 25868 3585 1 7 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.235 0.178 25868 3586 1 7 . 1 1 87 87 ALA H H 87 8.108 8.108 7.534 0.574 25868 3587 1 7 . 1 1 88 88 LYS N N 88 118.808 118.808 119.025 -0.217 25868 3588 1 7 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.907 -0.014 25868 3589 1 7 . 1 1 88 88 LYS C C 88 179.341 179.341 177.998 1.343 25868 3590 1 7 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.452 0.551 25868 3591 1 7 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.259 -0.033 25868 3592 1 7 . 1 1 88 88 LYS H H 88 8.501 8.501 7.851 0.650 25868 3593 1 7 . 1 1 89 89 GLU N N 89 119.454 119.454 118.827 0.627 25868 3594 1 7 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.956 0.039 25868 3595 1 7 . 1 1 89 89 GLU C C 89 179.017 179.017 178.663 0.354 25868 3596 1 7 . 1 1 89 89 GLU CA C 89 58.943 58.943 59.169 -0.226 25868 3597 1 7 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.354 -0.522 25868 3598 1 7 . 1 1 89 89 GLU H H 89 7.544 7.544 7.733 -0.189 25868 3599 1 7 . 1 1 90 90 MET N N 90 119.262 119.262 117.806 1.456 25868 3600 1 7 . 1 1 90 90 MET HA H 90 3.284 3.284 3.534 -0.250 25868 3601 1 7 . 1 1 90 90 MET C C 90 177.003 177.003 177.926 -0.923 25868 3602 1 7 . 1 1 90 90 MET CA C 90 59.168 59.168 57.988 1.180 25868 3603 1 7 . 1 1 90 90 MET CB C 90 33.468 33.468 31.834 1.634 25868 3604 1 7 . 1 1 90 90 MET H H 90 7.600 7.600 7.278 0.322 25868 3605 1 7 . 1 1 91 91 ALA N N 91 120.041 120.041 122.935 -2.894 25868 3606 1 7 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.921 -0.053 25868 3607 1 7 . 1 1 91 91 ALA C C 91 179.039 179.039 179.268 -0.229 25868 3608 1 7 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.329 -0.299 25868 3609 1 7 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.028 0.056 25868 3610 1 7 . 1 1 91 91 ALA H H 91 8.212 8.212 7.548 0.664 25868 3611 1 7 . 1 1 92 92 LYS N N 92 118.442 118.442 117.784 0.658 25868 3612 1 7 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.068 -0.146 25868 3613 1 7 . 1 1 92 92 LYS C C 92 178.874 178.874 179.085 -0.211 25868 3614 1 7 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.117 0.004 25868 3615 1 7 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.102 0.141 25868 3616 1 7 . 1 1 92 92 LYS H H 92 7.819 7.819 7.789 0.030 25868 3617 1 7 . 1 1 93 93 LYS N N 93 119.228 119.228 118.980 0.248 25868 3618 1 7 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.606 -0.029 25868 3619 1 7 . 1 1 93 93 LYS C C 93 176.618 176.618 178.077 -1.459 25868 3620 1 7 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.586 -0.459 25868 3621 1 7 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.660 -0.515 25868 3622 1 7 . 1 1 93 93 LYS H H 93 7.449 7.449 7.381 0.068 25868 3623 1 7 . 1 1 94 94 ALA N N 94 117.825 117.825 120.210 -2.385 25868 3624 1 7 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.763 0.018 25868 3625 1 7 . 1 1 94 94 ALA C C 94 178.736 178.736 179.596 -0.860 25868 3626 1 7 . 1 1 94 94 ALA CA C 94 54.878 54.878 54.825 0.053 25868 3627 1 7 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.229 -0.986 25868 3628 1 7 . 1 1 94 94 ALA H H 94 7.698 7.698 7.644 0.054 25868 3629 1 7 . 1 1 95 95 GLU N N 95 115.361 115.361 118.730 -3.369 25868 3630 1 7 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.940 -0.031 25868 3631 1 7 . 1 1 95 95 GLU C C 95 178.984 178.984 179.144 -0.160 25868 3632 1 7 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.482 -0.102 25868 3633 1 7 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.431 0.045 25868 3634 1 7 . 1 1 95 95 GLU H H 95 7.907 7.907 7.699 0.208 25868 3635 1 7 . 1 1 96 96 GLU N N 96 121.608 121.608 119.410 2.198 25868 3636 1 7 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.045 -0.096 25868 3637 1 7 . 1 1 96 96 GLU C C 96 180.249 180.249 179.260 0.989 25868 3638 1 7 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.051 0.146 25868 3639 1 7 . 1 1 96 96 GLU CB C 96 28.880 28.880 28.962 -0.082 25868 3640 1 7 . 1 1 96 96 GLU H H 96 7.815 7.815 7.919 -0.104 25868 3641 1 7 . 1 1 97 97 TRP N N 97 122.511 122.511 119.466 3.045 25868 3642 1 7 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.332 0.066 25868 3643 1 7 . 1 1 97 97 TRP C C 97 178.007 178.007 178.636 -0.629 25868 3644 1 7 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.641 -0.905 25868 3645 1 7 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.039 -0.061 25868 3646 1 7 . 1 1 97 97 TRP H H 97 8.069 8.069 8.068 0.001 25868 3647 1 7 . 1 1 98 98 LEU N N 98 119.235 119.235 121.342 -2.107 25868 3648 1 7 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.090 -0.007 25868 3649 1 7 . 1 1 98 98 LEU C C 98 178.599 178.599 178.687 -0.088 25868 3650 1 7 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.221 -0.567 25868 3651 1 7 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.477 0.488 25868 3652 1 7 . 1 1 98 98 LEU H H 98 8.077 8.077 7.719 0.358 25868 3653 1 7 . 1 1 99 99 GLN N N 99 117.609 117.609 116.900 0.709 25868 3654 1 7 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.098 0.018 25868 3655 1 7 . 1 1 99 99 GLN C C 99 177.636 177.636 177.655 -0.019 25868 3656 1 7 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.759 -0.039 25868 3657 1 7 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.158 0.088 25868 3658 1 7 . 1 1 99 99 GLN H H 99 8.077 8.077 8.222 -0.145 25868 3659 1 7 . 1 1 100 100 ALA N N 100 122.106 122.106 121.351 0.755 25868 3660 1 7 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.222 0.083 25868 3661 1 7 . 1 1 100 100 ALA C C 100 179.424 179.424 179.505 -0.081 25868 3662 1 7 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.495 -0.441 25868 3663 1 7 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.090 -0.537 25868 3664 1 7 . 1 1 100 100 ALA H H 100 7.944 7.944 7.521 0.423 25868 3665 1 7 . 1 1 101 101 GLU N N 101 117.817 117.817 117.089 0.728 25868 3666 1 7 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.271 0.085 25868 3667 1 7 . 1 1 101 101 GLU C C 101 177.415 177.415 178.046 -0.631 25868 3668 1 7 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.700 -0.687 25868 3669 1 7 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.113 0.285 25868 3670 1 7 . 1 1 101 101 GLU H H 101 8.162 8.162 8.093 0.069 25868 3671 1 7 . 1 1 102 102 GLN N N 102 118.194 118.194 119.431 -1.237 25868 3672 1 7 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.304 0.030 25868 3673 1 7 . 1 1 102 102 GLN C C 102 175.755 175.755 175.654 0.101 25868 3674 1 7 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.182 1.145 25868 3675 1 7 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.688 1.606 25868 3676 1 7 . 1 1 102 102 GLN H H 102 8.094 8.094 7.919 0.175 25868 3677 1 7 . 1 1 103 103 ASN N N 103 119.032 119.032 123.675 -4.643 25868 3678 1 7 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.514 0.276 25868 3679 1 7 . 1 1 103 103 ASN C C 103 173.949 173.949 175.618 -1.669 25868 3680 1 7 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.935 -0.906 25868 3681 1 7 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.592 -0.542 25868 3682 1 7 . 1 1 103 103 ASN H H 103 8.149 8.149 8.363 -0.214 25868 3683 1 8 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.774 -0.200 25868 3684 1 8 . 1 1 2 2 ASP C C 2 176.630 176.630 176.773 -0.143 25868 3685 1 8 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.064 0.978 25868 3686 1 8 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.544 -0.643 25868 3687 1 8 . 1 1 3 3 GLU N N 3 121.683 121.683 121.792 -0.109 25868 3688 1 8 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.078 0.102 25868 3689 1 8 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.613 -1.717 25868 3690 1 8 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.043 0.364 25868 3691 1 8 . 1 1 3 3 GLU H H 3 8.889 8.889 8.505 0.384 25868 3692 1 8 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.503 -0.058 25868 3693 1 8 . 1 1 4 4 ASN C C 4 176.095 176.095 177.098 -1.003 25868 3694 1 8 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.586 -0.941 25868 3695 1 8 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.002 -0.196 25868 3696 1 8 . 1 1 5 5 ILE N N 5 119.355 119.355 120.563 -1.208 25868 3697 1 8 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.790 0.087 25868 3698 1 8 . 1 1 5 5 ILE CA C 5 64.081 64.081 63.780 0.301 25868 3699 1 8 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.587 0.104 25868 3700 1 8 . 1 1 5 5 ILE H H 5 8.018 8.018 7.952 0.066 25868 3701 1 8 . 1 1 6 6 ALA N N 6 123.430 123.430 121.664 1.766 25868 3702 1 8 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.235 0.014 25868 3703 1 8 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.784 -0.613 25868 3704 1 8 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.110 0.134 25868 3705 1 8 . 1 1 6 6 ALA H H 6 8.041 8.041 7.665 0.376 25868 3706 1 8 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.911 0.119 25868 3707 1 8 . 1 1 7 7 LYS C C 7 178.778 178.778 178.688 0.090 25868 3708 1 8 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.347 -0.593 25868 3709 1 8 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.080 -0.067 25868 3710 1 8 . 1 1 8 8 PHE N N 8 120.439 120.439 117.342 3.097 25868 3711 1 8 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.427 0.247 25868 3712 1 8 . 1 1 8 8 PHE C C 8 177.470 177.470 178.323 -0.853 25868 3713 1 8 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.641 -1.486 25868 3714 1 8 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.936 0.340 25868 3715 1 8 . 1 1 8 8 PHE H H 8 7.908 7.908 7.668 0.240 25868 3716 1 8 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.143 -0.014 25868 3717 1 8 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.886 0.226 25868 3718 1 8 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.303 0.491 25868 3719 1 8 . 1 1 11 11 ALA N N 11 122.712 122.712 119.627 3.085 25868 3720 1 8 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.167 0.039 25868 3721 1 8 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.641 0.529 25868 3722 1 8 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.215 -0.954 25868 3723 1 8 . 1 1 11 11 ALA H H 11 7.945 7.945 7.566 0.379 25868 3724 1 8 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.440 -0.319 25868 3725 1 8 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.261 0.905 25868 3726 1 8 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.548 0.452 25868 3727 1 8 . 1 1 13 13 LYS N N 13 120.452 120.452 126.239 -5.787 25868 3728 1 8 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.350 -0.310 25868 3729 1 8 . 1 1 13 13 LYS CA C 13 57.813 57.813 55.854 1.959 25868 3730 1 8 . 1 1 13 13 LYS CB C 13 32.327 32.327 32.238 0.089 25868 3731 1 8 . 1 1 13 13 LYS H H 13 8.017 8.017 7.919 0.098 25868 3732 1 8 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.318 -0.164 25868 3733 1 8 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.804 0.871 25868 3734 1 8 . 1 1 14 14 LYS CB C 14 32.196 32.196 31.984 0.212 25868 3735 1 8 . 1 1 14 14 LYS H H 14 8.011 8.011 8.377 -0.366 25868 3736 1 8 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.013 0.259 25868 3737 1 8 . 1 1 15 15 ALA C C 15 179.056 179.056 179.336 -0.280 25868 3738 1 8 . 1 1 15 15 ALA CA C 15 53.971 53.971 54.770 -0.799 25868 3739 1 8 . 1 1 15 15 ALA CB C 15 18.684 18.684 18.733 -0.049 25868 3740 1 8 . 1 1 16 16 GLU N N 16 120.136 120.136 116.876 3.260 25868 3741 1 8 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.171 0.044 25868 3742 1 8 . 1 1 16 16 GLU C C 16 179.176 179.176 177.729 1.447 25868 3743 1 8 . 1 1 16 16 GLU CA C 16 58.499 58.499 58.383 0.116 25868 3744 1 8 . 1 1 16 16 GLU CB C 16 29.915 29.915 29.525 0.390 25868 3745 1 8 . 1 1 16 16 GLU H H 16 8.599 8.599 8.781 -0.182 25868 3746 1 8 . 1 1 17 17 GLU N N 17 120.683 120.683 119.495 1.188 25868 3747 1 8 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.414 -0.340 25868 3748 1 8 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.418 1.686 25868 3749 1 8 . 1 1 17 17 GLU CB C 17 29.718 29.718 31.020 -1.302 25868 3750 1 8 . 1 1 17 17 GLU H H 17 8.009 8.009 7.535 0.474 25868 3751 1 8 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.394 -0.064 25868 3752 1 8 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.252 0.246 25868 3753 1 8 . 1 1 18 18 LEU CB C 18 41.969 41.969 42.743 -0.774 25868 3754 1 8 . 1 1 18 18 LEU H H 18 7.614 7.614 7.795 -0.181 25868 3755 1 8 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.522 -0.113 25868 3756 1 8 . 1 1 19 19 ASN C C 19 174.609 174.609 174.778 -0.169 25868 3757 1 8 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.470 -0.794 25868 3758 1 8 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.066 -0.240 25868 3759 1 8 . 1 1 20 20 GLN N N 20 118.736 118.736 122.352 -3.616 25868 3760 1 8 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.470 -0.010 25868 3761 1 8 . 1 1 20 20 GLN C C 20 176.659 176.659 177.027 -0.368 25868 3762 1 8 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.900 -1.212 25868 3763 1 8 . 1 1 20 20 GLN CB C 20 28.164 28.164 30.297 -2.133 25868 3764 1 8 . 1 1 20 20 GLN H H 20 8.340 8.340 8.154 0.186 25868 3765 1 8 . 1 1 21 21 GLY N N 21 111.864 111.864 109.026 2.838 25868 3766 1 8 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.452 0.601 25868 3767 1 8 . 1 1 21 21 GLY H H 21 8.455 8.455 8.444 0.011 25868 3768 1 8 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.220 0.043 25868 3769 1 8 . 1 1 23 23 LEU C C 23 179.620 179.620 177.021 2.599 25868 3770 1 8 . 1 1 23 23 LEU CA C 23 56.394 56.394 54.953 1.440 25868 3771 1 8 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.571 -0.020 25868 3772 1 8 . 1 1 24 24 MET N N 24 120.657 120.657 116.183 4.474 25868 3773 1 8 . 1 1 24 24 MET HA H 24 4.077 4.077 4.447 -0.370 25868 3774 1 8 . 1 1 24 24 MET CB C 24 34.035 34.035 34.655 -0.620 25868 3775 1 8 . 1 1 24 24 MET H H 24 8.219 8.219 7.545 0.674 25868 3776 1 8 . 1 1 25 25 GLY N N 25 106.956 106.956 108.699 -1.743 25868 3777 1 8 . 1 1 25 25 GLY C C 25 175.016 175.016 175.433 -0.417 25868 3778 1 8 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.284 1.487 25868 3779 1 8 . 1 1 25 25 GLY H H 25 8.589 8.589 8.463 0.126 25868 3780 1 8 . 1 1 26 26 ARG N N 26 119.970 119.970 122.853 -2.883 25868 3781 1 8 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.322 -0.106 25868 3782 1 8 . 1 1 26 26 ARG C C 26 177.966 177.966 177.614 0.352 25868 3783 1 8 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.301 0.426 25868 3784 1 8 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.252 0.011 25868 3785 1 8 . 1 1 26 26 ARG H H 26 8.297 8.297 7.683 0.614 25868 3786 1 8 . 1 1 27 27 ALA N N 27 121.499 121.499 121.502 -0.003 25868 3787 1 8 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.226 0.038 25868 3788 1 8 . 1 1 27 27 ALA C C 27 179.878 179.878 179.940 -0.062 25868 3789 1 8 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.956 0.744 25868 3790 1 8 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.131 0.192 25868 3791 1 8 . 1 1 27 27 ALA H H 27 7.816 7.816 8.352 -0.536 25868 3792 1 8 . 1 1 28 28 LEU N N 28 117.285 117.285 118.678 -1.393 25868 3793 1 8 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.991 0.036 25868 3794 1 8 . 1 1 28 28 LEU C C 28 178.158 178.158 178.922 -0.764 25868 3795 1 8 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.322 0.772 25868 3796 1 8 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.875 0.379 25868 3797 1 8 . 1 1 28 28 LEU H H 28 8.066 8.066 7.700 0.366 25868 3798 1 8 . 1 1 29 29 TYR N N 29 119.594 119.594 120.500 -0.906 25868 3799 1 8 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.272 -0.278 25868 3800 1 8 . 1 1 29 29 TYR C C 29 176.382 176.382 177.600 -1.218 25868 3801 1 8 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.830 0.837 25868 3802 1 8 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.519 0.391 25868 3803 1 8 . 1 1 29 29 TYR H H 29 8.568 8.568 8.192 0.376 25868 3804 1 8 . 1 1 30 30 ASN N N 30 116.978 116.978 116.865 0.113 25868 3805 1 8 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.133 0.128 25868 3806 1 8 . 1 1 30 30 ASN C C 30 178.521 178.521 177.411 1.110 25868 3807 1 8 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.246 -0.322 25868 3808 1 8 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.785 -1.322 25868 3809 1 8 . 1 1 30 30 ASN H H 30 8.290 8.290 7.776 0.514 25868 3810 1 8 . 1 1 31 31 ILE N N 31 122.107 122.107 120.614 1.493 25868 3811 1 8 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.553 -0.196 25868 3812 1 8 . 1 1 31 31 ILE C C 31 178.007 178.007 177.650 0.357 25868 3813 1 8 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.234 0.963 25868 3814 1 8 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.157 0.529 25868 3815 1 8 . 1 1 31 31 ILE H H 31 8.006 8.006 7.282 0.724 25868 3816 1 8 . 1 1 32 32 GLY N N 32 107.810 107.810 107.804 0.006 25868 3817 1 8 . 1 1 32 32 GLY C C 32 175.187 175.187 175.580 -0.393 25868 3818 1 8 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.723 1.797 25868 3819 1 8 . 1 1 32 32 GLY H H 32 7.880 7.880 7.838 0.042 25868 3820 1 8 . 1 1 33 33 LEU N N 33 120.587 120.587 121.816 -1.229 25868 3821 1 8 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.002 0.054 25868 3822 1 8 . 1 1 33 33 LEU C C 33 180.635 180.635 179.302 1.333 25868 3823 1 8 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.678 0.473 25868 3824 1 8 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.552 0.125 25868 3825 1 8 . 1 1 33 33 LEU H H 33 8.117 8.117 7.607 0.510 25868 3826 1 8 . 1 1 34 34 GLU N N 34 120.332 120.332 119.090 1.242 25868 3827 1 8 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.022 -0.049 25868 3828 1 8 . 1 1 34 34 GLU C C 34 179.479 179.479 179.204 0.275 25868 3829 1 8 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.146 -0.284 25868 3830 1 8 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.913 0.238 25868 3831 1 8 . 1 1 34 34 GLU H H 34 7.763 7.763 7.795 -0.032 25868 3832 1 8 . 1 1 35 35 LYS N N 35 118.642 118.642 119.527 -0.885 25868 3833 1 8 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.994 -0.081 25868 3834 1 8 . 1 1 35 35 LYS C C 35 179.149 179.149 178.747 0.402 25868 3835 1 8 . 1 1 35 35 LYS CA C 35 57.842 57.842 59.133 -1.291 25868 3836 1 8 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.043 -1.329 25868 3837 1 8 . 1 1 35 35 LYS H H 35 8.573 8.573 7.919 0.654 25868 3838 1 8 . 1 1 36 36 ASN N N 36 119.047 119.047 116.759 2.288 25868 3839 1 8 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.491 -0.183 25868 3840 1 8 . 1 1 36 36 ASN C C 36 179.782 179.782 177.675 2.107 25868 3841 1 8 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.785 -0.126 25868 3842 1 8 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.631 -0.439 25868 3843 1 8 . 1 1 36 36 ASN H H 36 8.348 8.348 8.176 0.172 25868 3844 1 8 . 1 1 37 37 LYS N N 37 121.477 121.477 119.958 1.519 25868 3845 1 8 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.142 -0.058 25868 3846 1 8 . 1 1 37 37 LYS C C 37 177.938 177.938 178.518 -0.580 25868 3847 1 8 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.220 1.070 25868 3848 1 8 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.228 -0.019 25868 3849 1 8 . 1 1 37 37 LYS H H 37 7.956 7.956 7.673 0.283 25868 3850 1 8 . 1 1 38 38 MET N N 38 114.976 114.976 116.333 -1.357 25868 3851 1 8 . 1 1 38 38 MET HA H 38 4.519 4.519 4.434 0.085 25868 3852 1 8 . 1 1 38 38 MET C C 38 175.847 175.847 176.845 -0.998 25868 3853 1 8 . 1 1 38 38 MET CA C 38 55.264 55.264 56.075 -0.811 25868 3854 1 8 . 1 1 38 38 MET CB C 38 33.388 33.388 33.256 0.132 25868 3855 1 8 . 1 1 38 38 MET H H 38 7.394 7.394 7.725 -0.331 25868 3856 1 8 . 1 1 39 39 GLY N N 39 107.575 107.575 106.706 0.869 25868 3857 1 8 . 1 1 39 39 GLY C C 39 174.994 174.994 174.990 0.004 25868 3858 1 8 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.169 0.583 25868 3859 1 8 . 1 1 39 39 GLY H H 39 7.906 7.906 7.452 0.454 25868 3860 1 8 . 1 1 40 40 LYS N N 40 122.563 122.563 122.265 0.298 25868 3861 1 8 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.378 0.358 25868 3862 1 8 . 1 1 40 40 LYS C C 40 175.847 175.847 175.721 0.126 25868 3863 1 8 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.178 -0.798 25868 3864 1 8 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.007 0.415 25868 3865 1 8 . 1 1 40 40 LYS H H 40 7.958 7.958 8.084 -0.126 25868 3866 1 8 . 1 1 41 41 ALA N N 41 123.662 123.662 124.333 -0.671 25868 3867 1 8 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.238 -0.103 25868 3868 1 8 . 1 1 41 41 ALA C C 41 178.736 178.736 179.090 -0.354 25868 3869 1 8 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.878 0.851 25868 3870 1 8 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.952 1.014 25868 3871 1 8 . 1 1 41 41 ALA H H 41 7.487 7.487 8.032 -0.545 25868 3872 1 8 . 1 1 42 42 ARG N N 42 118.612 118.612 119.334 -0.722 25868 3873 1 8 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.001 -0.001 25868 3874 1 8 . 1 1 42 42 ARG C C 42 178.901 178.901 178.107 0.794 25868 3875 1 8 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.929 -0.132 25868 3876 1 8 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.483 -0.609 25868 3877 1 8 . 1 1 42 42 ARG H H 42 8.864 8.864 8.728 0.136 25868 3878 1 8 . 1 1 43 43 GLU N N 43 120.194 120.194 119.112 1.082 25868 3879 1 8 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.277 -0.154 25868 3880 1 8 . 1 1 43 43 GLU C C 43 178.901 178.901 178.600 0.301 25868 3881 1 8 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.229 0.209 25868 3882 1 8 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.287 0.647 25868 3883 1 8 . 1 1 43 43 GLU H H 43 8.062 8.062 8.432 -0.370 25868 3884 1 8 . 1 1 44 44 ALA N N 44 121.369 121.369 122.418 -1.049 25868 3885 1 8 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.759 -0.186 25868 3886 1 8 . 1 1 44 44 ALA C C 44 177.911 177.911 178.978 -1.067 25868 3887 1 8 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.073 0.689 25868 3888 1 8 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.203 0.346 25868 3889 1 8 . 1 1 44 44 ALA H H 44 8.627 8.627 8.103 0.524 25868 3890 1 8 . 1 1 45 45 ALA N N 45 117.108 117.108 119.748 -2.640 25868 3891 1 8 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.169 -0.084 25868 3892 1 8 . 1 1 45 45 ALA C C 45 178.078 178.078 179.792 -1.714 25868 3893 1 8 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.191 0.385 25868 3894 1 8 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.401 -0.961 25868 3895 1 8 . 1 1 45 45 ALA H H 45 8.310 8.310 8.052 0.258 25868 3896 1 8 . 1 1 46 46 GLU N N 46 115.941 115.941 119.251 -3.310 25868 3897 1 8 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.066 -0.147 25868 3898 1 8 . 1 1 46 46 GLU C C 46 179.341 179.341 179.170 0.171 25868 3899 1 8 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.327 0.430 25868 3900 1 8 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.478 -0.341 25868 3901 1 8 . 1 1 46 46 GLU H H 46 7.451 7.451 7.493 -0.042 25868 3902 1 8 . 1 1 47 47 TYR N N 47 117.925 117.925 118.947 -1.022 25868 3903 1 8 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.236 -0.391 25868 3904 1 8 . 1 1 47 47 TYR C C 47 178.544 178.544 178.547 -0.003 25868 3905 1 8 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.239 3.425 25868 3906 1 8 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.095 -0.781 25868 3907 1 8 . 1 1 47 47 TYR H H 47 7.746 7.746 7.532 0.214 25868 3908 1 8 . 1 1 48 48 PHE N N 48 118.758 118.758 118.447 0.311 25868 3909 1 8 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.443 0.305 25868 3910 1 8 . 1 1 48 48 PHE C C 48 178.227 178.227 178.057 0.170 25868 3911 1 8 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.378 -0.825 25868 3912 1 8 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.316 -0.167 25868 3913 1 8 . 1 1 48 48 PHE H H 48 9.054 9.054 8.520 0.534 25868 3914 1 8 . 1 1 49 49 PHE N N 49 120.234 120.234 121.793 -1.559 25868 3915 1 8 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.340 0.158 25868 3916 1 8 . 1 1 49 49 PHE C C 49 176.645 176.645 177.254 -0.609 25868 3917 1 8 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.113 0.108 25868 3918 1 8 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.172 1.117 25868 3919 1 8 . 1 1 49 49 PHE H H 49 8.981 8.981 7.946 1.035 25868 3920 1 8 . 1 1 50 50 ARG N N 50 117.925 117.925 118.306 -0.381 25868 3921 1 8 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.804 -0.024 25868 3922 1 8 . 1 1 50 50 ARG C C 50 179.369 179.369 178.634 0.735 25868 3923 1 8 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.151 0.678 25868 3924 1 8 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.905 0.618 25868 3925 1 8 . 1 1 50 50 ARG H H 50 8.450 8.450 8.469 -0.019 25868 3926 1 8 . 1 1 51 51 ALA N N 51 120.897 120.897 122.451 -1.554 25868 3927 1 8 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.082 -0.366 25868 3928 1 8 . 1 1 51 51 ALA C C 51 177.085 177.085 178.975 -1.890 25868 3929 1 8 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.953 0.145 25868 3930 1 8 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.432 -1.166 25868 3931 1 8 . 1 1 51 51 ALA H H 51 8.697 8.697 8.020 0.677 25868 3932 1 8 . 1 1 52 52 ALA N N 52 120.007 120.007 121.063 -1.056 25868 3933 1 8 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.412 -0.343 25868 3934 1 8 . 1 1 52 52 ALA C C 52 178.067 178.067 179.862 -1.795 25868 3935 1 8 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.123 0.985 25868 3936 1 8 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.704 -1.451 25868 3937 1 8 . 1 1 52 52 ALA H H 52 8.483 8.483 7.818 0.665 25868 3938 1 8 . 1 1 53 53 ILE N N 53 116.864 116.864 119.619 -2.755 25868 3939 1 8 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.222 -0.039 25868 3940 1 8 . 1 1 53 53 ILE C C 53 178.323 178.323 177.467 0.856 25868 3941 1 8 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.251 0.514 25868 3942 1 8 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.372 1.104 25868 3943 1 8 . 1 1 53 53 ILE H H 53 8.033 8.033 8.147 -0.114 25868 3944 1 8 . 1 1 54 54 VAL N N 54 119.604 119.604 119.276 0.328 25868 3945 1 8 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.591 -0.100 25868 3946 1 8 . 1 1 54 54 VAL C C 54 178.200 178.200 178.291 -0.091 25868 3947 1 8 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.568 0.808 25868 3948 1 8 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.625 0.783 25868 3949 1 8 . 1 1 54 54 VAL H H 54 7.126 7.126 7.311 -0.185 25868 3950 1 8 . 1 1 55 55 PHE N N 55 118.386 118.386 118.915 -0.529 25868 3951 1 8 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.141 0.395 25868 3952 1 8 . 1 1 55 55 PHE C C 55 178.571 178.571 177.610 0.961 25868 3953 1 8 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.582 -2.095 25868 3954 1 8 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.504 0.653 25868 3955 1 8 . 1 1 55 55 PHE H H 55 9.061 9.061 7.993 1.068 25868 3956 1 8 . 1 1 56 56 TYR N N 56 119.488 119.488 121.263 -1.775 25868 3957 1 8 . 1 1 56 56 TYR HA H 56 4.351 4.351 4.273 0.078 25868 3958 1 8 . 1 1 56 56 TYR C C 56 178.871 178.871 177.638 1.233 25868 3959 1 8 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.666 -1.172 25868 3960 1 8 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.032 -0.229 25868 3961 1 8 . 1 1 56 56 TYR H H 56 8.975 8.975 8.047 0.928 25868 3962 1 8 . 1 1 57 57 LYS N N 57 121.083 121.083 117.399 3.684 25868 3963 1 8 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.602 -0.139 25868 3964 1 8 . 1 1 57 57 LYS C C 57 178.103 178.103 178.183 -0.080 25868 3965 1 8 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.431 0.415 25868 3966 1 8 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.869 -0.144 25868 3967 1 8 . 1 1 57 57 LYS H H 57 7.753 7.753 7.731 0.022 25868 3968 1 8 . 1 1 58 58 GLU N N 58 114.098 114.098 114.920 -0.822 25868 3969 1 8 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.239 -0.082 25868 3970 1 8 . 1 1 58 58 GLU C C 58 175.655 175.655 177.019 -1.364 25868 3971 1 8 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.236 -1.102 25868 3972 1 8 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.189 -0.549 25868 3973 1 8 . 1 1 58 58 GLU H H 58 7.849 7.849 7.672 0.177 25868 3974 1 8 . 1 1 59 59 HIS N N 59 115.781 115.781 113.278 2.503 25868 3975 1 8 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.509 -0.299 25868 3976 1 8 . 1 1 59 59 HIS C C 59 173.784 173.784 174.356 -0.572 25868 3977 1 8 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.808 -0.397 25868 3978 1 8 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.280 -1.442 25868 3979 1 8 . 1 1 59 59 HIS H H 59 7.659 7.659 7.489 0.170 25868 3980 1 8 . 1 1 60 60 ASP N N 60 118.780 118.780 121.171 -2.391 25868 3981 1 8 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.773 0.086 25868 3982 1 8 . 1 1 60 60 ASP C C 60 175.847 175.847 177.155 -1.308 25868 3983 1 8 . 1 1 60 60 ASP CA C 60 51.803 51.803 52.445 -0.642 25868 3984 1 8 . 1 1 60 60 ASP CB C 60 40.131 40.131 39.988 0.143 25868 3985 1 8 . 1 1 60 60 ASP H H 60 8.660 8.660 8.312 0.348 25868 3986 1 8 . 1 1 61 61 THR N N 61 118.884 118.884 118.092 0.792 25868 3987 1 8 . 1 1 61 61 THR HA H 61 3.763 3.763 3.974 -0.211 25868 3988 1 8 . 1 1 61 61 THR C C 61 175.886 175.886 176.353 -0.467 25868 3989 1 8 . 1 1 61 61 THR CA C 61 66.159 66.159 66.154 0.005 25868 3990 1 8 . 1 1 61 61 THR CB C 61 68.168 68.168 68.519 -0.351 25868 3991 1 8 . 1 1 61 61 THR H H 61 7.955 7.955 8.048 -0.093 25868 3992 1 8 . 1 1 62 62 ASP N N 62 121.668 121.668 122.797 -1.129 25868 3993 1 8 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.306 -0.044 25868 3994 1 8 . 1 1 62 62 ASP C C 62 178.461 178.461 178.089 0.372 25868 3995 1 8 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.638 -0.189 25868 3996 1 8 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.459 0.476 25868 3997 1 8 . 1 1 62 62 ASP H H 62 8.298 8.298 7.904 0.394 25868 3998 1 8 . 1 1 63 63 GLY N N 63 109.003 109.003 107.569 1.434 25868 3999 1 8 . 1 1 63 63 GLY C C 63 175.517 175.517 175.324 0.193 25868 4000 1 8 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.143 -0.084 25868 4001 1 8 . 1 1 63 63 GLY H H 63 8.018 8.018 7.864 0.154 25868 4002 1 8 . 1 1 64 64 LEU N N 64 122.504 122.504 122.538 -0.034 25868 4003 1 8 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.134 -0.052 25868 4004 1 8 . 1 1 64 64 LEU C C 64 177.333 177.333 178.334 -1.001 25868 4005 1 8 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.477 1.016 25868 4006 1 8 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.953 0.153 25868 4007 1 8 . 1 1 64 64 LEU H H 64 8.073 8.073 7.966 0.107 25868 4008 1 8 . 1 1 65 65 ARG N N 65 118.626 118.626 118.789 -0.163 25868 4009 1 8 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.869 0.023 25868 4010 1 8 . 1 1 65 65 ARG C C 65 179.045 179.045 178.300 0.745 25868 4011 1 8 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.920 -0.065 25868 4012 1 8 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.120 -0.185 25868 4013 1 8 . 1 1 65 65 ARG H H 65 8.491 8.491 7.818 0.673 25868 4014 1 8 . 1 1 66 66 ARG N N 66 119.009 119.009 118.875 0.134 25868 4015 1 8 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.919 0.048 25868 4016 1 8 . 1 1 66 66 ARG C C 66 178.943 178.943 178.510 0.433 25868 4017 1 8 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.298 -0.085 25868 4018 1 8 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.614 -0.063 25868 4019 1 8 . 1 1 66 66 ARG H H 66 7.601 7.601 7.543 0.058 25868 4020 1 8 . 1 1 67 67 ALA N N 67 122.174 122.174 120.940 1.234 25868 4021 1 8 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.399 -0.222 25868 4022 1 8 . 1 1 67 67 ALA C C 67 178.654 178.654 179.635 -0.981 25868 4023 1 8 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.820 1.274 25868 4024 1 8 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.351 -0.472 25868 4025 1 8 . 1 1 67 67 ALA H H 67 8.681 8.681 7.916 0.765 25868 4026 1 8 . 1 1 68 68 ALA N N 68 119.208 119.208 121.124 -1.916 25868 4027 1 8 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.032 -0.081 25868 4028 1 8 . 1 1 68 68 ALA C C 68 179.562 179.562 179.633 -0.071 25868 4029 1 8 . 1 1 68 68 ALA CA C 68 55.565 55.565 54.907 0.658 25868 4030 1 8 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.431 -0.590 25868 4031 1 8 . 1 1 68 68 ALA H H 68 9.060 9.060 8.053 1.007 25868 4032 1 8 . 1 1 69 69 LYS N N 69 119.434 119.434 118.931 0.503 25868 4033 1 8 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.994 -0.004 25868 4034 1 8 . 1 1 69 69 LYS C C 69 178.929 178.929 179.107 -0.178 25868 4035 1 8 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.947 0.588 25868 4036 1 8 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.130 -0.020 25868 4037 1 8 . 1 1 69 69 LYS H H 69 7.997 7.997 8.162 -0.165 25868 4038 1 8 . 1 1 70 70 SER N N 70 116.406 116.406 115.933 0.473 25868 4039 1 8 . 1 1 70 70 SER HA H 70 3.908 3.908 4.139 -0.231 25868 4040 1 8 . 1 1 70 70 SER C C 70 175.957 175.957 176.434 -0.477 25868 4041 1 8 . 1 1 70 70 SER CA C 70 62.776 62.776 61.159 1.617 25868 4042 1 8 . 1 1 70 70 SER CB C 70 60.389 60.389 62.377 -1.988 25868 4043 1 8 . 1 1 70 70 SER H H 70 8.105 8.105 7.857 0.248 25868 4044 1 8 . 1 1 71 71 LEU N N 71 123.712 123.712 123.269 0.443 25868 4045 1 8 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.188 -0.107 25868 4046 1 8 . 1 1 71 71 LEU C C 71 176.893 176.893 178.289 -1.396 25868 4047 1 8 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.230 0.747 25868 4048 1 8 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.024 0.420 25868 4049 1 8 . 1 1 71 71 LEU H H 71 8.315 8.315 7.723 0.592 25868 4050 1 8 . 1 1 72 72 LYS N N 72 117.431 117.431 117.956 -0.525 25868 4051 1 8 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.974 -0.112 25868 4052 1 8 . 1 1 72 72 LYS C C 72 179.617 179.617 178.965 0.652 25868 4053 1 8 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.760 -0.220 25868 4054 1 8 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.257 -0.267 25868 4055 1 8 . 1 1 72 72 LYS H H 72 7.785 7.785 7.537 0.248 25868 4056 1 8 . 1 1 73 73 GLU N N 73 117.402 117.402 119.234 -1.832 25868 4057 1 8 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.114 -0.095 25868 4058 1 8 . 1 1 73 73 GLU C C 73 178.475 178.475 178.201 0.274 25868 4059 1 8 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.592 0.053 25868 4060 1 8 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.306 0.103 25868 4061 1 8 . 1 1 73 73 GLU H H 73 7.920 7.920 7.960 -0.040 25868 4062 1 8 . 1 1 74 74 ALA N N 74 122.211 122.211 121.696 0.515 25868 4063 1 8 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.416 -0.097 25868 4064 1 8 . 1 1 74 74 ALA C C 74 178.839 178.839 179.612 -0.773 25868 4065 1 8 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.516 -0.138 25868 4066 1 8 . 1 1 74 74 ALA CB C 74 17.530 17.530 19.474 -1.944 25868 4067 1 8 . 1 1 74 74 ALA H H 74 8.010 8.010 7.822 0.188 25868 4068 1 8 . 1 1 75 75 ILE N N 75 113.486 113.486 119.679 -6.193 25868 4069 1 8 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.793 -0.378 25868 4070 1 8 . 1 1 75 75 ILE C C 75 177.333 177.333 178.414 -1.081 25868 4071 1 8 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.404 2.410 25868 4072 1 8 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.507 1.690 25868 4073 1 8 . 1 1 75 75 ILE H H 75 7.405 7.405 7.814 -0.409 25868 4074 1 8 . 1 1 76 76 THR N N 76 105.977 105.977 113.299 -7.322 25868 4075 1 8 . 1 1 76 76 THR HA H 76 3.963 3.963 4.047 -0.084 25868 4076 1 8 . 1 1 76 76 THR C C 76 174.609 174.609 174.890 -0.281 25868 4077 1 8 . 1 1 76 76 THR CA C 76 63.773 63.773 64.054 -0.281 25868 4078 1 8 . 1 1 76 76 THR CB C 76 68.757 68.757 68.822 -0.065 25868 4079 1 8 . 1 1 76 76 THR H H 76 7.217 7.217 7.748 -0.531 25868 4080 1 8 . 1 1 77 77 ALA N N 77 122.534 122.534 121.701 0.833 25868 4081 1 8 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.523 -0.106 25868 4082 1 8 . 1 1 77 77 ALA C C 77 177.085 177.085 177.750 -0.665 25868 4083 1 8 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.291 0.337 25868 4084 1 8 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.960 -0.179 25868 4085 1 8 . 1 1 77 77 ALA H H 77 7.486 7.486 7.285 0.201 25868 4086 1 8 . 1 1 78 78 ILE N N 78 123.223 123.223 123.227 -0.004 25868 4087 1 8 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.092 0.120 25868 4088 1 8 . 1 1 78 78 ILE C C 78 174.939 174.939 173.948 0.991 25868 4089 1 8 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.894 -0.096 25868 4090 1 8 . 1 1 78 78 ILE CB C 78 39.616 39.616 38.119 1.497 25868 4091 1 8 . 1 1 78 78 ILE H H 78 7.428 7.428 7.277 0.151 25868 4092 1 8 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.354 0.084 25868 4093 1 8 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.436 0.649 25868 4094 1 8 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.109 0.199 25868 4095 1 8 . 1 1 83 83 GLY N N 83 105.726 105.726 105.389 0.337 25868 4096 1 8 . 1 1 83 83 GLY C C 83 175.765 175.765 174.306 1.459 25868 4097 1 8 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.004 1.487 25868 4098 1 8 . 1 1 83 83 GLY H H 83 7.613 7.613 8.175 -0.562 25868 4099 1 8 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.090 -0.206 25868 4100 1 8 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.513 1.808 25868 4101 1 8 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.265 0.562 25868 4102 1 8 . 1 1 86 86 GLU HA H 86 3.984 3.984 3.983 0.001 25868 4103 1 8 . 1 1 86 86 GLU C C 86 179.163 179.163 178.049 1.114 25868 4104 1 8 . 1 1 86 86 GLU CA C 86 59.196 59.196 59.272 -0.076 25868 4105 1 8 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.979 -0.051 25868 4106 1 8 . 1 1 86 86 GLU H H 86 7.965 7.965 8.490 -0.525 25868 4107 1 8 . 1 1 87 87 ALA N N 87 122.092 122.092 120.258 1.834 25868 4108 1 8 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.008 0.191 25868 4109 1 8 . 1 1 87 87 ALA C C 87 178.980 178.980 179.309 -0.329 25868 4110 1 8 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.403 0.266 25868 4111 1 8 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.513 -0.100 25868 4112 1 8 . 1 1 87 87 ALA H H 87 8.108 8.108 7.435 0.673 25868 4113 1 8 . 1 1 88 88 LYS N N 88 118.808 118.808 119.526 -0.718 25868 4114 1 8 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.997 -0.104 25868 4115 1 8 . 1 1 88 88 LYS C C 88 179.341 179.341 178.807 0.534 25868 4116 1 8 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.840 1.163 25868 4117 1 8 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.085 0.141 25868 4118 1 8 . 1 1 88 88 LYS H H 88 8.501 8.501 7.839 0.662 25868 4119 1 8 . 1 1 89 89 GLU N N 89 119.454 119.454 118.669 0.785 25868 4120 1 8 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.970 0.025 25868 4121 1 8 . 1 1 89 89 GLU C C 89 179.017 179.017 178.981 0.036 25868 4122 1 8 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.784 0.159 25868 4123 1 8 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.842 -0.010 25868 4124 1 8 . 1 1 89 89 GLU H H 89 7.544 7.544 8.058 -0.514 25868 4125 1 8 . 1 1 90 90 MET N N 90 119.262 119.262 118.046 1.216 25868 4126 1 8 . 1 1 90 90 MET HA H 90 3.284 3.284 3.410 -0.126 25868 4127 1 8 . 1 1 90 90 MET C C 90 177.003 177.003 178.028 -1.025 25868 4128 1 8 . 1 1 90 90 MET CA C 90 59.168 59.168 58.445 0.723 25868 4129 1 8 . 1 1 90 90 MET CB C 90 33.468 33.468 31.586 1.882 25868 4130 1 8 . 1 1 90 90 MET H H 90 7.600 7.600 7.332 0.268 25868 4131 1 8 . 1 1 91 91 ALA N N 91 120.041 120.041 122.059 -2.018 25868 4132 1 8 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.948 -0.080 25868 4133 1 8 . 1 1 91 91 ALA C C 91 179.039 179.039 179.012 0.027 25868 4134 1 8 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.299 -0.269 25868 4135 1 8 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.009 0.075 25868 4136 1 8 . 1 1 91 91 ALA H H 91 8.212 8.212 7.907 0.305 25868 4137 1 8 . 1 1 92 92 LYS N N 92 118.442 118.442 118.154 0.288 25868 4138 1 8 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.237 -0.315 25868 4139 1 8 . 1 1 92 92 LYS C C 92 178.874 178.874 178.703 0.171 25868 4140 1 8 . 1 1 92 92 LYS CA C 92 59.121 59.121 58.744 0.377 25868 4141 1 8 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.381 -0.138 25868 4142 1 8 . 1 1 92 92 LYS H H 92 7.819 7.819 7.708 0.111 25868 4143 1 8 . 1 1 93 93 LYS N N 93 119.228 119.228 118.961 0.267 25868 4144 1 8 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.630 -0.053 25868 4145 1 8 . 1 1 93 93 LYS C C 93 176.618 176.618 178.097 -1.479 25868 4146 1 8 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.561 -0.435 25868 4147 1 8 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.667 -0.522 25868 4148 1 8 . 1 1 93 93 LYS H H 93 7.449 7.449 7.527 -0.078 25868 4149 1 8 . 1 1 94 94 ALA N N 94 117.825 117.825 120.684 -2.859 25868 4150 1 8 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.825 -0.044 25868 4151 1 8 . 1 1 94 94 ALA C C 94 178.736 178.736 179.512 -0.776 25868 4152 1 8 . 1 1 94 94 ALA CA C 94 54.878 54.878 54.991 -0.113 25868 4153 1 8 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.342 -1.099 25868 4154 1 8 . 1 1 94 94 ALA H H 94 7.698 7.698 7.722 -0.024 25868 4155 1 8 . 1 1 95 95 GLU N N 95 115.361 115.361 118.705 -3.344 25868 4156 1 8 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.950 -0.041 25868 4157 1 8 . 1 1 95 95 GLU C C 95 178.984 178.984 179.115 -0.131 25868 4158 1 8 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.502 -0.122 25868 4159 1 8 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.387 0.089 25868 4160 1 8 . 1 1 95 95 GLU H H 95 7.907 7.907 7.672 0.235 25868 4161 1 8 . 1 1 96 96 GLU N N 96 121.608 121.608 119.692 1.916 25868 4162 1 8 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.056 -0.107 25868 4163 1 8 . 1 1 96 96 GLU C C 96 180.249 180.249 179.237 1.012 25868 4164 1 8 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.995 0.202 25868 4165 1 8 . 1 1 96 96 GLU CB C 96 28.880 28.880 28.914 -0.034 25868 4166 1 8 . 1 1 96 96 GLU H H 96 7.815 7.815 7.916 -0.101 25868 4167 1 8 . 1 1 97 97 TRP N N 97 122.511 122.511 119.400 3.111 25868 4168 1 8 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.414 -0.016 25868 4169 1 8 . 1 1 97 97 TRP C C 97 178.007 178.007 179.015 -1.008 25868 4170 1 8 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.840 -1.104 25868 4171 1 8 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.307 -0.329 25868 4172 1 8 . 1 1 97 97 TRP H H 97 8.069 8.069 7.884 0.185 25868 4173 1 8 . 1 1 98 98 LEU N N 98 119.235 119.235 121.518 -2.283 25868 4174 1 8 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.048 0.035 25868 4175 1 8 . 1 1 98 98 LEU C C 98 178.599 178.599 178.713 -0.114 25868 4176 1 8 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.483 -0.828 25868 4177 1 8 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.511 0.454 25868 4178 1 8 . 1 1 98 98 LEU H H 98 8.077 8.077 7.841 0.236 25868 4179 1 8 . 1 1 99 99 GLN N N 99 117.609 117.609 117.664 -0.055 25868 4180 1 8 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.274 -0.158 25868 4181 1 8 . 1 1 99 99 GLN C C 99 177.636 177.636 178.485 -0.849 25868 4182 1 8 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.951 -0.231 25868 4183 1 8 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.301 -0.055 25868 4184 1 8 . 1 1 99 99 GLN H H 99 8.077 8.077 8.107 -0.030 25868 4185 1 8 . 1 1 100 100 ALA N N 100 122.106 122.106 122.422 -0.316 25868 4186 1 8 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.219 0.086 25868 4187 1 8 . 1 1 100 100 ALA C C 100 179.424 179.424 179.218 0.206 25868 4188 1 8 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.251 -0.198 25868 4189 1 8 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.226 -0.673 25868 4190 1 8 . 1 1 100 100 ALA H H 100 7.944 7.944 7.971 -0.027 25868 4191 1 8 . 1 1 101 101 GLU N N 101 117.817 117.817 117.818 -0.001 25868 4192 1 8 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.289 0.067 25868 4193 1 8 . 1 1 101 101 GLU C C 101 177.415 177.415 177.483 -0.068 25868 4194 1 8 . 1 1 101 101 GLU CA C 101 57.013 57.013 58.058 -1.045 25868 4195 1 8 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.666 -0.268 25868 4196 1 8 . 1 1 101 101 GLU H H 101 8.162 8.162 8.148 0.014 25868 4197 1 8 . 1 1 102 102 GLN N N 102 118.194 118.194 119.157 -0.963 25868 4198 1 8 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.506 -0.172 25868 4199 1 8 . 1 1 102 102 GLN C C 102 175.755 175.755 174.390 1.365 25868 4200 1 8 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.137 1.190 25868 4201 1 8 . 1 1 102 102 GLN CB C 102 29.294 29.294 29.904 -0.609 25868 4202 1 8 . 1 1 102 102 GLN H H 102 8.094 8.094 7.896 0.198 25868 4203 1 8 . 1 1 103 103 ASN N N 103 119.032 119.032 120.148 -1.116 25868 4204 1 8 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.879 -0.089 25868 4205 1 8 . 1 1 103 103 ASN C C 103 173.949 173.949 173.892 0.057 25868 4206 1 8 . 1 1 103 103 ASN CA C 103 53.029 53.029 52.136 0.893 25868 4207 1 8 . 1 1 103 103 ASN CB C 103 39.050 39.050 40.305 -1.255 25868 4208 1 8 . 1 1 103 103 ASN H H 103 8.149 8.149 8.399 -0.250 25868 4209 1 9 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.603 -0.029 25868 4210 1 9 . 1 1 2 2 ASP C C 2 176.630 176.630 176.293 0.337 25868 4211 1 9 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.253 0.789 25868 4212 1 9 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.956 -1.055 25868 4213 1 9 . 1 1 3 3 GLU N N 3 121.683 121.683 120.776 0.907 25868 4214 1 9 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.991 0.189 25868 4215 1 9 . 1 1 3 3 GLU CA C 3 57.896 57.896 58.688 -0.792 25868 4216 1 9 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.699 -0.292 25868 4217 1 9 . 1 1 3 3 GLU H H 3 8.889 8.889 8.825 0.064 25868 4218 1 9 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.263 0.182 25868 4219 1 9 . 1 1 4 4 ASN C C 4 176.095 176.095 177.287 -1.192 25868 4220 1 9 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.862 -1.217 25868 4221 1 9 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.455 0.351 25868 4222 1 9 . 1 1 5 5 ILE N N 5 119.355 119.355 120.564 -1.209 25868 4223 1 9 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.755 0.122 25868 4224 1 9 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.088 -1.007 25868 4225 1 9 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.803 -0.112 25868 4226 1 9 . 1 1 5 5 ILE H H 5 8.018 8.018 7.352 0.666 25868 4227 1 9 . 1 1 6 6 ALA N N 6 123.430 123.430 121.224 2.206 25868 4228 1 9 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.276 -0.027 25868 4229 1 9 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.754 -0.583 25868 4230 1 9 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.178 0.066 25868 4231 1 9 . 1 1 6 6 ALA H H 6 8.041 8.041 7.780 0.261 25868 4232 1 9 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.954 0.076 25868 4233 1 9 . 1 1 7 7 LYS C C 7 178.778 178.778 178.844 -0.066 25868 4234 1 9 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.582 0.172 25868 4235 1 9 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.859 0.154 25868 4236 1 9 . 1 1 8 8 PHE N N 8 120.439 120.439 116.643 3.796 25868 4237 1 9 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.281 0.393 25868 4238 1 9 . 1 1 8 8 PHE C C 8 177.470 177.470 177.696 -0.226 25868 4239 1 9 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.658 -1.503 25868 4240 1 9 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.328 0.948 25868 4241 1 9 . 1 1 8 8 PHE H H 8 7.908 7.908 7.368 0.540 25868 4242 1 9 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.080 0.049 25868 4243 1 9 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.105 0.007 25868 4244 1 9 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.149 0.645 25868 4245 1 9 . 1 1 11 11 ALA N N 11 122.712 122.712 120.816 1.896 25868 4246 1 9 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.247 -0.041 25868 4247 1 9 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.407 0.763 25868 4248 1 9 . 1 1 11 11 ALA CB C 11 18.261 18.261 18.972 -0.711 25868 4249 1 9 . 1 1 11 11 ALA H H 11 7.945 7.945 7.546 0.399 25868 4250 1 9 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.368 -0.247 25868 4251 1 9 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.193 0.973 25868 4252 1 9 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.745 -0.745 25868 4253 1 9 . 1 1 13 13 LYS N N 13 120.452 120.452 126.283 -5.831 25868 4254 1 9 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.465 -0.425 25868 4255 1 9 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.517 3.296 25868 4256 1 9 . 1 1 13 13 LYS CB C 13 32.327 32.327 32.533 -0.207 25868 4257 1 9 . 1 1 13 13 LYS H H 13 8.017 8.017 7.909 0.108 25868 4258 1 9 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.387 -0.233 25868 4259 1 9 . 1 1 14 14 LYS CA C 14 57.675 57.675 57.044 0.631 25868 4260 1 9 . 1 1 14 14 LYS CB C 14 32.196 32.196 32.037 0.159 25868 4261 1 9 . 1 1 14 14 LYS H H 14 8.011 8.011 8.150 -0.139 25868 4262 1 9 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.449 -0.177 25868 4263 1 9 . 1 1 15 15 ALA C C 15 179.056 179.056 176.948 2.108 25868 4264 1 9 . 1 1 15 15 ALA CA C 15 53.971 53.971 51.117 2.854 25868 4265 1 9 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.935 -1.251 25868 4266 1 9 . 1 1 16 16 GLU N N 16 120.136 120.136 124.455 -4.319 25868 4267 1 9 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.497 -0.282 25868 4268 1 9 . 1 1 16 16 GLU C C 16 179.176 179.176 175.090 4.086 25868 4269 1 9 . 1 1 16 16 GLU CA C 16 58.499 58.499 53.609 4.890 25868 4270 1 9 . 1 1 16 16 GLU CB C 16 29.915 29.915 31.420 -1.505 25868 4271 1 9 . 1 1 16 16 GLU H H 16 8.599 8.599 8.597 0.002 25868 4272 1 9 . 1 1 17 17 GLU N N 17 120.683 120.683 120.357 0.326 25868 4273 1 9 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.220 -0.146 25868 4274 1 9 . 1 1 17 17 GLU CA C 17 58.104 58.104 55.938 2.166 25868 4275 1 9 . 1 1 17 17 GLU CB C 17 29.718 29.718 27.430 2.288 25868 4276 1 9 . 1 1 17 17 GLU H H 17 8.009 8.009 8.572 -0.563 25868 4277 1 9 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.545 -0.215 25868 4278 1 9 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.363 0.135 25868 4279 1 9 . 1 1 18 18 LEU CB C 18 41.969 41.969 45.930 -3.961 25868 4280 1 9 . 1 1 18 18 LEU H H 18 7.614 7.614 7.719 -0.105 25868 4281 1 9 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.680 -0.271 25868 4282 1 9 . 1 1 19 19 ASN C C 19 174.609 174.609 174.766 -0.157 25868 4283 1 9 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.340 -0.664 25868 4284 1 9 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.692 0.133 25868 4285 1 9 . 1 1 20 20 GLN N N 20 118.736 118.736 118.734 0.002 25868 4286 1 9 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.360 0.100 25868 4287 1 9 . 1 1 20 20 GLN C C 20 176.659 176.659 176.616 0.043 25868 4288 1 9 . 1 1 20 20 GLN CA C 20 54.688 54.688 56.156 -1.468 25868 4289 1 9 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.007 -0.843 25868 4290 1 9 . 1 1 20 20 GLN H H 20 8.340 8.340 8.358 -0.018 25868 4291 1 9 . 1 1 21 21 GLY N N 21 111.864 111.864 109.952 1.912 25868 4292 1 9 . 1 1 21 21 GLY CA C 21 47.053 47.053 47.450 -0.397 25868 4293 1 9 . 1 1 21 21 GLY H H 21 8.455 8.455 8.331 0.124 25868 4294 1 9 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.088 0.175 25868 4295 1 9 . 1 1 23 23 LEU C C 23 179.620 179.620 177.703 1.917 25868 4296 1 9 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.200 0.194 25868 4297 1 9 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.157 -0.606 25868 4298 1 9 . 1 1 24 24 MET N N 24 120.657 120.657 116.217 4.440 25868 4299 1 9 . 1 1 24 24 MET HA H 24 4.077 4.077 4.383 -0.306 25868 4300 1 9 . 1 1 24 24 MET CB C 24 34.035 34.035 33.835 0.200 25868 4301 1 9 . 1 1 24 24 MET H H 24 8.219 8.219 7.366 0.853 25868 4302 1 9 . 1 1 25 25 GLY N N 25 106.956 106.956 107.364 -0.408 25868 4303 1 9 . 1 1 25 25 GLY C C 25 175.016 175.016 175.358 -0.342 25868 4304 1 9 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.433 1.338 25868 4305 1 9 . 1 1 25 25 GLY H H 25 8.589 8.589 8.383 0.206 25868 4306 1 9 . 1 1 26 26 ARG N N 26 119.970 119.970 123.539 -3.569 25868 4307 1 9 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.381 -0.165 25868 4308 1 9 . 1 1 26 26 ARG C C 26 177.966 177.966 177.618 0.348 25868 4309 1 9 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.536 0.191 25868 4310 1 9 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.035 0.228 25868 4311 1 9 . 1 1 26 26 ARG H H 26 8.297 8.297 7.963 0.334 25868 4312 1 9 . 1 1 27 27 ALA N N 27 121.499 121.499 120.863 0.636 25868 4313 1 9 . 1 1 27 27 ALA HA H 27 4.264 4.264 3.996 0.268 25868 4314 1 9 . 1 1 27 27 ALA C C 27 179.878 179.878 179.592 0.286 25868 4315 1 9 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.919 0.781 25868 4316 1 9 . 1 1 27 27 ALA CB C 27 18.323 18.323 17.971 0.352 25868 4317 1 9 . 1 1 27 27 ALA H H 27 7.816 7.816 8.539 -0.723 25868 4318 1 9 . 1 1 28 28 LEU N N 28 117.285 117.285 119.696 -2.411 25868 4319 1 9 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.915 0.112 25868 4320 1 9 . 1 1 28 28 LEU C C 28 178.158 178.158 178.943 -0.785 25868 4321 1 9 . 1 1 28 28 LEU CA C 28 58.094 58.094 56.910 1.184 25868 4322 1 9 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.724 0.530 25868 4323 1 9 . 1 1 28 28 LEU H H 28 8.066 8.066 7.840 0.226 25868 4324 1 9 . 1 1 29 29 TYR N N 29 119.594 119.594 121.175 -1.581 25868 4325 1 9 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.352 -0.358 25868 4326 1 9 . 1 1 29 29 TYR C C 29 176.382 176.382 177.659 -1.277 25868 4327 1 9 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.794 0.873 25868 4328 1 9 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.567 0.343 25868 4329 1 9 . 1 1 29 29 TYR H H 29 8.568 8.568 8.511 0.057 25868 4330 1 9 . 1 1 30 30 ASN N N 30 116.978 116.978 117.671 -0.693 25868 4331 1 9 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.147 0.114 25868 4332 1 9 . 1 1 30 30 ASN C C 30 178.521 178.521 177.359 1.162 25868 4333 1 9 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.297 -0.373 25868 4334 1 9 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.921 -1.458 25868 4335 1 9 . 1 1 30 30 ASN H H 30 8.290 8.290 8.021 0.269 25868 4336 1 9 . 1 1 31 31 ILE N N 31 122.107 122.107 120.275 1.832 25868 4337 1 9 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.623 -0.266 25868 4338 1 9 . 1 1 31 31 ILE C C 31 178.007 178.007 177.541 0.466 25868 4339 1 9 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.021 1.176 25868 4340 1 9 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.282 0.404 25868 4341 1 9 . 1 1 31 31 ILE H H 31 8.006 8.006 7.389 0.617 25868 4342 1 9 . 1 1 32 32 GLY N N 32 107.810 107.810 108.006 -0.196 25868 4343 1 9 . 1 1 32 32 GLY C C 32 175.187 175.187 175.649 -0.462 25868 4344 1 9 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.849 1.671 25868 4345 1 9 . 1 1 32 32 GLY H H 32 7.880 7.880 7.933 -0.053 25868 4346 1 9 . 1 1 33 33 LEU N N 33 120.587 120.587 122.080 -1.493 25868 4347 1 9 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.020 0.036 25868 4348 1 9 . 1 1 33 33 LEU C C 33 180.635 180.635 179.223 1.412 25868 4349 1 9 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.830 0.321 25868 4350 1 9 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.596 0.081 25868 4351 1 9 . 1 1 33 33 LEU H H 33 8.117 8.117 7.715 0.402 25868 4352 1 9 . 1 1 34 34 GLU N N 34 120.332 120.332 119.030 1.302 25868 4353 1 9 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.019 -0.046 25868 4354 1 9 . 1 1 34 34 GLU C C 34 179.479 179.479 179.411 0.068 25868 4355 1 9 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.397 -0.535 25868 4356 1 9 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.983 0.168 25868 4357 1 9 . 1 1 34 34 GLU H H 34 7.763 7.763 7.998 -0.235 25868 4358 1 9 . 1 1 35 35 LYS N N 35 118.642 118.642 118.989 -0.347 25868 4359 1 9 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.078 -0.165 25868 4360 1 9 . 1 1 35 35 LYS C C 35 179.149 179.149 178.604 0.545 25868 4361 1 9 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.763 -0.921 25868 4362 1 9 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.123 -1.409 25868 4363 1 9 . 1 1 35 35 LYS H H 35 8.573 8.573 7.907 0.666 25868 4364 1 9 . 1 1 36 36 ASN N N 36 119.047 119.047 117.289 1.758 25868 4365 1 9 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.451 -0.143 25868 4366 1 9 . 1 1 36 36 ASN C C 36 179.782 179.782 177.691 2.091 25868 4367 1 9 . 1 1 36 36 ASN CA C 36 55.659 55.659 56.250 -0.591 25868 4368 1 9 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.576 -0.384 25868 4369 1 9 . 1 1 36 36 ASN H H 36 8.348 8.348 8.226 0.122 25868 4370 1 9 . 1 1 37 37 LYS N N 37 121.477 121.477 121.352 0.125 25868 4371 1 9 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.124 -0.040 25868 4372 1 9 . 1 1 37 37 LYS C C 37 177.938 177.938 178.065 -0.127 25868 4373 1 9 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.459 0.831 25868 4374 1 9 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.346 -0.137 25868 4375 1 9 . 1 1 37 37 LYS H H 37 7.956 7.956 7.991 -0.035 25868 4376 1 9 . 1 1 38 38 MET N N 38 114.976 114.976 116.294 -1.318 25868 4377 1 9 . 1 1 38 38 MET HA H 38 4.519 4.519 4.467 0.052 25868 4378 1 9 . 1 1 38 38 MET C C 38 175.847 175.847 176.191 -0.344 25868 4379 1 9 . 1 1 38 38 MET CA C 38 55.264 55.264 55.485 -0.221 25868 4380 1 9 . 1 1 38 38 MET CB C 38 33.388 33.388 32.998 0.390 25868 4381 1 9 . 1 1 38 38 MET H H 38 7.394 7.394 7.488 -0.094 25868 4382 1 9 . 1 1 39 39 GLY N N 39 107.575 107.575 106.964 0.611 25868 4383 1 9 . 1 1 39 39 GLY C C 39 174.994 174.994 175.123 -0.129 25868 4384 1 9 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.489 0.263 25868 4385 1 9 . 1 1 39 39 GLY H H 39 7.906 7.906 7.645 0.261 25868 4386 1 9 . 1 1 40 40 LYS N N 40 122.563 122.563 122.638 -0.075 25868 4387 1 9 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.258 0.478 25868 4388 1 9 . 1 1 40 40 LYS C C 40 175.847 175.847 175.447 0.400 25868 4389 1 9 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.325 -1.945 25868 4390 1 9 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.816 -0.394 25868 4391 1 9 . 1 1 40 40 LYS H H 40 7.958 7.958 7.948 0.010 25868 4392 1 9 . 1 1 41 41 ALA N N 41 123.662 123.662 124.088 -0.426 25868 4393 1 9 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.209 -0.074 25868 4394 1 9 . 1 1 41 41 ALA C C 41 178.736 178.736 178.723 0.013 25868 4395 1 9 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.388 1.341 25868 4396 1 9 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.989 0.977 25868 4397 1 9 . 1 1 41 41 ALA H H 41 7.487 7.487 8.103 -0.616 25868 4398 1 9 . 1 1 42 42 ARG N N 42 118.612 118.612 119.411 -0.799 25868 4399 1 9 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.038 -0.038 25868 4400 1 9 . 1 1 42 42 ARG C C 42 178.901 178.901 177.943 0.958 25868 4401 1 9 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.858 -0.061 25868 4402 1 9 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.398 -0.524 25868 4403 1 9 . 1 1 42 42 ARG H H 42 8.864 8.864 8.568 0.296 25868 4404 1 9 . 1 1 43 43 GLU N N 43 120.194 120.194 118.426 1.768 25868 4405 1 9 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.733 0.390 25868 4406 1 9 . 1 1 43 43 GLU C C 43 178.901 178.901 178.516 0.385 25868 4407 1 9 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.355 0.083 25868 4408 1 9 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.117 0.817 25868 4409 1 9 . 1 1 43 43 GLU H H 43 8.062 8.062 8.623 -0.561 25868 4410 1 9 . 1 1 44 44 ALA N N 44 121.369 121.369 122.261 -0.892 25868 4411 1 9 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.877 -0.304 25868 4412 1 9 . 1 1 44 44 ALA C C 44 177.911 177.911 179.084 -1.173 25868 4413 1 9 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.965 0.797 25868 4414 1 9 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.116 0.432 25868 4415 1 9 . 1 1 44 44 ALA H H 44 8.627 8.627 7.904 0.723 25868 4416 1 9 . 1 1 45 45 ALA N N 45 117.108 117.108 119.951 -2.843 25868 4417 1 9 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.200 -0.115 25868 4418 1 9 . 1 1 45 45 ALA C C 45 178.078 178.078 179.396 -1.318 25868 4419 1 9 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.016 0.560 25868 4420 1 9 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.147 -0.707 25868 4421 1 9 . 1 1 45 45 ALA H H 45 8.310 8.310 7.788 0.522 25868 4422 1 9 . 1 1 46 46 GLU N N 46 115.941 115.941 120.272 -4.331 25868 4423 1 9 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.081 -0.162 25868 4424 1 9 . 1 1 46 46 GLU C C 46 179.341 179.341 179.036 0.305 25868 4425 1 9 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.257 0.500 25868 4426 1 9 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.326 -0.189 25868 4427 1 9 . 1 1 46 46 GLU H H 46 7.451 7.451 7.562 -0.111 25868 4428 1 9 . 1 1 47 47 TYR N N 47 117.925 117.925 118.545 -0.620 25868 4429 1 9 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.270 -0.425 25868 4430 1 9 . 1 1 47 47 TYR C C 47 178.544 178.544 178.740 -0.196 25868 4431 1 9 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.837 3.827 25868 4432 1 9 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.003 -0.689 25868 4433 1 9 . 1 1 47 47 TYR H H 47 7.746 7.746 7.756 -0.010 25868 4434 1 9 . 1 1 48 48 PHE N N 48 118.758 118.758 118.869 -0.111 25868 4435 1 9 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.459 0.289 25868 4436 1 9 . 1 1 48 48 PHE C C 48 178.227 178.227 178.150 0.077 25868 4437 1 9 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.060 -0.507 25868 4438 1 9 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.193 -0.044 25868 4439 1 9 . 1 1 48 48 PHE H H 48 9.054 9.054 8.392 0.662 25868 4440 1 9 . 1 1 49 49 PHE N N 49 120.234 120.234 121.566 -1.332 25868 4441 1 9 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.339 0.159 25868 4442 1 9 . 1 1 49 49 PHE C C 49 176.645 176.645 177.179 -0.534 25868 4443 1 9 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.131 0.090 25868 4444 1 9 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.015 1.274 25868 4445 1 9 . 1 1 49 49 PHE H H 49 8.981 8.981 8.184 0.797 25868 4446 1 9 . 1 1 50 50 ARG N N 50 117.925 117.925 119.040 -1.115 25868 4447 1 9 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.740 0.040 25868 4448 1 9 . 1 1 50 50 ARG C C 50 179.369 179.369 178.648 0.721 25868 4449 1 9 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.483 0.346 25868 4450 1 9 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.932 0.591 25868 4451 1 9 . 1 1 50 50 ARG H H 50 8.450 8.450 7.971 0.479 25868 4452 1 9 . 1 1 51 51 ALA N N 51 120.897 120.897 121.291 -0.394 25868 4453 1 9 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.973 -0.257 25868 4454 1 9 . 1 1 51 51 ALA C C 51 177.085 177.085 178.892 -1.807 25868 4455 1 9 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.848 0.250 25868 4456 1 9 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.516 -1.250 25868 4457 1 9 . 1 1 51 51 ALA H H 51 8.697 8.697 8.193 0.504 25868 4458 1 9 . 1 1 52 52 ALA N N 52 120.007 120.007 121.805 -1.798 25868 4459 1 9 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.306 -0.237 25868 4460 1 9 . 1 1 52 52 ALA C C 52 178.067 178.067 179.780 -1.713 25868 4461 1 9 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.009 1.099 25868 4462 1 9 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.682 -1.429 25868 4463 1 9 . 1 1 52 52 ALA H H 52 8.483 8.483 7.736 0.747 25868 4464 1 9 . 1 1 53 53 ILE N N 53 116.864 116.864 118.761 -1.897 25868 4465 1 9 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.107 0.076 25868 4466 1 9 . 1 1 53 53 ILE C C 53 178.323 178.323 177.554 0.769 25868 4467 1 9 . 1 1 53 53 ILE CA C 53 65.765 65.765 64.976 0.789 25868 4468 1 9 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.294 1.183 25868 4469 1 9 . 1 1 53 53 ILE H H 53 8.033 8.033 7.927 0.106 25868 4470 1 9 . 1 1 54 54 VAL N N 54 119.604 119.604 119.433 0.171 25868 4471 1 9 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.598 -0.107 25868 4472 1 9 . 1 1 54 54 VAL C C 54 178.200 178.200 178.152 0.048 25868 4473 1 9 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.586 0.790 25868 4474 1 9 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.839 0.569 25868 4475 1 9 . 1 1 54 54 VAL H H 54 7.126 7.126 7.050 0.076 25868 4476 1 9 . 1 1 55 55 PHE N N 55 118.386 118.386 118.019 0.367 25868 4477 1 9 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.133 0.403 25868 4478 1 9 . 1 1 55 55 PHE C C 55 178.571 178.571 177.629 0.942 25868 4479 1 9 . 1 1 55 55 PHE CA C 55 59.487 59.487 60.986 -1.498 25868 4480 1 9 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.648 0.509 25868 4481 1 9 . 1 1 55 55 PHE H H 55 9.061 9.061 8.074 0.987 25868 4482 1 9 . 1 1 56 56 TYR N N 56 119.488 119.488 120.835 -1.347 25868 4483 1 9 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.968 0.383 25868 4484 1 9 . 1 1 56 56 TYR C C 56 178.871 178.871 176.925 1.946 25868 4485 1 9 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.910 -1.416 25868 4486 1 9 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.356 -0.553 25868 4487 1 9 . 1 1 56 56 TYR H H 56 8.975 8.975 7.880 1.095 25868 4488 1 9 . 1 1 57 57 LYS N N 57 121.083 121.083 117.201 3.882 25868 4489 1 9 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.453 0.010 25868 4490 1 9 . 1 1 57 57 LYS C C 57 178.103 178.103 177.986 0.117 25868 4491 1 9 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.517 0.328 25868 4492 1 9 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.883 -0.157 25868 4493 1 9 . 1 1 57 57 LYS H H 57 7.753 7.753 7.723 0.030 25868 4494 1 9 . 1 1 58 58 GLU N N 58 114.098 114.098 117.724 -3.626 25868 4495 1 9 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.247 -0.090 25868 4496 1 9 . 1 1 58 58 GLU C C 58 175.655 175.655 176.104 -0.449 25868 4497 1 9 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.408 -1.274 25868 4498 1 9 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.296 0.344 25868 4499 1 9 . 1 1 58 58 GLU H H 58 7.849 7.849 7.788 0.061 25868 4500 1 9 . 1 1 59 59 HIS N N 59 115.781 115.781 112.556 3.225 25868 4501 1 9 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.359 -0.149 25868 4502 1 9 . 1 1 59 59 HIS C C 59 173.784 173.784 174.318 -0.534 25868 4503 1 9 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.990 -0.579 25868 4504 1 9 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.994 -1.156 25868 4505 1 9 . 1 1 59 59 HIS H H 59 7.659 7.659 7.709 -0.050 25868 4506 1 9 . 1 1 60 60 ASP N N 60 118.780 118.780 120.248 -1.468 25868 4507 1 9 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.720 0.139 25868 4508 1 9 . 1 1 60 60 ASP C C 60 175.847 175.847 176.755 -0.908 25868 4509 1 9 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.500 -1.697 25868 4510 1 9 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.828 -0.697 25868 4511 1 9 . 1 1 60 60 ASP H H 60 8.660 8.660 8.012 0.648 25868 4512 1 9 . 1 1 61 61 THR N N 61 118.884 118.884 118.888 -0.004 25868 4513 1 9 . 1 1 61 61 THR HA H 61 3.763 3.763 3.994 -0.231 25868 4514 1 9 . 1 1 61 61 THR C C 61 175.886 175.886 176.164 -0.278 25868 4515 1 9 . 1 1 61 61 THR CA C 61 66.159 66.159 66.276 -0.117 25868 4516 1 9 . 1 1 61 61 THR CB C 61 68.168 68.168 68.675 -0.507 25868 4517 1 9 . 1 1 61 61 THR H H 61 7.955 7.955 8.078 -0.123 25868 4518 1 9 . 1 1 62 62 ASP N N 62 121.668 121.668 122.008 -0.340 25868 4519 1 9 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.330 -0.068 25868 4520 1 9 . 1 1 62 62 ASP C C 62 178.461 178.461 178.203 0.258 25868 4521 1 9 . 1 1 62 62 ASP CA C 62 57.449 57.449 56.877 0.573 25868 4522 1 9 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.327 0.608 25868 4523 1 9 . 1 1 62 62 ASP H H 62 8.298 8.298 8.134 0.164 25868 4524 1 9 . 1 1 63 63 GLY N N 63 109.003 109.003 107.118 1.885 25868 4525 1 9 . 1 1 63 63 GLY C C 63 175.517 175.517 175.669 -0.152 25868 4526 1 9 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.163 -0.104 25868 4527 1 9 . 1 1 63 63 GLY H H 63 8.018 8.018 8.164 -0.146 25868 4528 1 9 . 1 1 64 64 LEU N N 64 122.504 122.504 122.945 -0.441 25868 4529 1 9 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.290 -0.208 25868 4530 1 9 . 1 1 64 64 LEU C C 64 177.333 177.333 178.262 -0.929 25868 4531 1 9 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.096 1.397 25868 4532 1 9 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.946 0.161 25868 4533 1 9 . 1 1 64 64 LEU H H 64 8.073 8.073 7.932 0.141 25868 4534 1 9 . 1 1 65 65 ARG N N 65 118.626 118.626 118.974 -0.348 25868 4535 1 9 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.981 -0.089 25868 4536 1 9 . 1 1 65 65 ARG C C 65 179.045 179.045 178.402 0.643 25868 4537 1 9 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.681 0.174 25868 4538 1 9 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.052 -0.117 25868 4539 1 9 . 1 1 65 65 ARG H H 65 8.491 8.491 8.279 0.212 25868 4540 1 9 . 1 1 66 66 ARG N N 66 119.009 119.009 119.767 -0.758 25868 4541 1 9 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.995 -0.028 25868 4542 1 9 . 1 1 66 66 ARG C C 66 178.943 178.943 177.738 1.205 25868 4543 1 9 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.199 0.014 25868 4544 1 9 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.918 -0.366 25868 4545 1 9 . 1 1 66 66 ARG H H 66 7.601 7.601 7.710 -0.109 25868 4546 1 9 . 1 1 67 67 ALA N N 67 122.174 122.174 120.446 1.728 25868 4547 1 9 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.270 -0.093 25868 4548 1 9 . 1 1 67 67 ALA C C 67 178.654 178.654 179.537 -0.883 25868 4549 1 9 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.620 1.474 25868 4550 1 9 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.313 -0.434 25868 4551 1 9 . 1 1 67 67 ALA H H 67 8.681 8.681 7.871 0.810 25868 4552 1 9 . 1 1 68 68 ALA N N 68 119.208 119.208 122.001 -2.793 25868 4553 1 9 . 1 1 68 68 ALA HA H 68 3.951 3.951 3.989 -0.038 25868 4554 1 9 . 1 1 68 68 ALA C C 68 179.562 179.562 179.001 0.561 25868 4555 1 9 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.300 0.265 25868 4556 1 9 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.184 -0.343 25868 4557 1 9 . 1 1 68 68 ALA H H 68 9.060 9.060 8.126 0.934 25868 4558 1 9 . 1 1 69 69 LYS N N 69 119.434 119.434 119.111 0.323 25868 4559 1 9 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.953 0.037 25868 4560 1 9 . 1 1 69 69 LYS C C 69 178.929 178.929 178.781 0.148 25868 4561 1 9 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.622 -0.087 25868 4562 1 9 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.384 -0.274 25868 4563 1 9 . 1 1 69 69 LYS H H 69 7.997 7.997 8.059 -0.062 25868 4564 1 9 . 1 1 70 70 SER N N 70 116.406 116.406 114.460 1.946 25868 4565 1 9 . 1 1 70 70 SER HA H 70 3.908 3.908 4.061 -0.153 25868 4566 1 9 . 1 1 70 70 SER C C 70 175.957 175.957 176.125 -0.168 25868 4567 1 9 . 1 1 70 70 SER CA C 70 62.776 62.776 61.316 1.460 25868 4568 1 9 . 1 1 70 70 SER CB C 70 60.389 60.389 62.693 -2.304 25868 4569 1 9 . 1 1 70 70 SER H H 70 8.105 8.105 7.569 0.536 25868 4570 1 9 . 1 1 71 71 LEU N N 71 123.712 123.712 123.353 0.359 25868 4571 1 9 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.282 -0.201 25868 4572 1 9 . 1 1 71 71 LEU C C 71 176.893 176.893 178.022 -1.129 25868 4573 1 9 . 1 1 71 71 LEU CA C 71 58.977 58.977 57.998 0.979 25868 4574 1 9 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.131 0.313 25868 4575 1 9 . 1 1 71 71 LEU H H 71 8.315 8.315 7.870 0.445 25868 4576 1 9 . 1 1 72 72 LYS N N 72 117.431 117.431 116.726 0.705 25868 4577 1 9 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.052 -0.190 25868 4578 1 9 . 1 1 72 72 LYS C C 72 179.617 179.617 178.849 0.768 25868 4579 1 9 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.262 0.278 25868 4580 1 9 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.152 -0.162 25868 4581 1 9 . 1 1 72 72 LYS H H 72 7.785 7.785 7.887 -0.102 25868 4582 1 9 . 1 1 73 73 GLU N N 73 117.402 117.402 117.901 -0.499 25868 4583 1 9 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.349 -0.330 25868 4584 1 9 . 1 1 73 73 GLU C C 73 178.475 178.475 176.347 2.128 25868 4585 1 9 . 1 1 73 73 GLU CA C 73 58.645 58.645 56.476 2.169 25868 4586 1 9 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.294 0.115 25868 4587 1 9 . 1 1 73 73 GLU H H 73 7.920 7.920 7.844 0.076 25868 4588 1 9 . 1 1 74 74 ALA N N 74 122.211 122.211 121.929 0.282 25868 4589 1 9 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.235 0.084 25868 4590 1 9 . 1 1 74 74 ALA C C 74 178.839 178.839 179.016 -0.177 25868 4591 1 9 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.604 -0.226 25868 4592 1 9 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.934 -1.404 25868 4593 1 9 . 1 1 74 74 ALA H H 74 8.010 8.010 7.510 0.500 25868 4594 1 9 . 1 1 75 75 ILE N N 75 113.486 113.486 118.414 -4.928 25868 4595 1 9 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.797 -0.382 25868 4596 1 9 . 1 1 75 75 ILE C C 75 177.333 177.333 178.270 -0.937 25868 4597 1 9 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.350 1.464 25868 4598 1 9 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.583 0.614 25868 4599 1 9 . 1 1 75 75 ILE H H 75 7.405 7.405 7.558 -0.153 25868 4600 1 9 . 1 1 76 76 THR N N 76 105.977 105.977 112.122 -6.145 25868 4601 1 9 . 1 1 76 76 THR HA H 76 3.963 3.963 4.108 -0.145 25868 4602 1 9 . 1 1 76 76 THR C C 76 174.609 174.609 175.082 -0.473 25868 4603 1 9 . 1 1 76 76 THR CA C 76 63.773 63.773 64.379 -0.606 25868 4604 1 9 . 1 1 76 76 THR CB C 76 68.757 68.757 68.337 0.420 25868 4605 1 9 . 1 1 76 76 THR H H 76 7.217 7.217 8.223 -1.006 25868 4606 1 9 . 1 1 77 77 ALA N N 77 122.534 122.534 123.397 -0.863 25868 4607 1 9 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.541 -0.124 25868 4608 1 9 . 1 1 77 77 ALA C C 77 177.085 177.085 177.579 -0.494 25868 4609 1 9 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.687 -0.059 25868 4610 1 9 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.969 -0.188 25868 4611 1 9 . 1 1 77 77 ALA H H 77 7.486 7.486 7.351 0.135 25868 4612 1 9 . 1 1 78 78 ILE N N 78 123.223 123.223 123.034 0.189 25868 4613 1 9 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.092 0.120 25868 4614 1 9 . 1 1 78 78 ILE C C 78 174.939 174.939 173.989 0.950 25868 4615 1 9 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.644 0.154 25868 4616 1 9 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.948 1.668 25868 4617 1 9 . 1 1 78 78 ILE H H 78 7.428 7.428 7.284 0.144 25868 4618 1 9 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.373 0.065 25868 4619 1 9 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.157 0.928 25868 4620 1 9 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.441 -0.132 25868 4621 1 9 . 1 1 83 83 GLY N N 83 105.726 105.726 113.377 -7.651 25868 4622 1 9 . 1 1 83 83 GLY C C 83 175.765 175.765 175.154 0.611 25868 4623 1 9 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.911 0.580 25868 4624 1 9 . 1 1 83 83 GLY H H 83 7.613 7.613 8.527 -0.914 25868 4625 1 9 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.803 0.082 25868 4626 1 9 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.321 2.000 25868 4627 1 9 . 1 1 84 84 ARG CB C 84 30.827 30.827 28.490 2.337 25868 4628 1 9 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.117 -0.133 25868 4629 1 9 . 1 1 86 86 GLU C C 86 179.163 179.163 178.746 0.417 25868 4630 1 9 . 1 1 86 86 GLU CA C 86 59.196 59.196 59.419 -0.223 25868 4631 1 9 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.134 -0.206 25868 4632 1 9 . 1 1 86 86 GLU H H 86 7.965 7.965 7.765 0.200 25868 4633 1 9 . 1 1 87 87 ALA N N 87 122.092 122.092 119.146 2.946 25868 4634 1 9 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.036 0.163 25868 4635 1 9 . 1 1 87 87 ALA C C 87 178.980 178.980 179.374 -0.394 25868 4636 1 9 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.445 0.224 25868 4637 1 9 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.119 0.294 25868 4638 1 9 . 1 1 87 87 ALA H H 87 8.108 8.108 8.134 -0.026 25868 4639 1 9 . 1 1 88 88 LYS N N 88 118.808 118.808 119.345 -0.537 25868 4640 1 9 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.998 -0.104 25868 4641 1 9 . 1 1 88 88 LYS C C 88 179.341 179.341 178.920 0.421 25868 4642 1 9 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.978 1.025 25868 4643 1 9 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.048 0.178 25868 4644 1 9 . 1 1 88 88 LYS H H 88 8.501 8.501 7.652 0.849 25868 4645 1 9 . 1 1 89 89 GLU N N 89 119.454 119.454 118.708 0.746 25868 4646 1 9 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.997 -0.002 25868 4647 1 9 . 1 1 89 89 GLU C C 89 179.017 179.017 179.035 -0.018 25868 4648 1 9 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.915 0.028 25868 4649 1 9 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.321 -0.489 25868 4650 1 9 . 1 1 89 89 GLU H H 89 7.544 7.544 7.779 -0.235 25868 4651 1 9 . 1 1 90 90 MET N N 90 119.262 119.262 117.954 1.308 25868 4652 1 9 . 1 1 90 90 MET HA H 90 3.284 3.284 3.659 -0.375 25868 4653 1 9 . 1 1 90 90 MET C C 90 177.003 177.003 177.996 -0.993 25868 4654 1 9 . 1 1 90 90 MET CA C 90 59.168 59.168 58.355 0.813 25868 4655 1 9 . 1 1 90 90 MET CB C 90 33.468 33.468 31.892 1.576 25868 4656 1 9 . 1 1 90 90 MET H H 90 7.600 7.600 7.297 0.303 25868 4657 1 9 . 1 1 91 91 ALA N N 91 120.041 120.041 122.178 -2.137 25868 4658 1 9 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.941 -0.073 25868 4659 1 9 . 1 1 91 91 ALA C C 91 179.039 179.039 179.116 -0.077 25868 4660 1 9 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.202 -0.172 25868 4661 1 9 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.046 0.038 25868 4662 1 9 . 1 1 91 91 ALA H H 91 8.212 8.212 7.625 0.587 25868 4663 1 9 . 1 1 92 92 LYS N N 92 118.442 118.442 117.881 0.561 25868 4664 1 9 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.012 -0.090 25868 4665 1 9 . 1 1 92 92 LYS C C 92 178.874 178.874 179.051 -0.177 25868 4666 1 9 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.192 -0.071 25868 4667 1 9 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.992 0.251 25868 4668 1 9 . 1 1 92 92 LYS H H 92 7.819 7.819 7.402 0.417 25868 4669 1 9 . 1 1 93 93 LYS N N 93 119.228 119.228 118.612 0.616 25868 4670 1 9 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.522 0.055 25868 4671 1 9 . 1 1 93 93 LYS C C 93 176.618 176.618 178.159 -1.541 25868 4672 1 9 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.494 -0.368 25868 4673 1 9 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.512 -0.367 25868 4674 1 9 . 1 1 93 93 LYS H H 93 7.449 7.449 7.149 0.300 25868 4675 1 9 . 1 1 94 94 ALA N N 94 117.825 117.825 120.698 -2.873 25868 4676 1 9 . 1 1 94 94 ALA HA H 94 3.781 3.781 4.009 -0.228 25868 4677 1 9 . 1 1 94 94 ALA C C 94 178.736 178.736 179.674 -0.938 25868 4678 1 9 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.121 -0.243 25868 4679 1 9 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.416 -1.173 25868 4680 1 9 . 1 1 94 94 ALA H H 94 7.698 7.698 7.433 0.265 25868 4681 1 9 . 1 1 95 95 GLU N N 95 115.361 115.361 118.341 -2.980 25868 4682 1 9 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.010 -0.101 25868 4683 1 9 . 1 1 95 95 GLU C C 95 178.984 178.984 179.215 -0.231 25868 4684 1 9 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.394 -0.014 25868 4685 1 9 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.504 -0.028 25868 4686 1 9 . 1 1 95 95 GLU H H 95 7.907 7.907 7.698 0.209 25868 4687 1 9 . 1 1 96 96 GLU N N 96 121.608 121.608 119.791 1.817 25868 4688 1 9 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.106 -0.157 25868 4689 1 9 . 1 1 96 96 GLU C C 96 180.249 180.249 179.175 1.074 25868 4690 1 9 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.796 0.401 25868 4691 1 9 . 1 1 96 96 GLU CB C 96 28.880 28.880 28.933 -0.053 25868 4692 1 9 . 1 1 96 96 GLU H H 96 7.815 7.815 7.914 -0.099 25868 4693 1 9 . 1 1 97 97 TRP N N 97 122.511 122.511 120.139 2.372 25868 4694 1 9 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.421 -0.023 25868 4695 1 9 . 1 1 97 97 TRP C C 97 178.007 178.007 178.591 -0.584 25868 4696 1 9 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.910 -1.174 25868 4697 1 9 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.322 -0.344 25868 4698 1 9 . 1 1 97 97 TRP H H 97 8.069 8.069 8.379 -0.310 25868 4699 1 9 . 1 1 98 98 LEU N N 98 119.235 119.235 121.257 -2.022 25868 4700 1 9 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.069 0.014 25868 4701 1 9 . 1 1 98 98 LEU C C 98 178.599 178.599 178.948 -0.349 25868 4702 1 9 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.379 -0.725 25868 4703 1 9 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.685 0.280 25868 4704 1 9 . 1 1 98 98 LEU H H 98 8.077 8.077 7.841 0.235 25868 4705 1 9 . 1 1 99 99 GLN N N 99 117.609 117.609 118.385 -0.776 25868 4706 1 9 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.079 0.037 25868 4707 1 9 . 1 1 99 99 GLN C C 99 177.636 177.636 178.318 -0.682 25868 4708 1 9 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.316 -0.596 25868 4709 1 9 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.225 0.021 25868 4710 1 9 . 1 1 99 99 GLN H H 99 8.077 8.077 8.016 0.061 25868 4711 1 9 . 1 1 100 100 ALA N N 100 122.106 122.106 121.130 0.976 25868 4712 1 9 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.173 0.132 25868 4713 1 9 . 1 1 100 100 ALA C C 100 179.424 179.424 179.047 0.377 25868 4714 1 9 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.360 -0.307 25868 4715 1 9 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.860 -0.307 25868 4716 1 9 . 1 1 100 100 ALA H H 100 7.944 7.944 7.963 -0.019 25868 4717 1 9 . 1 1 101 101 GLU N N 101 117.817 117.817 118.225 -0.408 25868 4718 1 9 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.410 -0.054 25868 4719 1 9 . 1 1 101 101 GLU C C 101 177.415 177.415 177.764 -0.349 25868 4720 1 9 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.648 -0.634 25868 4721 1 9 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.491 -0.092 25868 4722 1 9 . 1 1 101 101 GLU H H 101 8.162 8.162 8.093 0.069 25868 4723 1 9 . 1 1 102 102 GLN N N 102 118.194 118.194 118.368 -0.174 25868 4724 1 9 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.405 -0.071 25868 4725 1 9 . 1 1 102 102 GLN C C 102 175.755 175.755 175.299 0.456 25868 4726 1 9 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.401 0.926 25868 4727 1 9 . 1 1 102 102 GLN CB C 102 29.294 29.294 29.954 -0.660 25868 4728 1 9 . 1 1 102 102 GLN H H 102 8.094 8.094 7.689 0.405 25868 4729 1 9 . 1 1 103 103 ASN N N 103 119.032 119.032 118.931 0.101 25868 4730 1 9 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.705 0.085 25868 4731 1 9 . 1 1 103 103 ASN C C 103 173.949 173.949 174.753 -0.804 25868 4732 1 9 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.606 -0.577 25868 4733 1 9 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.703 0.347 25868 4734 1 9 . 1 1 103 103 ASN H H 103 8.149 8.149 8.581 -0.432 25868 4735 1 10 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.200 0.374 25868 4736 1 10 . 1 1 2 2 ASP C C 2 176.630 176.630 176.109 0.521 25868 4737 1 10 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.489 0.553 25868 4738 1 10 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.160 -0.259 25868 4739 1 10 . 1 1 3 3 GLU N N 3 121.683 121.683 120.121 1.562 25868 4740 1 10 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.957 0.223 25868 4741 1 10 . 1 1 3 3 GLU CA C 3 57.896 57.896 58.941 -1.046 25868 4742 1 10 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.688 -0.281 25868 4743 1 10 . 1 1 3 3 GLU H H 3 8.889 8.889 8.607 0.282 25868 4744 1 10 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.295 0.150 25868 4745 1 10 . 1 1 4 4 ASN C C 4 176.095 176.095 177.465 -1.370 25868 4746 1 10 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.563 -0.918 25868 4747 1 10 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.391 0.415 25868 4748 1 10 . 1 1 5 5 ILE N N 5 119.355 119.355 120.923 -1.568 25868 4749 1 10 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.877 0.000 25868 4750 1 10 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.988 -0.907 25868 4751 1 10 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.674 0.017 25868 4752 1 10 . 1 1 5 5 ILE H H 5 8.018 8.018 7.703 0.315 25868 4753 1 10 . 1 1 6 6 ALA N N 6 123.430 123.430 121.517 1.913 25868 4754 1 10 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.960 0.289 25868 4755 1 10 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.080 -0.909 25868 4756 1 10 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.135 0.109 25868 4757 1 10 . 1 1 6 6 ALA H H 6 8.041 8.041 8.289 -0.248 25868 4758 1 10 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.953 0.077 25868 4759 1 10 . 1 1 7 7 LYS C C 7 178.778 178.778 178.831 -0.053 25868 4760 1 10 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.239 -0.485 25868 4761 1 10 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.170 -0.157 25868 4762 1 10 . 1 1 8 8 PHE N N 8 120.439 120.439 117.509 2.930 25868 4763 1 10 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.223 0.451 25868 4764 1 10 . 1 1 8 8 PHE C C 8 177.470 177.470 178.196 -0.726 25868 4765 1 10 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.821 -1.666 25868 4766 1 10 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.192 1.084 25868 4767 1 10 . 1 1 8 8 PHE H H 8 7.908 7.908 7.507 0.401 25868 4768 1 10 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.162 -0.033 25868 4769 1 10 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.141 -0.029 25868 4770 1 10 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.451 0.343 25868 4771 1 10 . 1 1 11 11 ALA N N 11 122.712 122.712 120.918 1.794 25868 4772 1 10 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.226 -0.020 25868 4773 1 10 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.096 1.074 25868 4774 1 10 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.095 -0.834 25868 4775 1 10 . 1 1 11 11 ALA H H 11 7.945 7.945 7.532 0.413 25868 4776 1 10 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.323 -0.202 25868 4777 1 10 . 1 1 12 12 TYR CA C 12 59.166 59.166 59.032 0.134 25868 4778 1 10 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.578 -0.578 25868 4779 1 10 . 1 1 13 13 LYS N N 13 120.452 120.452 128.219 -7.767 25868 4780 1 10 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.265 -0.225 25868 4781 1 10 . 1 1 13 13 LYS CA C 13 57.813 57.813 57.263 0.550 25868 4782 1 10 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.164 -0.837 25868 4783 1 10 . 1 1 13 13 LYS H H 13 8.017 8.017 8.289 -0.272 25868 4784 1 10 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.576 -0.422 25868 4785 1 10 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.260 1.415 25868 4786 1 10 . 1 1 14 14 LYS CB C 14 32.196 32.196 34.088 -1.892 25868 4787 1 10 . 1 1 14 14 LYS H H 14 8.011 8.011 7.819 0.192 25868 4788 1 10 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.772 -0.500 25868 4789 1 10 . 1 1 15 15 ALA C C 15 179.056 179.056 179.032 0.024 25868 4790 1 10 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.276 1.695 25868 4791 1 10 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.823 -1.139 25868 4792 1 10 . 1 1 16 16 GLU N N 16 120.136 120.136 118.814 1.322 25868 4793 1 10 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.119 0.096 25868 4794 1 10 . 1 1 16 16 GLU C C 16 179.176 179.176 177.350 1.826 25868 4795 1 10 . 1 1 16 16 GLU CA C 16 58.499 58.499 58.621 -0.122 25868 4796 1 10 . 1 1 16 16 GLU CB C 16 29.915 29.915 29.506 0.409 25868 4797 1 10 . 1 1 16 16 GLU H H 16 8.599 8.599 8.421 0.178 25868 4798 1 10 . 1 1 17 17 GLU N N 17 120.683 120.683 117.002 3.681 25868 4799 1 10 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.277 -0.203 25868 4800 1 10 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.357 1.747 25868 4801 1 10 . 1 1 17 17 GLU CB C 17 29.718 29.718 30.009 -0.291 25868 4802 1 10 . 1 1 17 17 GLU H H 17 8.009 8.009 8.333 -0.324 25868 4803 1 10 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.369 -0.039 25868 4804 1 10 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.035 0.464 25868 4805 1 10 . 1 1 18 18 LEU CB C 18 41.969 41.969 42.837 -0.868 25868 4806 1 10 . 1 1 18 18 LEU H H 18 7.614 7.614 7.137 0.477 25868 4807 1 10 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.452 -0.043 25868 4808 1 10 . 1 1 19 19 ASN C C 19 174.609 174.609 175.558 -0.949 25868 4809 1 10 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.318 -0.642 25868 4810 1 10 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.819 -0.994 25868 4811 1 10 . 1 1 20 20 GLN N N 20 118.736 118.736 118.145 0.591 25868 4812 1 10 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.464 -0.004 25868 4813 1 10 . 1 1 20 20 GLN C C 20 176.659 176.659 175.395 1.264 25868 4814 1 10 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.126 -0.438 25868 4815 1 10 . 1 1 20 20 GLN CB C 20 28.164 28.164 28.609 -0.445 25868 4816 1 10 . 1 1 20 20 GLN H H 20 8.340 8.340 7.758 0.582 25868 4817 1 10 . 1 1 21 21 GLY N N 21 111.864 111.864 112.163 -0.299 25868 4818 1 10 . 1 1 21 21 GLY CA C 21 47.053 47.053 45.435 1.618 25868 4819 1 10 . 1 1 21 21 GLY H H 21 8.455 8.455 8.462 -0.007 25868 4820 1 10 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.190 0.073 25868 4821 1 10 . 1 1 23 23 LEU C C 23 179.620 179.620 177.726 1.894 25868 4822 1 10 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.866 -0.472 25868 4823 1 10 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.801 -0.250 25868 4824 1 10 . 1 1 24 24 MET N N 24 120.657 120.657 116.138 4.519 25868 4825 1 10 . 1 1 24 24 MET HA H 24 4.077 4.077 4.194 -0.117 25868 4826 1 10 . 1 1 24 24 MET CB C 24 34.035 34.035 32.296 1.739 25868 4827 1 10 . 1 1 24 24 MET H H 24 8.219 8.219 7.289 0.930 25868 4828 1 10 . 1 1 25 25 GLY N N 25 106.956 106.956 107.517 -0.561 25868 4829 1 10 . 1 1 25 25 GLY C C 25 175.016 175.016 175.658 -0.642 25868 4830 1 10 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.600 1.171 25868 4831 1 10 . 1 1 25 25 GLY H H 25 8.589 8.589 8.606 -0.017 25868 4832 1 10 . 1 1 26 26 ARG N N 26 119.970 119.970 123.216 -3.246 25868 4833 1 10 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.422 -0.206 25868 4834 1 10 . 1 1 26 26 ARG C C 26 177.966 177.966 177.789 0.177 25868 4835 1 10 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.685 0.042 25868 4836 1 10 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.258 0.005 25868 4837 1 10 . 1 1 26 26 ARG H H 26 8.297 8.297 7.793 0.504 25868 4838 1 10 . 1 1 27 27 ALA N N 27 121.499 121.499 122.084 -0.585 25868 4839 1 10 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.159 0.105 25868 4840 1 10 . 1 1 27 27 ALA C C 27 179.878 179.878 179.774 0.104 25868 4841 1 10 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.866 0.834 25868 4842 1 10 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.081 0.242 25868 4843 1 10 . 1 1 27 27 ALA H H 27 7.816 7.816 8.420 -0.604 25868 4844 1 10 . 1 1 28 28 LEU N N 28 117.285 117.285 118.857 -1.572 25868 4845 1 10 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.031 -0.004 25868 4846 1 10 . 1 1 28 28 LEU C C 28 178.158 178.158 178.926 -0.768 25868 4847 1 10 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.669 0.425 25868 4848 1 10 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.617 0.638 25868 4849 1 10 . 1 1 28 28 LEU H H 28 8.066 8.066 8.071 -0.005 25868 4850 1 10 . 1 1 29 29 TYR N N 29 119.594 119.594 120.008 -0.414 25868 4851 1 10 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.367 -0.373 25868 4852 1 10 . 1 1 29 29 TYR C C 29 176.382 176.382 177.611 -1.229 25868 4853 1 10 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.369 1.298 25868 4854 1 10 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.367 0.543 25868 4855 1 10 . 1 1 29 29 TYR H H 29 8.568 8.568 8.419 0.149 25868 4856 1 10 . 1 1 30 30 ASN N N 30 116.978 116.978 117.841 -0.863 25868 4857 1 10 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.104 0.157 25868 4858 1 10 . 1 1 30 30 ASN C C 30 178.521 178.521 177.450 1.071 25868 4859 1 10 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.421 -0.497 25868 4860 1 10 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.183 -1.720 25868 4861 1 10 . 1 1 30 30 ASN H H 30 8.290 8.290 7.640 0.650 25868 4862 1 10 . 1 1 31 31 ILE N N 31 122.107 122.107 120.199 1.908 25868 4863 1 10 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.543 -0.186 25868 4864 1 10 . 1 1 31 31 ILE C C 31 178.007 178.007 177.633 0.374 25868 4865 1 10 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.978 1.219 25868 4866 1 10 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.212 0.473 25868 4867 1 10 . 1 1 31 31 ILE H H 31 8.006 8.006 7.740 0.266 25868 4868 1 10 . 1 1 32 32 GLY N N 32 107.810 107.810 107.833 -0.023 25868 4869 1 10 . 1 1 32 32 GLY C C 32 175.187 175.187 175.684 -0.497 25868 4870 1 10 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.875 1.645 25868 4871 1 10 . 1 1 32 32 GLY H H 32 7.880 7.880 7.781 0.099 25868 4872 1 10 . 1 1 33 33 LEU N N 33 120.587 120.587 121.792 -1.205 25868 4873 1 10 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.071 -0.015 25868 4874 1 10 . 1 1 33 33 LEU C C 33 180.635 180.635 179.497 1.138 25868 4875 1 10 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.799 0.352 25868 4876 1 10 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.638 0.039 25868 4877 1 10 . 1 1 33 33 LEU H H 33 8.117 8.117 7.811 0.306 25868 4878 1 10 . 1 1 34 34 GLU N N 34 120.332 120.332 118.367 1.965 25868 4879 1 10 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.114 -0.141 25868 4880 1 10 . 1 1 34 34 GLU C C 34 179.479 179.479 179.303 0.176 25868 4881 1 10 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.085 -0.223 25868 4882 1 10 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.141 0.010 25868 4883 1 10 . 1 1 34 34 GLU H H 34 7.763 7.763 7.730 0.033 25868 4884 1 10 . 1 1 35 35 LYS N N 35 118.642 118.642 119.072 -0.430 25868 4885 1 10 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.036 -0.123 25868 4886 1 10 . 1 1 35 35 LYS C C 35 179.149 179.149 178.501 0.648 25868 4887 1 10 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.582 -0.740 25868 4888 1 10 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.093 -1.379 25868 4889 1 10 . 1 1 35 35 LYS H H 35 8.573 8.573 7.872 0.701 25868 4890 1 10 . 1 1 36 36 ASN N N 36 119.047 119.047 117.199 1.848 25868 4891 1 10 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.470 -0.162 25868 4892 1 10 . 1 1 36 36 ASN C C 36 179.782 179.782 177.212 2.570 25868 4893 1 10 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.548 0.111 25868 4894 1 10 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.387 -0.195 25868 4895 1 10 . 1 1 36 36 ASN H H 36 8.348 8.348 8.175 0.173 25868 4896 1 10 . 1 1 37 37 LYS N N 37 121.477 121.477 119.838 1.639 25868 4897 1 10 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.124 -0.040 25868 4898 1 10 . 1 1 37 37 LYS C C 37 177.938 177.938 178.076 -0.138 25868 4899 1 10 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.682 0.608 25868 4900 1 10 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.306 -0.097 25868 4901 1 10 . 1 1 37 37 LYS H H 37 7.956 7.956 7.668 0.288 25868 4902 1 10 . 1 1 38 38 MET N N 38 114.976 114.976 115.868 -0.892 25868 4903 1 10 . 1 1 38 38 MET HA H 38 4.519 4.519 4.399 0.120 25868 4904 1 10 . 1 1 38 38 MET C C 38 175.847 175.847 176.801 -0.954 25868 4905 1 10 . 1 1 38 38 MET CA C 38 55.264 55.264 56.523 -1.260 25868 4906 1 10 . 1 1 38 38 MET CB C 38 33.388 33.388 33.288 0.099 25868 4907 1 10 . 1 1 38 38 MET H H 38 7.394 7.394 7.601 -0.207 25868 4908 1 10 . 1 1 39 39 GLY N N 39 107.575 107.575 106.317 1.258 25868 4909 1 10 . 1 1 39 39 GLY C C 39 174.994 174.994 174.605 0.389 25868 4910 1 10 . 1 1 39 39 GLY CA C 39 45.751 45.751 44.855 0.895 25868 4911 1 10 . 1 1 39 39 GLY H H 39 7.906 7.906 7.351 0.555 25868 4912 1 10 . 1 1 40 40 LYS N N 40 122.563 122.563 123.784 -1.221 25868 4913 1 10 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.278 0.458 25868 4914 1 10 . 1 1 40 40 LYS C C 40 175.847 175.847 175.485 0.362 25868 4915 1 10 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.467 -2.087 25868 4916 1 10 . 1 1 40 40 LYS CB C 40 30.422 30.422 31.180 -0.758 25868 4917 1 10 . 1 1 40 40 LYS H H 40 7.958 7.958 7.841 0.117 25868 4918 1 10 . 1 1 41 41 ALA N N 41 123.662 123.662 124.516 -0.854 25868 4919 1 10 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.254 -0.119 25868 4920 1 10 . 1 1 41 41 ALA C C 41 178.736 178.736 178.430 0.306 25868 4921 1 10 . 1 1 41 41 ALA CA C 41 55.729 55.729 53.883 1.845 25868 4922 1 10 . 1 1 41 41 ALA CB C 41 19.966 19.966 19.092 0.874 25868 4923 1 10 . 1 1 41 41 ALA H H 41 7.487 7.487 8.169 -0.682 25868 4924 1 10 . 1 1 42 42 ARG N N 42 118.612 118.612 119.508 -0.896 25868 4925 1 10 . 1 1 42 42 ARG HA H 42 4.000 4.000 3.952 0.048 25868 4926 1 10 . 1 1 42 42 ARG C C 42 178.901 178.901 177.427 1.474 25868 4927 1 10 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.802 -1.005 25868 4928 1 10 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.962 -1.088 25868 4929 1 10 . 1 1 42 42 ARG H H 42 8.864 8.864 8.625 0.239 25868 4930 1 10 . 1 1 43 43 GLU N N 43 120.194 120.194 119.618 0.576 25868 4931 1 10 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.166 -0.043 25868 4932 1 10 . 1 1 43 43 GLU C C 43 178.901 178.901 178.545 0.356 25868 4933 1 10 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.173 0.265 25868 4934 1 10 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.142 0.792 25868 4935 1 10 . 1 1 43 43 GLU H H 43 8.062 8.062 8.285 -0.223 25868 4936 1 10 . 1 1 44 44 ALA N N 44 121.369 121.369 122.178 -0.809 25868 4937 1 10 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.722 -0.149 25868 4938 1 10 . 1 1 44 44 ALA C C 44 177.911 177.911 178.889 -0.978 25868 4939 1 10 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.063 0.699 25868 4940 1 10 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.101 0.447 25868 4941 1 10 . 1 1 44 44 ALA H H 44 8.627 8.627 7.563 1.064 25868 4942 1 10 . 1 1 45 45 ALA N N 45 117.108 117.108 120.445 -3.337 25868 4943 1 10 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.129 -0.044 25868 4944 1 10 . 1 1 45 45 ALA C C 45 178.078 178.078 179.862 -1.784 25868 4945 1 10 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.045 0.530 25868 4946 1 10 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.360 -0.920 25868 4947 1 10 . 1 1 45 45 ALA H H 45 8.310 8.310 7.818 0.492 25868 4948 1 10 . 1 1 46 46 GLU N N 46 115.941 115.941 119.716 -3.775 25868 4949 1 10 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.087 -0.168 25868 4950 1 10 . 1 1 46 46 GLU C C 46 179.341 179.341 179.256 0.085 25868 4951 1 10 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.287 0.470 25868 4952 1 10 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.609 -0.472 25868 4953 1 10 . 1 1 46 46 GLU H H 46 7.451 7.451 7.539 -0.088 25868 4954 1 10 . 1 1 47 47 TYR N N 47 117.925 117.925 119.109 -1.184 25868 4955 1 10 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.239 -0.394 25868 4956 1 10 . 1 1 47 47 TYR C C 47 178.544 178.544 178.645 -0.101 25868 4957 1 10 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.251 3.413 25868 4958 1 10 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.987 -0.673 25868 4959 1 10 . 1 1 47 47 TYR H H 47 7.746 7.746 7.868 -0.122 25868 4960 1 10 . 1 1 48 48 PHE N N 48 118.758 118.758 118.874 -0.116 25868 4961 1 10 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.471 0.277 25868 4962 1 10 . 1 1 48 48 PHE C C 48 178.227 178.227 178.083 0.144 25868 4963 1 10 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.956 -0.403 25868 4964 1 10 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.255 -0.106 25868 4965 1 10 . 1 1 48 48 PHE H H 48 9.054 9.054 8.455 0.599 25868 4966 1 10 . 1 1 49 49 PHE N N 49 120.234 120.234 121.582 -1.348 25868 4967 1 10 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.296 0.202 25868 4968 1 10 . 1 1 49 49 PHE C C 49 176.645 176.645 177.392 -0.747 25868 4969 1 10 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.487 -0.266 25868 4970 1 10 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.163 1.126 25868 4971 1 10 . 1 1 49 49 PHE H H 49 8.981 8.981 8.195 0.786 25868 4972 1 10 . 1 1 50 50 ARG N N 50 117.925 117.925 118.111 -0.186 25868 4973 1 10 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.883 -0.103 25868 4974 1 10 . 1 1 50 50 ARG C C 50 179.369 179.369 178.528 0.841 25868 4975 1 10 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.142 0.687 25868 4976 1 10 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.966 0.557 25868 4977 1 10 . 1 1 50 50 ARG H H 50 8.450 8.450 8.836 -0.386 25868 4978 1 10 . 1 1 51 51 ALA N N 51 120.897 120.897 122.780 -1.883 25868 4979 1 10 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.917 -0.201 25868 4980 1 10 . 1 1 51 51 ALA C C 51 177.085 177.085 178.905 -1.820 25868 4981 1 10 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.187 -0.089 25868 4982 1 10 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.475 -1.209 25868 4983 1 10 . 1 1 51 51 ALA H H 51 8.697 8.697 7.963 0.734 25868 4984 1 10 . 1 1 52 52 ALA N N 52 120.007 120.007 120.881 -0.874 25868 4985 1 10 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.271 -0.202 25868 4986 1 10 . 1 1 52 52 ALA C C 52 178.067 178.067 179.824 -1.757 25868 4987 1 10 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.135 0.973 25868 4988 1 10 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.705 -1.452 25868 4989 1 10 . 1 1 52 52 ALA H H 52 8.483 8.483 8.044 0.439 25868 4990 1 10 . 1 1 53 53 ILE N N 53 116.864 116.864 119.082 -2.218 25868 4991 1 10 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.231 -0.048 25868 4992 1 10 . 1 1 53 53 ILE C C 53 178.323 178.323 177.605 0.718 25868 4993 1 10 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.223 0.542 25868 4994 1 10 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.764 0.712 25868 4995 1 10 . 1 1 53 53 ILE H H 53 8.033 8.033 7.740 0.293 25868 4996 1 10 . 1 1 54 54 VAL N N 54 119.604 119.604 120.252 -0.648 25868 4997 1 10 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.447 0.044 25868 4998 1 10 . 1 1 54 54 VAL C C 54 178.200 178.200 178.129 0.071 25868 4999 1 10 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.477 -0.101 25868 5000 1 10 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.343 0.065 25868 5001 1 10 . 1 1 54 54 VAL H H 54 7.126 7.126 7.547 -0.421 25868 5002 1 10 . 1 1 55 55 PHE N N 55 118.386 118.386 118.053 0.333 25868 5003 1 10 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.131 0.405 25868 5004 1 10 . 1 1 55 55 PHE C C 55 178.571 178.571 177.574 0.997 25868 5005 1 10 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.306 -1.819 25868 5006 1 10 . 1 1 55 55 PHE CB C 55 38.157 38.157 38.094 0.063 25868 5007 1 10 . 1 1 55 55 PHE H H 55 9.061 9.061 8.236 0.825 25868 5008 1 10 . 1 1 56 56 TYR N N 56 119.488 119.488 120.750 -1.262 25868 5009 1 10 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.899 0.452 25868 5010 1 10 . 1 1 56 56 TYR C C 56 178.871 178.871 177.284 1.587 25868 5011 1 10 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.214 -1.720 25868 5012 1 10 . 1 1 56 56 TYR CB C 56 37.803 37.803 37.942 -0.139 25868 5013 1 10 . 1 1 56 56 TYR H H 56 8.975 8.975 7.917 1.058 25868 5014 1 10 . 1 1 57 57 LYS N N 57 121.083 121.083 118.628 2.455 25868 5015 1 10 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.613 -0.150 25868 5016 1 10 . 1 1 57 57 LYS C C 57 178.103 178.103 178.071 0.032 25868 5017 1 10 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.783 0.062 25868 5018 1 10 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.168 -0.443 25868 5019 1 10 . 1 1 57 57 LYS H H 57 7.753 7.753 7.808 -0.055 25868 5020 1 10 . 1 1 58 58 GLU N N 58 114.098 114.098 115.408 -1.310 25868 5021 1 10 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.239 -0.082 25868 5022 1 10 . 1 1 58 58 GLU C C 58 175.655 175.655 176.310 -0.655 25868 5023 1 10 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.971 -0.837 25868 5024 1 10 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.851 -0.211 25868 5025 1 10 . 1 1 58 58 GLU H H 58 7.849 7.849 7.459 0.390 25868 5026 1 10 . 1 1 59 59 HIS N N 59 115.781 115.781 113.488 2.293 25868 5027 1 10 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.232 -0.022 25868 5028 1 10 . 1 1 59 59 HIS C C 59 173.784 173.784 174.072 -0.288 25868 5029 1 10 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.063 -0.652 25868 5030 1 10 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.814 -0.977 25868 5031 1 10 . 1 1 59 59 HIS H H 59 7.659 7.659 7.253 0.406 25868 5032 1 10 . 1 1 60 60 ASP N N 60 118.780 118.780 120.366 -1.586 25868 5033 1 10 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.720 0.139 25868 5034 1 10 . 1 1 60 60 ASP C C 60 175.847 175.847 176.692 -0.845 25868 5035 1 10 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.999 -2.196 25868 5036 1 10 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.571 -0.440 25868 5037 1 10 . 1 1 60 60 ASP H H 60 8.660 8.660 8.157 0.503 25868 5038 1 10 . 1 1 61 61 THR N N 61 118.884 118.884 117.616 1.268 25868 5039 1 10 . 1 1 61 61 THR HA H 61 3.763 3.763 4.019 -0.256 25868 5040 1 10 . 1 1 61 61 THR C C 61 175.886 175.886 176.259 -0.373 25868 5041 1 10 . 1 1 61 61 THR CA C 61 66.159 66.159 65.334 0.825 25868 5042 1 10 . 1 1 61 61 THR CB C 61 68.168 68.168 68.894 -0.726 25868 5043 1 10 . 1 1 61 61 THR H H 61 7.955 7.955 8.013 -0.058 25868 5044 1 10 . 1 1 62 62 ASP N N 62 121.668 121.668 121.600 0.068 25868 5045 1 10 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.399 -0.137 25868 5046 1 10 . 1 1 62 62 ASP C C 62 178.461 178.461 178.187 0.274 25868 5047 1 10 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.076 0.373 25868 5048 1 10 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.465 0.470 25868 5049 1 10 . 1 1 62 62 ASP H H 62 8.298 8.298 8.231 0.067 25868 5050 1 10 . 1 1 63 63 GLY N N 63 109.003 109.003 107.700 1.303 25868 5051 1 10 . 1 1 63 63 GLY C C 63 175.517 175.517 175.601 -0.084 25868 5052 1 10 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.113 -0.054 25868 5053 1 10 . 1 1 63 63 GLY H H 63 8.018 8.018 7.946 0.072 25868 5054 1 10 . 1 1 64 64 LEU N N 64 122.504 122.504 123.066 -0.562 25868 5055 1 10 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.159 -0.077 25868 5056 1 10 . 1 1 64 64 LEU C C 64 177.333 177.333 178.282 -0.949 25868 5057 1 10 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.556 0.937 25868 5058 1 10 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.894 0.213 25868 5059 1 10 . 1 1 64 64 LEU H H 64 8.073 8.073 7.750 0.323 25868 5060 1 10 . 1 1 65 65 ARG N N 65 118.626 118.626 118.738 -0.112 25868 5061 1 10 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.911 -0.019 25868 5062 1 10 . 1 1 65 65 ARG C C 65 179.045 179.045 178.398 0.647 25868 5063 1 10 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.589 0.266 25868 5064 1 10 . 1 1 65 65 ARG CB C 65 29.935 29.935 29.970 -0.035 25868 5065 1 10 . 1 1 65 65 ARG H H 65 8.491 8.491 7.962 0.529 25868 5066 1 10 . 1 1 66 66 ARG N N 66 119.009 119.009 118.921 0.088 25868 5067 1 10 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.002 -0.035 25868 5068 1 10 . 1 1 66 66 ARG C C 66 178.943 178.943 178.353 0.590 25868 5069 1 10 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.144 1.069 25868 5070 1 10 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.247 0.304 25868 5071 1 10 . 1 1 66 66 ARG H H 66 7.601 7.601 7.858 -0.257 25868 5072 1 10 . 1 1 67 67 ALA N N 67 122.174 122.174 121.036 1.138 25868 5073 1 10 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.177 0.000 25868 5074 1 10 . 1 1 67 67 ALA C C 67 178.654 178.654 179.495 -0.841 25868 5075 1 10 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.782 1.312 25868 5076 1 10 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.366 -0.487 25868 5077 1 10 . 1 1 67 67 ALA H H 67 8.681 8.681 7.879 0.802 25868 5078 1 10 . 1 1 68 68 ALA N N 68 119.208 119.208 121.178 -1.970 25868 5079 1 10 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.090 -0.139 25868 5080 1 10 . 1 1 68 68 ALA C C 68 179.562 179.562 179.406 0.156 25868 5081 1 10 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.113 0.452 25868 5082 1 10 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.091 -0.250 25868 5083 1 10 . 1 1 68 68 ALA H H 68 9.060 9.060 7.959 1.101 25868 5084 1 10 . 1 1 69 69 LYS N N 69 119.434 119.434 118.715 0.719 25868 5085 1 10 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.030 -0.040 25868 5086 1 10 . 1 1 69 69 LYS C C 69 178.929 178.929 179.000 -0.071 25868 5087 1 10 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.027 0.508 25868 5088 1 10 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.194 -0.083 25868 5089 1 10 . 1 1 69 69 LYS H H 69 7.997 7.997 7.942 0.055 25868 5090 1 10 . 1 1 70 70 SER N N 70 116.406 116.406 115.050 1.356 25868 5091 1 10 . 1 1 70 70 SER HA H 70 3.908 3.908 4.332 -0.424 25868 5092 1 10 . 1 1 70 70 SER C C 70 175.957 175.957 176.511 -0.554 25868 5093 1 10 . 1 1 70 70 SER CA C 70 62.776 62.776 60.687 2.089 25868 5094 1 10 . 1 1 70 70 SER CB C 70 60.389 60.389 62.495 -2.107 25868 5095 1 10 . 1 1 70 70 SER H H 70 8.105 8.105 7.533 0.572 25868 5096 1 10 . 1 1 71 71 LEU N N 71 123.712 123.712 123.710 0.002 25868 5097 1 10 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.261 -0.180 25868 5098 1 10 . 1 1 71 71 LEU C C 71 176.893 176.893 178.041 -1.148 25868 5099 1 10 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.330 0.647 25868 5100 1 10 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.956 0.488 25868 5101 1 10 . 1 1 71 71 LEU H H 71 8.315 8.315 7.886 0.429 25868 5102 1 10 . 1 1 72 72 LYS N N 72 117.431 117.431 117.108 0.323 25868 5103 1 10 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.976 -0.114 25868 5104 1 10 . 1 1 72 72 LYS C C 72 179.617 179.617 178.810 0.807 25868 5105 1 10 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.499 0.041 25868 5106 1 10 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.862 0.128 25868 5107 1 10 . 1 1 72 72 LYS H H 72 7.785 7.785 7.606 0.179 25868 5108 1 10 . 1 1 73 73 GLU N N 73 117.402 117.402 119.980 -2.578 25868 5109 1 10 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.291 -0.272 25868 5110 1 10 . 1 1 73 73 GLU C C 73 178.475 178.475 178.892 -0.417 25868 5111 1 10 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.266 0.379 25868 5112 1 10 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.521 -0.112 25868 5113 1 10 . 1 1 73 73 GLU H H 73 7.920 7.920 7.776 0.144 25868 5114 1 10 . 1 1 74 74 ALA N N 74 122.211 122.211 123.025 -0.814 25868 5115 1 10 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.241 0.078 25868 5116 1 10 . 1 1 74 74 ALA C C 74 178.839 178.839 179.335 -0.496 25868 5117 1 10 . 1 1 74 74 ALA CA C 74 54.378 54.378 55.059 -0.680 25868 5118 1 10 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.609 -1.079 25868 5119 1 10 . 1 1 74 74 ALA H H 74 8.010 8.010 7.939 0.071 25868 5120 1 10 . 1 1 75 75 ILE N N 75 113.486 113.486 117.760 -4.274 25868 5121 1 10 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.674 -0.259 25868 5122 1 10 . 1 1 75 75 ILE C C 75 177.333 177.333 177.752 -0.419 25868 5123 1 10 . 1 1 75 75 ILE CA C 75 65.814 65.814 65.076 0.738 25868 5124 1 10 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.843 0.354 25868 5125 1 10 . 1 1 75 75 ILE H H 75 7.405 7.405 7.640 -0.235 25868 5126 1 10 . 1 1 76 76 THR N N 76 105.977 105.977 111.799 -5.822 25868 5127 1 10 . 1 1 76 76 THR HA H 76 3.963 3.963 4.134 -0.171 25868 5128 1 10 . 1 1 76 76 THR C C 76 174.609 174.609 175.676 -1.067 25868 5129 1 10 . 1 1 76 76 THR CA C 76 63.773 63.773 64.814 -1.041 25868 5130 1 10 . 1 1 76 76 THR CB C 76 68.757 68.757 68.295 0.462 25868 5131 1 10 . 1 1 76 76 THR H H 76 7.217 7.217 7.792 -0.575 25868 5132 1 10 . 1 1 77 77 ALA N N 77 122.534 122.534 124.280 -1.746 25868 5133 1 10 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.523 -0.106 25868 5134 1 10 . 1 1 77 77 ALA C C 77 177.085 177.085 177.331 -0.246 25868 5135 1 10 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.604 0.024 25868 5136 1 10 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.386 0.396 25868 5137 1 10 . 1 1 77 77 ALA H H 77 7.486 7.486 7.202 0.284 25868 5138 1 10 . 1 1 78 78 ILE N N 78 123.223 123.223 122.840 0.383 25868 5139 1 10 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.069 0.143 25868 5140 1 10 . 1 1 78 78 ILE C C 78 174.939 174.939 174.564 0.375 25868 5141 1 10 . 1 1 78 78 ILE CA C 78 59.798 59.798 60.619 -0.821 25868 5142 1 10 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.729 1.887 25868 5143 1 10 . 1 1 78 78 ILE H H 78 7.428 7.428 7.182 0.246 25868 5144 1 10 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.520 -0.082 25868 5145 1 10 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.205 1.880 25868 5146 1 10 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.363 -0.054 25868 5147 1 10 . 1 1 83 83 GLY N N 83 105.726 105.726 107.588 -1.862 25868 5148 1 10 . 1 1 83 83 GLY C C 83 175.765 175.765 174.422 1.343 25868 5149 1 10 . 1 1 83 83 GLY CA C 83 46.491 46.491 44.979 1.512 25868 5150 1 10 . 1 1 83 83 GLY H H 83 7.613 7.613 7.982 -0.369 25868 5151 1 10 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.748 0.136 25868 5152 1 10 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.466 1.855 25868 5153 1 10 . 1 1 84 84 ARG CB C 84 30.827 30.827 28.246 2.581 25868 5154 1 10 . 1 1 86 86 GLU HA H 86 3.984 3.984 3.971 0.013 25868 5155 1 10 . 1 1 86 86 GLU C C 86 179.163 179.163 178.318 0.845 25868 5156 1 10 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.953 0.243 25868 5157 1 10 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.977 -0.049 25868 5158 1 10 . 1 1 86 86 GLU H H 86 7.965 7.965 7.886 0.079 25868 5159 1 10 . 1 1 87 87 ALA N N 87 122.092 122.092 121.192 0.900 25868 5160 1 10 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.122 0.077 25868 5161 1 10 . 1 1 87 87 ALA C C 87 178.980 178.980 179.072 -0.092 25868 5162 1 10 . 1 1 87 87 ALA CA C 87 54.669 54.669 53.671 0.998 25868 5163 1 10 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.661 -0.248 25868 5164 1 10 . 1 1 87 87 ALA H H 87 8.108 8.108 7.528 0.580 25868 5165 1 10 . 1 1 88 88 LYS N N 88 118.808 118.808 119.531 -0.723 25868 5166 1 10 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.981 -0.088 25868 5167 1 10 . 1 1 88 88 LYS C C 88 179.341 179.341 179.046 0.295 25868 5168 1 10 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.951 1.052 25868 5169 1 10 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.127 0.099 25868 5170 1 10 . 1 1 88 88 LYS H H 88 8.501 8.501 7.507 0.994 25868 5171 1 10 . 1 1 89 89 GLU N N 89 119.454 119.454 118.476 0.978 25868 5172 1 10 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.981 0.014 25868 5173 1 10 . 1 1 89 89 GLU C C 89 179.017 179.017 178.767 0.250 25868 5174 1 10 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.789 0.154 25868 5175 1 10 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.762 0.071 25868 5176 1 10 . 1 1 89 89 GLU H H 89 7.544 7.544 7.935 -0.391 25868 5177 1 10 . 1 1 90 90 MET N N 90 119.262 119.262 117.058 2.204 25868 5178 1 10 . 1 1 90 90 MET HA H 90 3.284 3.284 3.653 -0.369 25868 5179 1 10 . 1 1 90 90 MET C C 90 177.003 177.003 177.633 -0.630 25868 5180 1 10 . 1 1 90 90 MET CA C 90 59.168 59.168 57.989 1.179 25868 5181 1 10 . 1 1 90 90 MET CB C 90 33.468 33.468 31.463 2.005 25868 5182 1 10 . 1 1 90 90 MET H H 90 7.600 7.600 7.091 0.509 25868 5183 1 10 . 1 1 91 91 ALA N N 91 120.041 120.041 121.687 -1.646 25868 5184 1 10 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.906 -0.038 25868 5185 1 10 . 1 1 91 91 ALA C C 91 179.039 179.039 178.865 0.174 25868 5186 1 10 . 1 1 91 91 ALA CA C 91 55.030 55.030 54.933 0.097 25868 5187 1 10 . 1 1 91 91 ALA CB C 91 18.084 18.084 17.914 0.170 25868 5188 1 10 . 1 1 91 91 ALA H H 91 8.212 8.212 7.623 0.589 25868 5189 1 10 . 1 1 92 92 LYS N N 92 118.442 118.442 118.159 0.283 25868 5190 1 10 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.830 0.092 25868 5191 1 10 . 1 1 92 92 LYS C C 92 178.874 178.874 178.109 0.765 25868 5192 1 10 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.788 -0.667 25868 5193 1 10 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.169 0.075 25868 5194 1 10 . 1 1 92 92 LYS H H 92 7.819 7.819 7.558 0.261 25868 5195 1 10 . 1 1 93 93 LYS N N 93 119.228 119.228 118.079 1.149 25868 5196 1 10 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.605 -0.028 25868 5197 1 10 . 1 1 93 93 LYS C C 93 176.618 176.618 178.121 -1.503 25868 5198 1 10 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.479 -0.353 25868 5199 1 10 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.550 -0.405 25868 5200 1 10 . 1 1 93 93 LYS H H 93 7.449 7.449 7.131 0.318 25868 5201 1 10 . 1 1 94 94 ALA N N 94 117.825 117.825 120.577 -2.752 25868 5202 1 10 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.943 -0.162 25868 5203 1 10 . 1 1 94 94 ALA C C 94 178.736 178.736 179.628 -0.892 25868 5204 1 10 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.293 -0.415 25868 5205 1 10 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.232 -0.989 25868 5206 1 10 . 1 1 94 94 ALA H H 94 7.698 7.698 7.672 0.026 25868 5207 1 10 . 1 1 95 95 GLU N N 95 115.361 115.361 118.504 -3.143 25868 5208 1 10 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.124 -0.215 25868 5209 1 10 . 1 1 95 95 GLU C C 95 178.984 178.984 179.073 -0.089 25868 5210 1 10 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.002 0.378 25868 5211 1 10 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.461 0.015 25868 5212 1 10 . 1 1 95 95 GLU H H 95 7.907 7.907 7.709 0.198 25868 5213 1 10 . 1 1 96 96 GLU N N 96 121.608 121.608 119.830 1.778 25868 5214 1 10 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.094 -0.145 25868 5215 1 10 . 1 1 96 96 GLU C C 96 180.249 180.249 179.438 0.811 25868 5216 1 10 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.990 0.207 25868 5217 1 10 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.161 -0.281 25868 5218 1 10 . 1 1 96 96 GLU H H 96 7.815 7.815 8.118 -0.303 25868 5219 1 10 . 1 1 97 97 TRP N N 97 122.511 122.511 119.868 2.643 25868 5220 1 10 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.514 -0.116 25868 5221 1 10 . 1 1 97 97 TRP C C 97 178.007 178.007 178.598 -0.591 25868 5222 1 10 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.986 -1.250 25868 5223 1 10 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.317 -0.339 25868 5224 1 10 . 1 1 97 97 TRP H H 97 8.069 8.069 8.451 -0.382 25868 5225 1 10 . 1 1 98 98 LEU N N 98 119.235 119.235 121.500 -2.265 25868 5226 1 10 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.058 0.025 25868 5227 1 10 . 1 1 98 98 LEU C C 98 178.599 178.599 178.994 -0.395 25868 5228 1 10 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.475 -0.821 25868 5229 1 10 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.713 0.252 25868 5230 1 10 . 1 1 98 98 LEU H H 98 8.077 8.077 7.650 0.427 25868 5231 1 10 . 1 1 99 99 GLN N N 99 117.609 117.609 117.178 0.431 25868 5232 1 10 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.012 0.104 25868 5233 1 10 . 1 1 99 99 GLN C C 99 177.636 177.636 178.013 -0.377 25868 5234 1 10 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.258 -0.538 25868 5235 1 10 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.263 -0.017 25868 5236 1 10 . 1 1 99 99 GLN H H 99 8.077 8.077 8.092 -0.015 25868 5237 1 10 . 1 1 100 100 ALA N N 100 122.106 122.106 121.060 1.046 25868 5238 1 10 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.240 0.065 25868 5239 1 10 . 1 1 100 100 ALA C C 100 179.424 179.424 179.253 0.171 25868 5240 1 10 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.344 -0.291 25868 5241 1 10 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.806 -0.253 25868 5242 1 10 . 1 1 100 100 ALA H H 100 7.944 7.944 7.784 0.160 25868 5243 1 10 . 1 1 101 101 GLU N N 101 117.817 117.817 116.349 1.468 25868 5244 1 10 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.308 0.048 25868 5245 1 10 . 1 1 101 101 GLU C C 101 177.415 177.415 178.813 -1.398 25868 5246 1 10 . 1 1 101 101 GLU CA C 101 57.013 57.013 58.093 -1.079 25868 5247 1 10 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.135 0.264 25868 5248 1 10 . 1 1 101 101 GLU H H 101 8.162 8.162 8.126 0.036 25868 5249 1 10 . 1 1 102 102 GLN N N 102 118.194 118.194 118.992 -0.798 25868 5250 1 10 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.450 -0.116 25868 5251 1 10 . 1 1 102 102 GLN C C 102 175.755 175.755 174.901 0.854 25868 5252 1 10 . 1 1 102 102 GLN CA C 102 56.327 56.327 54.340 1.987 25868 5253 1 10 . 1 1 102 102 GLN CB C 102 29.294 29.294 26.518 2.776 25868 5254 1 10 . 1 1 102 102 GLN H H 102 8.094 8.094 7.812 0.282 25868 5255 1 10 . 1 1 103 103 ASN N N 103 119.032 119.032 121.007 -1.975 25868 5256 1 10 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.757 0.033 25868 5257 1 10 . 1 1 103 103 ASN C C 103 173.949 173.949 174.642 -0.693 25868 5258 1 10 . 1 1 103 103 ASN CA C 103 53.029 53.029 52.758 0.271 25868 5259 1 10 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.584 -0.534 25868 5260 1 10 . 1 1 103 103 ASN H H 103 8.149 8.149 7.742 0.407 25868 5261 1 11 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.639 -0.065 25868 5262 1 11 . 1 1 2 2 ASP C C 2 176.630 176.630 175.392 1.238 25868 5263 1 11 . 1 1 2 2 ASP CA C 2 55.042 55.042 53.815 1.227 25868 5264 1 11 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.737 -0.836 25868 5265 1 11 . 1 1 3 3 GLU N N 3 121.683 121.683 122.033 -0.350 25868 5266 1 11 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.259 -0.079 25868 5267 1 11 . 1 1 3 3 GLU CA C 3 57.896 57.896 57.188 0.709 25868 5268 1 11 . 1 1 3 3 GLU CB C 3 29.407 29.407 30.656 -1.249 25868 5269 1 11 . 1 1 3 3 GLU H H 3 8.889 8.889 8.577 0.312 25868 5270 1 11 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.357 0.088 25868 5271 1 11 . 1 1 4 4 ASN C C 4 176.095 176.095 177.387 -1.292 25868 5272 1 11 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.252 -0.607 25868 5273 1 11 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.863 -0.057 25868 5274 1 11 . 1 1 5 5 ILE N N 5 119.355 119.355 120.414 -1.059 25868 5275 1 11 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.749 0.128 25868 5276 1 11 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.864 -0.783 25868 5277 1 11 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.461 0.230 25868 5278 1 11 . 1 1 5 5 ILE H H 5 8.018 8.018 8.131 -0.113 25868 5279 1 11 . 1 1 6 6 ALA N N 6 123.430 123.430 121.458 1.972 25868 5280 1 11 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.973 0.276 25868 5281 1 11 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.854 -0.683 25868 5282 1 11 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.186 0.058 25868 5283 1 11 . 1 1 6 6 ALA H H 6 8.041 8.041 7.684 0.357 25868 5284 1 11 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.934 0.096 25868 5285 1 11 . 1 1 7 7 LYS C C 7 178.778 178.778 178.932 -0.154 25868 5286 1 11 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.082 -0.328 25868 5287 1 11 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.162 -0.149 25868 5288 1 11 . 1 1 8 8 PHE N N 8 120.439 120.439 117.468 2.971 25868 5289 1 11 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.266 0.408 25868 5290 1 11 . 1 1 8 8 PHE C C 8 177.470 177.470 178.507 -1.037 25868 5291 1 11 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.465 -1.310 25868 5292 1 11 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.556 0.720 25868 5293 1 11 . 1 1 8 8 PHE H H 8 7.908 7.908 7.645 0.263 25868 5294 1 11 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.195 -0.066 25868 5295 1 11 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.557 0.555 25868 5296 1 11 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.419 0.375 25868 5297 1 11 . 1 1 11 11 ALA N N 11 122.712 122.712 121.582 1.130 25868 5298 1 11 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.337 -0.131 25868 5299 1 11 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.346 0.824 25868 5300 1 11 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.940 -1.679 25868 5301 1 11 . 1 1 11 11 ALA H H 11 7.945 7.945 7.891 0.054 25868 5302 1 11 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.759 -0.638 25868 5303 1 11 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.340 1.827 25868 5304 1 11 . 1 1 12 12 TYR CB C 12 38.000 38.000 41.281 -3.281 25868 5305 1 11 . 1 1 13 13 LYS N N 13 120.452 120.452 122.210 -1.758 25868 5306 1 11 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.431 -0.391 25868 5307 1 11 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.261 3.553 25868 5308 1 11 . 1 1 13 13 LYS CB C 13 32.327 32.327 34.744 -2.417 25868 5309 1 11 . 1 1 13 13 LYS H H 13 8.017 8.017 7.744 0.273 25868 5310 1 11 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.175 -0.021 25868 5311 1 11 . 1 1 14 14 LYS CA C 14 57.675 57.675 55.221 2.454 25868 5312 1 11 . 1 1 14 14 LYS CB C 14 32.196 32.196 33.191 -0.995 25868 5313 1 11 . 1 1 14 14 LYS H H 14 8.011 8.011 8.156 -0.145 25868 5314 1 11 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.399 -0.128 25868 5315 1 11 . 1 1 15 15 ALA C C 15 179.056 179.056 177.753 1.303 25868 5316 1 11 . 1 1 15 15 ALA CA C 15 53.971 53.971 53.517 0.454 25868 5317 1 11 . 1 1 15 15 ALA CB C 15 18.684 18.684 18.649 0.035 25868 5318 1 11 . 1 1 16 16 GLU N N 16 120.136 120.136 116.373 3.763 25868 5319 1 11 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.049 0.166 25868 5320 1 11 . 1 1 16 16 GLU C C 16 179.176 179.176 177.716 1.460 25868 5321 1 11 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.965 0.534 25868 5322 1 11 . 1 1 16 16 GLU CB C 16 29.915 29.915 28.974 0.941 25868 5323 1 11 . 1 1 16 16 GLU H H 16 8.599 8.599 8.479 0.120 25868 5324 1 11 . 1 1 17 17 GLU N N 17 120.683 120.683 120.037 0.646 25868 5325 1 11 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.047 0.027 25868 5326 1 11 . 1 1 17 17 GLU CA C 17 58.104 58.104 58.242 -0.138 25868 5327 1 11 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.885 -0.167 25868 5328 1 11 . 1 1 17 17 GLU H H 17 8.009 8.009 7.622 0.387 25868 5329 1 11 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.507 -0.177 25868 5330 1 11 . 1 1 18 18 LEU CA C 18 54.498 54.498 53.716 0.782 25868 5331 1 11 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.408 -1.439 25868 5332 1 11 . 1 1 18 18 LEU H H 18 7.614 7.614 7.899 -0.285 25868 5333 1 11 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.629 -0.220 25868 5334 1 11 . 1 1 19 19 ASN C C 19 174.609 174.609 174.812 -0.203 25868 5335 1 11 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.448 0.228 25868 5336 1 11 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.162 -0.337 25868 5337 1 11 . 1 1 20 20 GLN N N 20 118.736 118.736 121.302 -2.566 25868 5338 1 11 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.542 -0.082 25868 5339 1 11 . 1 1 20 20 GLN C C 20 176.659 176.659 175.443 1.216 25868 5340 1 11 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.493 -0.805 25868 5341 1 11 . 1 1 20 20 GLN CB C 20 28.164 28.164 28.725 -0.561 25868 5342 1 11 . 1 1 20 20 GLN H H 20 8.340 8.340 7.927 0.413 25868 5343 1 11 . 1 1 21 21 GLY N N 21 111.864 111.864 110.663 1.201 25868 5344 1 11 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.928 0.125 25868 5345 1 11 . 1 1 21 21 GLY H H 21 8.455 8.455 8.712 -0.257 25868 5346 1 11 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.321 -0.058 25868 5347 1 11 . 1 1 23 23 LEU C C 23 179.620 179.620 176.694 2.926 25868 5348 1 11 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.186 1.208 25868 5349 1 11 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.614 -1.063 25868 5350 1 11 . 1 1 24 24 MET N N 24 120.657 120.657 113.370 7.287 25868 5351 1 11 . 1 1 24 24 MET HA H 24 4.077 4.077 4.602 -0.525 25868 5352 1 11 . 1 1 24 24 MET CB C 24 34.035 34.035 34.523 -0.487 25868 5353 1 11 . 1 1 24 24 MET H H 24 8.219 8.219 7.475 0.744 25868 5354 1 11 . 1 1 25 25 GLY N N 25 106.956 106.956 107.512 -0.556 25868 5355 1 11 . 1 1 25 25 GLY C C 25 175.016 175.016 175.316 -0.300 25868 5356 1 11 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.343 1.428 25868 5357 1 11 . 1 1 25 25 GLY H H 25 8.589 8.589 8.633 -0.044 25868 5358 1 11 . 1 1 26 26 ARG N N 26 119.970 119.970 122.090 -2.120 25868 5359 1 11 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.308 -0.092 25868 5360 1 11 . 1 1 26 26 ARG C C 26 177.966 177.966 177.908 0.058 25868 5361 1 11 . 1 1 26 26 ARG CA C 26 59.727 59.727 58.845 0.882 25868 5362 1 11 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.259 0.004 25868 5363 1 11 . 1 1 26 26 ARG H H 26 8.297 8.297 7.822 0.475 25868 5364 1 11 . 1 1 27 27 ALA N N 27 121.499 121.499 121.237 0.262 25868 5365 1 11 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.009 0.255 25868 5366 1 11 . 1 1 27 27 ALA C C 27 179.878 179.878 179.220 0.658 25868 5367 1 11 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.466 1.234 25868 5368 1 11 . 1 1 27 27 ALA CB C 27 18.323 18.323 17.553 0.770 25868 5369 1 11 . 1 1 27 27 ALA H H 27 7.816 7.816 7.989 -0.173 25868 5370 1 11 . 1 1 28 28 LEU N N 28 117.285 117.285 119.428 -2.143 25868 5371 1 11 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.928 0.099 25868 5372 1 11 . 1 1 28 28 LEU C C 28 178.158 178.158 178.487 -0.329 25868 5373 1 11 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.614 0.481 25868 5374 1 11 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.927 0.327 25868 5375 1 11 . 1 1 28 28 LEU H H 28 8.066 8.066 7.545 0.521 25868 5376 1 11 . 1 1 29 29 TYR N N 29 119.594 119.594 119.454 0.140 25868 5377 1 11 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.228 -0.234 25868 5378 1 11 . 1 1 29 29 TYR C C 29 176.382 176.382 177.788 -1.406 25868 5379 1 11 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.910 0.757 25868 5380 1 11 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.445 0.465 25868 5381 1 11 . 1 1 29 29 TYR H H 29 8.568 8.568 7.815 0.753 25868 5382 1 11 . 1 1 30 30 ASN N N 30 116.978 116.978 117.306 -0.328 25868 5383 1 11 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.315 -0.054 25868 5384 1 11 . 1 1 30 30 ASN C C 30 178.521 178.521 177.077 1.444 25868 5385 1 11 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.418 -0.494 25868 5386 1 11 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.110 -1.647 25868 5387 1 11 . 1 1 30 30 ASN H H 30 8.290 8.290 7.624 0.666 25868 5388 1 11 . 1 1 31 31 ILE N N 31 122.107 122.107 119.403 2.704 25868 5389 1 11 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.668 -0.311 25868 5390 1 11 . 1 1 31 31 ILE C C 31 178.007 178.007 177.379 0.628 25868 5391 1 11 . 1 1 31 31 ILE CA C 31 66.197 66.197 63.817 2.380 25868 5392 1 11 . 1 1 31 31 ILE CB C 31 37.686 37.686 36.845 0.841 25868 5393 1 11 . 1 1 31 31 ILE H H 31 8.006 8.006 6.971 1.035 25868 5394 1 11 . 1 1 32 32 GLY N N 32 107.810 107.810 108.446 -0.636 25868 5395 1 11 . 1 1 32 32 GLY C C 32 175.187 175.187 175.642 -0.455 25868 5396 1 11 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.869 1.651 25868 5397 1 11 . 1 1 32 32 GLY H H 32 7.880 7.880 7.828 0.052 25868 5398 1 11 . 1 1 33 33 LEU N N 33 120.587 120.587 121.383 -0.796 25868 5399 1 11 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.988 0.068 25868 5400 1 11 . 1 1 33 33 LEU C C 33 180.635 180.635 179.881 0.754 25868 5401 1 11 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.685 0.466 25868 5402 1 11 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.642 0.035 25868 5403 1 11 . 1 1 33 33 LEU H H 33 8.117 8.117 7.675 0.442 25868 5404 1 11 . 1 1 34 34 GLU N N 34 120.332 120.332 119.459 0.873 25868 5405 1 11 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.149 -0.176 25868 5406 1 11 . 1 1 34 34 GLU C C 34 179.479 179.479 179.055 0.424 25868 5407 1 11 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.138 -0.276 25868 5408 1 11 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.132 0.019 25868 5409 1 11 . 1 1 34 34 GLU H H 34 7.763 7.763 7.772 -0.009 25868 5410 1 11 . 1 1 35 35 LYS N N 35 118.642 118.642 118.867 -0.225 25868 5411 1 11 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.106 -0.193 25868 5412 1 11 . 1 1 35 35 LYS C C 35 179.149 179.149 178.783 0.366 25868 5413 1 11 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.855 -1.013 25868 5414 1 11 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.396 -1.682 25868 5415 1 11 . 1 1 35 35 LYS H H 35 8.573 8.573 7.912 0.661 25868 5416 1 11 . 1 1 36 36 ASN N N 36 119.047 119.047 117.606 1.441 25868 5417 1 11 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.481 -0.173 25868 5418 1 11 . 1 1 36 36 ASN C C 36 179.782 179.782 177.727 2.055 25868 5419 1 11 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.663 -0.004 25868 5420 1 11 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.272 -0.080 25868 5421 1 11 . 1 1 36 36 ASN H H 36 8.348 8.348 8.225 0.123 25868 5422 1 11 . 1 1 37 37 LYS N N 37 121.477 121.477 119.696 1.781 25868 5423 1 11 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.092 -0.008 25868 5424 1 11 . 1 1 37 37 LYS C C 37 177.938 177.938 177.703 0.235 25868 5425 1 11 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.820 0.470 25868 5426 1 11 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.234 -0.025 25868 5427 1 11 . 1 1 37 37 LYS H H 37 7.956 7.956 7.707 0.249 25868 5428 1 11 . 1 1 38 38 MET N N 38 114.976 114.976 117.195 -2.219 25868 5429 1 11 . 1 1 38 38 MET HA H 38 4.519 4.519 4.456 0.063 25868 5430 1 11 . 1 1 38 38 MET C C 38 175.847 175.847 176.761 -0.914 25868 5431 1 11 . 1 1 38 38 MET CA C 38 55.264 55.264 55.605 -0.341 25868 5432 1 11 . 1 1 38 38 MET CB C 38 33.388 33.388 32.772 0.616 25868 5433 1 11 . 1 1 38 38 MET H H 38 7.394 7.394 7.571 -0.177 25868 5434 1 11 . 1 1 39 39 GLY N N 39 107.575 107.575 107.757 -0.182 25868 5435 1 11 . 1 1 39 39 GLY C C 39 174.994 174.994 174.602 0.392 25868 5436 1 11 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.357 0.394 25868 5437 1 11 . 1 1 39 39 GLY H H 39 7.906 7.906 7.792 0.114 25868 5438 1 11 . 1 1 40 40 LYS N N 40 122.563 122.563 121.959 0.604 25868 5439 1 11 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.448 0.288 25868 5440 1 11 . 1 1 40 40 LYS C C 40 175.847 175.847 175.479 0.368 25868 5441 1 11 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.073 -1.693 25868 5442 1 11 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.902 -0.480 25868 5443 1 11 . 1 1 40 40 LYS H H 40 7.958 7.958 7.793 0.165 25868 5444 1 11 . 1 1 41 41 ALA N N 41 123.662 123.662 125.316 -1.654 25868 5445 1 11 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.189 -0.054 25868 5446 1 11 . 1 1 41 41 ALA C C 41 178.736 178.736 178.829 -0.093 25868 5447 1 11 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.845 0.884 25868 5448 1 11 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.983 0.984 25868 5449 1 11 . 1 1 41 41 ALA H H 41 7.487 7.487 8.097 -0.610 25868 5450 1 11 . 1 1 42 42 ARG N N 42 118.612 118.612 118.463 0.149 25868 5451 1 11 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.014 -0.014 25868 5452 1 11 . 1 1 42 42 ARG C C 42 178.901 178.901 177.827 1.074 25868 5453 1 11 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.197 -0.400 25868 5454 1 11 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.615 -0.741 25868 5455 1 11 . 1 1 42 42 ARG H H 42 8.864 8.864 8.564 0.300 25868 5456 1 11 . 1 1 43 43 GLU N N 43 120.194 120.194 118.876 1.318 25868 5457 1 11 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.034 0.089 25868 5458 1 11 . 1 1 43 43 GLU C C 43 178.901 178.901 178.372 0.529 25868 5459 1 11 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.473 -0.035 25868 5460 1 11 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.660 1.274 25868 5461 1 11 . 1 1 43 43 GLU H H 43 8.062 8.062 8.393 -0.331 25868 5462 1 11 . 1 1 44 44 ALA N N 44 121.369 121.369 122.001 -0.632 25868 5463 1 11 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.907 -0.334 25868 5464 1 11 . 1 1 44 44 ALA C C 44 177.911 177.911 178.768 -0.857 25868 5465 1 11 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.959 0.803 25868 5466 1 11 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.245 0.303 25868 5467 1 11 . 1 1 44 44 ALA H H 44 8.627 8.627 7.911 0.716 25868 5468 1 11 . 1 1 45 45 ALA N N 45 117.108 117.108 120.610 -3.502 25868 5469 1 11 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.150 -0.065 25868 5470 1 11 . 1 1 45 45 ALA C C 45 178.078 178.078 179.699 -1.621 25868 5471 1 11 . 1 1 45 45 ALA CA C 45 55.576 55.576 54.765 0.811 25868 5472 1 11 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.219 -0.779 25868 5473 1 11 . 1 1 45 45 ALA H H 45 8.310 8.310 7.759 0.551 25868 5474 1 11 . 1 1 46 46 GLU N N 46 115.941 115.941 118.866 -2.925 25868 5475 1 11 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.067 -0.148 25868 5476 1 11 . 1 1 46 46 GLU C C 46 179.341 179.341 178.911 0.430 25868 5477 1 11 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.487 0.270 25868 5478 1 11 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.050 0.087 25868 5479 1 11 . 1 1 46 46 GLU H H 46 7.451 7.451 8.086 -0.635 25868 5480 1 11 . 1 1 47 47 TYR N N 47 117.925 117.925 118.710 -0.785 25868 5481 1 11 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.301 -0.456 25868 5482 1 11 . 1 1 47 47 TYR C C 47 178.544 178.544 178.610 -0.066 25868 5483 1 11 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.977 3.687 25868 5484 1 11 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.959 -0.645 25868 5485 1 11 . 1 1 47 47 TYR H H 47 7.746 7.746 7.168 0.578 25868 5486 1 11 . 1 1 48 48 PHE N N 48 118.758 118.758 118.617 0.141 25868 5487 1 11 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.354 0.394 25868 5488 1 11 . 1 1 48 48 PHE C C 48 178.227 178.227 177.995 0.232 25868 5489 1 11 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.818 -0.265 25868 5490 1 11 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.200 -0.051 25868 5491 1 11 . 1 1 48 48 PHE H H 48 9.054 9.054 8.069 0.985 25868 5492 1 11 . 1 1 49 49 PHE N N 49 120.234 120.234 121.983 -1.749 25868 5493 1 11 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.348 0.150 25868 5494 1 11 . 1 1 49 49 PHE C C 49 176.645 176.645 177.099 -0.454 25868 5495 1 11 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.089 0.133 25868 5496 1 11 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.340 0.950 25868 5497 1 11 . 1 1 49 49 PHE H H 49 8.981 8.981 8.384 0.597 25868 5498 1 11 . 1 1 50 50 ARG N N 50 117.925 117.925 118.491 -0.566 25868 5499 1 11 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.786 -0.006 25868 5500 1 11 . 1 1 50 50 ARG C C 50 179.369 179.369 178.630 0.739 25868 5501 1 11 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.074 0.755 25868 5502 1 11 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.994 0.529 25868 5503 1 11 . 1 1 50 50 ARG H H 50 8.450 8.450 8.584 -0.134 25868 5504 1 11 . 1 1 51 51 ALA N N 51 120.897 120.897 121.831 -0.934 25868 5505 1 11 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.874 -0.158 25868 5506 1 11 . 1 1 51 51 ALA C C 51 177.085 177.085 178.321 -1.236 25868 5507 1 11 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.654 0.444 25868 5508 1 11 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.322 -1.056 25868 5509 1 11 . 1 1 51 51 ALA H H 51 8.697 8.697 8.000 0.697 25868 5510 1 11 . 1 1 52 52 ALA N N 52 120.007 120.007 121.126 -1.119 25868 5511 1 11 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.250 -0.181 25868 5512 1 11 . 1 1 52 52 ALA C C 52 178.067 178.067 179.727 -1.660 25868 5513 1 11 . 1 1 52 52 ALA CA C 52 56.108 56.108 54.993 1.115 25868 5514 1 11 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.578 -1.325 25868 5515 1 11 . 1 1 52 52 ALA H H 52 8.483 8.483 7.655 0.828 25868 5516 1 11 . 1 1 53 53 ILE N N 53 116.864 116.864 119.458 -2.594 25868 5517 1 11 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.408 -0.225 25868 5518 1 11 . 1 1 53 53 ILE C C 53 178.323 178.323 177.584 0.739 25868 5519 1 11 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.266 0.499 25868 5520 1 11 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.596 0.880 25868 5521 1 11 . 1 1 53 53 ILE H H 53 8.033 8.033 8.041 -0.008 25868 5522 1 11 . 1 1 54 54 VAL N N 54 119.604 119.604 119.576 0.028 25868 5523 1 11 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.532 -0.041 25868 5524 1 11 . 1 1 54 54 VAL C C 54 178.200 178.200 178.556 -0.356 25868 5525 1 11 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.123 0.253 25868 5526 1 11 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.783 0.625 25868 5527 1 11 . 1 1 54 54 VAL H H 54 7.126 7.126 7.181 -0.055 25868 5528 1 11 . 1 1 55 55 PHE N N 55 118.386 118.386 118.055 0.331 25868 5529 1 11 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.340 0.196 25868 5530 1 11 . 1 1 55 55 PHE C C 55 178.571 178.571 178.255 0.316 25868 5531 1 11 . 1 1 55 55 PHE CA C 55 59.487 59.487 59.438 0.049 25868 5532 1 11 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.308 0.849 25868 5533 1 11 . 1 1 55 55 PHE H H 55 9.061 9.061 7.956 1.105 25868 5534 1 11 . 1 1 56 56 TYR N N 56 119.488 119.488 121.526 -2.038 25868 5535 1 11 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.988 0.363 25868 5536 1 11 . 1 1 56 56 TYR C C 56 178.871 178.871 177.287 1.584 25868 5537 1 11 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.918 -1.424 25868 5538 1 11 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.050 -0.246 25868 5539 1 11 . 1 1 56 56 TYR H H 56 8.975 8.975 8.235 0.740 25868 5540 1 11 . 1 1 57 57 LYS N N 57 121.083 121.083 116.971 4.112 25868 5541 1 11 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.489 -0.026 25868 5542 1 11 . 1 1 57 57 LYS C C 57 178.103 178.103 177.938 0.165 25868 5543 1 11 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.395 0.450 25868 5544 1 11 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.872 -0.147 25868 5545 1 11 . 1 1 57 57 LYS H H 57 7.753 7.753 7.867 -0.114 25868 5546 1 11 . 1 1 58 58 GLU N N 58 114.098 114.098 115.383 -1.285 25868 5547 1 11 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.226 -0.069 25868 5548 1 11 . 1 1 58 58 GLU C C 58 175.655 175.655 176.826 -1.171 25868 5549 1 11 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.811 -0.677 25868 5550 1 11 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.302 -0.662 25868 5551 1 11 . 1 1 58 58 GLU H H 58 7.849 7.849 7.427 0.422 25868 5552 1 11 . 1 1 59 59 HIS N N 59 115.781 115.781 114.216 1.565 25868 5553 1 11 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.454 -0.244 25868 5554 1 11 . 1 1 59 59 HIS C C 59 173.784 173.784 173.816 -0.032 25868 5555 1 11 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.154 -0.744 25868 5556 1 11 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.594 -0.756 25868 5557 1 11 . 1 1 59 59 HIS H H 59 7.659 7.659 7.515 0.144 25868 5558 1 11 . 1 1 60 60 ASP N N 60 118.780 118.780 122.056 -3.276 25868 5559 1 11 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.759 0.100 25868 5560 1 11 . 1 1 60 60 ASP C C 60 175.847 175.847 177.397 -1.550 25868 5561 1 11 . 1 1 60 60 ASP CA C 60 51.803 51.803 54.720 -2.917 25868 5562 1 11 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.675 -0.544 25868 5563 1 11 . 1 1 60 60 ASP H H 60 8.660 8.660 8.436 0.224 25868 5564 1 11 . 1 1 61 61 THR N N 61 118.884 118.884 118.037 0.847 25868 5565 1 11 . 1 1 61 61 THR HA H 61 3.763 3.763 4.028 -0.265 25868 5566 1 11 . 1 1 61 61 THR C C 61 175.886 175.886 176.040 -0.154 25868 5567 1 11 . 1 1 61 61 THR CA C 61 66.159 66.159 66.933 -0.774 25868 5568 1 11 . 1 1 61 61 THR CB C 61 68.168 68.168 68.837 -0.669 25868 5569 1 11 . 1 1 61 61 THR H H 61 7.955 7.955 8.250 -0.295 25868 5570 1 11 . 1 1 62 62 ASP N N 62 121.668 121.668 121.916 -0.248 25868 5571 1 11 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.443 -0.181 25868 5572 1 11 . 1 1 62 62 ASP C C 62 178.461 178.461 178.013 0.448 25868 5573 1 11 . 1 1 62 62 ASP CA C 62 57.449 57.449 56.967 0.482 25868 5574 1 11 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.192 0.743 25868 5575 1 11 . 1 1 62 62 ASP H H 62 8.298 8.298 8.589 -0.291 25868 5576 1 11 . 1 1 63 63 GLY N N 63 109.003 109.003 108.277 0.726 25868 5577 1 11 . 1 1 63 63 GLY C C 63 175.517 175.517 175.782 -0.265 25868 5578 1 11 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.354 -0.295 25868 5579 1 11 . 1 1 63 63 GLY H H 63 8.018 8.018 8.045 -0.027 25868 5580 1 11 . 1 1 64 64 LEU N N 64 122.504 122.504 123.149 -0.645 25868 5581 1 11 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.340 -0.258 25868 5582 1 11 . 1 1 64 64 LEU C C 64 177.333 177.333 178.534 -1.201 25868 5583 1 11 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.438 1.055 25868 5584 1 11 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.966 0.141 25868 5585 1 11 . 1 1 64 64 LEU H H 64 8.073 8.073 8.005 0.068 25868 5586 1 11 . 1 1 65 65 ARG N N 65 118.626 118.626 119.098 -0.472 25868 5587 1 11 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.924 -0.032 25868 5588 1 11 . 1 1 65 65 ARG C C 65 179.045 179.045 178.429 0.616 25868 5589 1 11 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.807 0.048 25868 5590 1 11 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.019 -0.084 25868 5591 1 11 . 1 1 65 65 ARG H H 65 8.491 8.491 8.327 0.164 25868 5592 1 11 . 1 1 66 66 ARG N N 66 119.009 119.009 119.302 -0.293 25868 5593 1 11 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.098 -0.131 25868 5594 1 11 . 1 1 66 66 ARG C C 66 178.943 178.943 178.619 0.324 25868 5595 1 11 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.300 0.913 25868 5596 1 11 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.645 -0.094 25868 5597 1 11 . 1 1 66 66 ARG H H 66 7.601 7.601 7.881 -0.280 25868 5598 1 11 . 1 1 67 67 ALA N N 67 122.174 122.174 120.678 1.496 25868 5599 1 11 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.552 -0.375 25868 5600 1 11 . 1 1 67 67 ALA C C 67 178.654 178.654 179.842 -1.188 25868 5601 1 11 . 1 1 67 67 ALA CA C 67 56.094 56.094 55.047 1.047 25868 5602 1 11 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.624 -0.745 25868 5603 1 11 . 1 1 67 67 ALA H H 67 8.681 8.681 8.217 0.464 25868 5604 1 11 . 1 1 68 68 ALA N N 68 119.208 119.208 121.259 -2.051 25868 5605 1 11 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.073 -0.122 25868 5606 1 11 . 1 1 68 68 ALA C C 68 179.562 179.562 179.116 0.446 25868 5607 1 11 . 1 1 68 68 ALA CA C 68 55.565 55.565 54.942 0.623 25868 5608 1 11 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.427 -0.586 25868 5609 1 11 . 1 1 68 68 ALA H H 68 9.060 9.060 8.336 0.724 25868 5610 1 11 . 1 1 69 69 LYS N N 69 119.434 119.434 118.972 0.462 25868 5611 1 11 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.006 -0.016 25868 5612 1 11 . 1 1 69 69 LYS C C 69 178.929 178.929 178.701 0.228 25868 5613 1 11 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.515 0.020 25868 5614 1 11 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.557 -0.447 25868 5615 1 11 . 1 1 69 69 LYS H H 69 7.997 7.997 8.261 -0.264 25868 5616 1 11 . 1 1 70 70 SER N N 70 116.406 116.406 115.990 0.416 25868 5617 1 11 . 1 1 70 70 SER HA H 70 3.908 3.908 4.006 -0.098 25868 5618 1 11 . 1 1 70 70 SER C C 70 175.957 175.957 176.000 -0.043 25868 5619 1 11 . 1 1 70 70 SER CA C 70 62.776 62.776 61.401 1.375 25868 5620 1 11 . 1 1 70 70 SER CB C 70 60.389 60.389 62.636 -2.247 25868 5621 1 11 . 1 1 70 70 SER H H 70 8.105 8.105 7.870 0.235 25868 5622 1 11 . 1 1 71 71 LEU N N 71 123.712 123.712 123.447 0.265 25868 5623 1 11 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.140 -0.059 25868 5624 1 11 . 1 1 71 71 LEU C C 71 176.893 176.893 178.284 -1.391 25868 5625 1 11 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.070 0.907 25868 5626 1 11 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.965 0.479 25868 5627 1 11 . 1 1 71 71 LEU H H 71 8.315 8.315 7.785 0.530 25868 5628 1 11 . 1 1 72 72 LYS N N 72 117.431 117.431 118.392 -0.961 25868 5629 1 11 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.990 -0.128 25868 5630 1 11 . 1 1 72 72 LYS C C 72 179.617 179.617 179.265 0.352 25868 5631 1 11 . 1 1 72 72 LYS CA C 72 59.540 59.540 58.989 0.551 25868 5632 1 11 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.689 0.301 25868 5633 1 11 . 1 1 72 72 LYS H H 72 7.785 7.785 7.692 0.093 25868 5634 1 11 . 1 1 73 73 GLU N N 73 117.402 117.402 118.197 -0.795 25868 5635 1 11 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.129 -0.110 25868 5636 1 11 . 1 1 73 73 GLU C C 73 178.475 178.475 178.498 -0.023 25868 5637 1 11 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.683 -0.038 25868 5638 1 11 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.028 0.381 25868 5639 1 11 . 1 1 73 73 GLU H H 73 7.920 7.920 7.702 0.218 25868 5640 1 11 . 1 1 74 74 ALA N N 74 122.211 122.211 121.165 1.046 25868 5641 1 11 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.195 0.124 25868 5642 1 11 . 1 1 74 74 ALA C C 74 178.839 178.839 179.248 -0.409 25868 5643 1 11 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.729 -0.351 25868 5644 1 11 . 1 1 74 74 ALA CB C 74 17.530 17.530 19.163 -1.633 25868 5645 1 11 . 1 1 74 74 ALA H H 74 8.010 8.010 7.597 0.413 25868 5646 1 11 . 1 1 75 75 ILE N N 75 113.486 113.486 118.360 -4.874 25868 5647 1 11 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.709 -0.294 25868 5648 1 11 . 1 1 75 75 ILE C C 75 177.333 177.333 178.126 -0.793 25868 5649 1 11 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.506 2.308 25868 5650 1 11 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.964 1.233 25868 5651 1 11 . 1 1 75 75 ILE H H 75 7.405 7.405 7.905 -0.500 25868 5652 1 11 . 1 1 76 76 THR N N 76 105.977 105.977 109.663 -3.686 25868 5653 1 11 . 1 1 76 76 THR HA H 76 3.963 3.963 4.080 -0.117 25868 5654 1 11 . 1 1 76 76 THR C C 76 174.609 174.609 175.370 -0.761 25868 5655 1 11 . 1 1 76 76 THR CA C 76 63.773 63.773 64.328 -0.555 25868 5656 1 11 . 1 1 76 76 THR CB C 76 68.757 68.757 68.985 -0.228 25868 5657 1 11 . 1 1 76 76 THR H H 76 7.217 7.217 7.861 -0.644 25868 5658 1 11 . 1 1 77 77 ALA N N 77 122.534 122.534 123.644 -1.110 25868 5659 1 11 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.552 -0.135 25868 5660 1 11 . 1 1 77 77 ALA C C 77 177.085 177.085 177.711 -0.626 25868 5661 1 11 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.820 -0.192 25868 5662 1 11 . 1 1 77 77 ALA CB C 77 19.781 19.781 20.242 -0.461 25868 5663 1 11 . 1 1 77 77 ALA H H 77 7.486 7.486 7.424 0.062 25868 5664 1 11 . 1 1 78 78 ILE N N 78 123.223 123.223 121.915 1.308 25868 5665 1 11 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.172 0.040 25868 5666 1 11 . 1 1 78 78 ILE C C 78 174.939 174.939 174.282 0.657 25868 5667 1 11 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.436 0.362 25868 5668 1 11 . 1 1 78 78 ILE CB C 78 39.616 39.616 38.118 1.498 25868 5669 1 11 . 1 1 78 78 ILE H H 78 7.428 7.428 7.397 0.031 25868 5670 1 11 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.452 -0.014 25868 5671 1 11 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.367 1.718 25868 5672 1 11 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.683 -0.374 25868 5673 1 11 . 1 1 83 83 GLY N N 83 105.726 105.726 114.006 -8.280 25868 5674 1 11 . 1 1 83 83 GLY C C 83 175.765 175.765 175.248 0.517 25868 5675 1 11 . 1 1 83 83 GLY CA C 83 46.491 46.491 46.214 0.277 25868 5676 1 11 . 1 1 83 83 GLY H H 83 7.613 7.613 8.439 -0.826 25868 5677 1 11 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.105 -0.221 25868 5678 1 11 . 1 1 84 84 ARG CA C 84 60.321 60.321 57.691 2.630 25868 5679 1 11 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.569 0.258 25868 5680 1 11 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.230 -0.246 25868 5681 1 11 . 1 1 86 86 GLU C C 86 179.163 179.163 175.969 3.194 25868 5682 1 11 . 1 1 86 86 GLU CA C 86 59.196 59.196 57.878 1.318 25868 5683 1 11 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.958 -1.030 25868 5684 1 11 . 1 1 86 86 GLU H H 86 7.965 7.965 8.409 -0.444 25868 5685 1 11 . 1 1 87 87 ALA N N 87 122.092 122.092 123.784 -1.692 25868 5686 1 11 . 1 1 87 87 ALA HA H 87 4.199 4.199 3.965 0.234 25868 5687 1 11 . 1 1 87 87 ALA C C 87 178.980 178.980 179.045 -0.065 25868 5688 1 11 . 1 1 87 87 ALA CA C 87 54.669 54.669 55.175 -0.506 25868 5689 1 11 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.776 -0.363 25868 5690 1 11 . 1 1 87 87 ALA H H 87 8.108 8.108 8.116 -0.008 25868 5691 1 11 . 1 1 88 88 LYS N N 88 118.808 118.808 118.288 0.520 25868 5692 1 11 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.955 -0.062 25868 5693 1 11 . 1 1 88 88 LYS C C 88 179.341 179.341 178.561 0.780 25868 5694 1 11 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.327 0.676 25868 5695 1 11 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.168 0.058 25868 5696 1 11 . 1 1 88 88 LYS H H 88 8.501 8.501 7.660 0.841 25868 5697 1 11 . 1 1 89 89 GLU N N 89 119.454 119.454 118.817 0.637 25868 5698 1 11 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.044 -0.049 25868 5699 1 11 . 1 1 89 89 GLU C C 89 179.017 179.017 178.972 0.045 25868 5700 1 11 . 1 1 89 89 GLU CA C 89 58.943 58.943 59.119 -0.176 25868 5701 1 11 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.882 -0.050 25868 5702 1 11 . 1 1 89 89 GLU H H 89 7.544 7.544 7.827 -0.283 25868 5703 1 11 . 1 1 90 90 MET N N 90 119.262 119.262 118.722 0.540 25868 5704 1 11 . 1 1 90 90 MET HA H 90 3.284 3.284 3.560 -0.276 25868 5705 1 11 . 1 1 90 90 MET C C 90 177.003 177.003 177.877 -0.874 25868 5706 1 11 . 1 1 90 90 MET CA C 90 59.168 59.168 58.638 0.530 25868 5707 1 11 . 1 1 90 90 MET CB C 90 33.468 33.468 31.701 1.767 25868 5708 1 11 . 1 1 90 90 MET H H 90 7.600 7.600 7.503 0.097 25868 5709 1 11 . 1 1 91 91 ALA N N 91 120.041 120.041 121.754 -1.713 25868 5710 1 11 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.991 -0.123 25868 5711 1 11 . 1 1 91 91 ALA C C 91 179.039 179.039 179.443 -0.404 25868 5712 1 11 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.252 -0.222 25868 5713 1 11 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.018 0.066 25868 5714 1 11 . 1 1 91 91 ALA H H 91 8.212 8.212 8.009 0.203 25868 5715 1 11 . 1 1 92 92 LYS N N 92 118.442 118.442 117.578 0.864 25868 5716 1 11 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.990 -0.068 25868 5717 1 11 . 1 1 92 92 LYS C C 92 178.874 178.874 178.696 0.178 25868 5718 1 11 . 1 1 92 92 LYS CA C 92 59.121 59.121 58.293 0.828 25868 5719 1 11 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.767 0.476 25868 5720 1 11 . 1 1 92 92 LYS H H 92 7.819 7.819 7.476 0.343 25868 5721 1 11 . 1 1 93 93 LYS N N 93 119.228 119.228 119.275 -0.047 25868 5722 1 11 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.619 -0.042 25868 5723 1 11 . 1 1 93 93 LYS C C 93 176.618 176.618 178.091 -1.473 25868 5724 1 11 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.717 -0.591 25868 5725 1 11 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.692 -0.547 25868 5726 1 11 . 1 1 93 93 LYS H H 93 7.449 7.449 7.656 -0.207 25868 5727 1 11 . 1 1 94 94 ALA N N 94 117.825 117.825 119.835 -2.010 25868 5728 1 11 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.817 -0.036 25868 5729 1 11 . 1 1 94 94 ALA C C 94 178.736 178.736 179.293 -0.557 25868 5730 1 11 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.077 -0.199 25868 5731 1 11 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.113 -0.870 25868 5732 1 11 . 1 1 94 94 ALA H H 94 7.698 7.698 7.599 0.099 25868 5733 1 11 . 1 1 95 95 GLU N N 95 115.361 115.361 118.977 -3.616 25868 5734 1 11 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.061 -0.152 25868 5735 1 11 . 1 1 95 95 GLU C C 95 178.984 178.984 178.922 0.062 25868 5736 1 11 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.286 0.094 25868 5737 1 11 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.464 0.012 25868 5738 1 11 . 1 1 95 95 GLU H H 95 7.907 7.907 7.492 0.415 25868 5739 1 11 . 1 1 96 96 GLU N N 96 121.608 121.608 119.313 2.295 25868 5740 1 11 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.074 -0.125 25868 5741 1 11 . 1 1 96 96 GLU C C 96 180.249 180.249 179.314 0.935 25868 5742 1 11 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.013 0.184 25868 5743 1 11 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.079 -0.199 25868 5744 1 11 . 1 1 96 96 GLU H H 96 7.815 7.815 8.112 -0.297 25868 5745 1 11 . 1 1 97 97 TRP N N 97 122.511 122.511 119.884 2.627 25868 5746 1 11 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.377 0.021 25868 5747 1 11 . 1 1 97 97 TRP C C 97 178.007 178.007 178.783 -0.776 25868 5748 1 11 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.339 -0.603 25868 5749 1 11 . 1 1 97 97 TRP CB C 97 27.978 27.978 27.992 -0.014 25868 5750 1 11 . 1 1 97 97 TRP H H 97 8.069 8.069 8.062 0.007 25868 5751 1 11 . 1 1 98 98 LEU N N 98 119.235 119.235 120.360 -1.125 25868 5752 1 11 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.034 0.049 25868 5753 1 11 . 1 1 98 98 LEU C C 98 178.599 178.599 178.814 -0.215 25868 5754 1 11 . 1 1 98 98 LEU CA C 98 57.654 57.654 57.971 -0.317 25868 5755 1 11 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.779 0.186 25868 5756 1 11 . 1 1 98 98 LEU H H 98 8.077 8.077 7.849 0.228 25868 5757 1 11 . 1 1 99 99 GLN N N 99 117.609 117.609 117.847 -0.238 25868 5758 1 11 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.008 0.108 25868 5759 1 11 . 1 1 99 99 GLN C C 99 177.636 177.636 178.830 -1.194 25868 5760 1 11 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.827 -1.107 25868 5761 1 11 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.663 -0.417 25868 5762 1 11 . 1 1 99 99 GLN H H 99 8.077 8.077 7.600 0.477 25868 5763 1 11 . 1 1 100 100 ALA N N 100 122.106 122.106 122.306 -0.200 25868 5764 1 11 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.204 0.101 25868 5765 1 11 . 1 1 100 100 ALA C C 100 179.424 179.424 179.846 -0.422 25868 5766 1 11 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.695 -0.642 25868 5767 1 11 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.401 0.152 25868 5768 1 11 . 1 1 100 100 ALA H H 100 7.944 7.944 7.760 0.184 25868 5769 1 11 . 1 1 101 101 GLU N N 101 117.817 117.817 115.148 2.669 25868 5770 1 11 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.343 0.013 25868 5771 1 11 . 1 1 101 101 GLU C C 101 177.415 177.415 176.079 1.336 25868 5772 1 11 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.428 -0.415 25868 5773 1 11 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.001 0.398 25868 5774 1 11 . 1 1 101 101 GLU H H 101 8.162 8.162 8.079 0.083 25868 5775 1 11 . 1 1 102 102 GLN N N 102 118.194 118.194 114.900 3.294 25868 5776 1 11 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.503 -0.169 25868 5777 1 11 . 1 1 102 102 GLN C C 102 175.755 175.755 174.346 1.409 25868 5778 1 11 . 1 1 102 102 GLN CA C 102 56.327 56.327 54.980 1.347 25868 5779 1 11 . 1 1 102 102 GLN CB C 102 29.294 29.294 28.714 0.580 25868 5780 1 11 . 1 1 102 102 GLN H H 102 8.094 8.094 7.504 0.590 25868 5781 1 11 . 1 1 103 103 ASN N N 103 119.032 119.032 120.081 -1.049 25868 5782 1 11 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.910 -0.120 25868 5783 1 11 . 1 1 103 103 ASN C C 103 173.949 173.949 174.542 -0.593 25868 5784 1 11 . 1 1 103 103 ASN CA C 103 53.029 53.029 52.653 0.376 25868 5785 1 11 . 1 1 103 103 ASN CB C 103 39.050 39.050 40.006 -0.956 25868 5786 1 11 . 1 1 103 103 ASN H H 103 8.149 8.149 8.544 -0.395 25868 5787 1 12 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.485 0.089 25868 5788 1 12 . 1 1 2 2 ASP C C 2 176.630 176.630 176.963 -0.333 25868 5789 1 12 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.638 0.404 25868 5790 1 12 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.814 0.087 25868 5791 1 12 . 1 1 3 3 GLU N N 3 121.683 121.683 121.250 0.433 25868 5792 1 12 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.885 0.295 25868 5793 1 12 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.711 -1.815 25868 5794 1 12 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.553 -0.146 25868 5795 1 12 . 1 1 3 3 GLU H H 3 8.889 8.889 8.619 0.270 25868 5796 1 12 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.257 0.188 25868 5797 1 12 . 1 1 4 4 ASN C C 4 176.095 176.095 177.477 -1.382 25868 5798 1 12 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.800 -1.155 25868 5799 1 12 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.153 -0.347 25868 5800 1 12 . 1 1 5 5 ILE N N 5 119.355 119.355 121.094 -1.739 25868 5801 1 12 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.729 0.148 25868 5802 1 12 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.243 -1.161 25868 5803 1 12 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.701 -0.010 25868 5804 1 12 . 1 1 5 5 ILE H H 5 8.018 8.018 7.785 0.233 25868 5805 1 12 . 1 1 6 6 ALA N N 6 123.430 123.430 121.328 2.102 25868 5806 1 12 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.153 0.096 25868 5807 1 12 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.080 -0.908 25868 5808 1 12 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.245 -0.001 25868 5809 1 12 . 1 1 6 6 ALA H H 6 8.041 8.041 7.868 0.173 25868 5810 1 12 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.986 0.044 25868 5811 1 12 . 1 1 7 7 LYS C C 7 178.778 178.778 178.953 -0.175 25868 5812 1 12 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.987 -0.233 25868 5813 1 12 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.031 -0.018 25868 5814 1 12 . 1 1 8 8 PHE N N 8 120.439 120.439 117.350 3.089 25868 5815 1 12 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.324 0.350 25868 5816 1 12 . 1 1 8 8 PHE C C 8 177.470 177.470 178.653 -1.183 25868 5817 1 12 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.200 -1.045 25868 5818 1 12 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.279 0.997 25868 5819 1 12 . 1 1 8 8 PHE H H 8 7.908 7.908 7.527 0.381 25868 5820 1 12 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.093 0.036 25868 5821 1 12 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.349 -0.237 25868 5822 1 12 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.405 0.389 25868 5823 1 12 . 1 1 11 11 ALA N N 11 122.712 122.712 120.148 2.564 25868 5824 1 12 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.273 -0.067 25868 5825 1 12 . 1 1 11 11 ALA CA C 11 54.170 54.170 54.036 0.134 25868 5826 1 12 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.199 -0.938 25868 5827 1 12 . 1 1 11 11 ALA H H 11 7.945 7.945 7.685 0.260 25868 5828 1 12 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.592 -0.471 25868 5829 1 12 . 1 1 12 12 TYR CA C 12 59.166 59.166 56.362 2.804 25868 5830 1 12 . 1 1 12 12 TYR CB C 12 38.000 38.000 36.756 1.244 25868 5831 1 12 . 1 1 13 13 LYS N N 13 120.452 120.452 123.947 -3.495 25868 5832 1 12 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.453 -0.413 25868 5833 1 12 . 1 1 13 13 LYS CA C 13 57.813 57.813 56.127 1.687 25868 5834 1 12 . 1 1 13 13 LYS CB C 13 32.327 32.327 32.019 0.308 25868 5835 1 12 . 1 1 13 13 LYS H H 13 8.017 8.017 7.575 0.442 25868 5836 1 12 . 1 1 14 14 LYS HA H 14 4.154 4.154 3.919 0.235 25868 5837 1 12 . 1 1 14 14 LYS CA C 14 57.675 57.675 57.259 0.416 25868 5838 1 12 . 1 1 14 14 LYS CB C 14 32.196 32.196 31.645 0.551 25868 5839 1 12 . 1 1 14 14 LYS H H 14 8.011 8.011 8.550 -0.539 25868 5840 1 12 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.311 -0.039 25868 5841 1 12 . 1 1 15 15 ALA C C 15 179.056 179.056 176.205 2.851 25868 5842 1 12 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.359 1.612 25868 5843 1 12 . 1 1 15 15 ALA CB C 15 18.684 18.684 17.399 1.285 25868 5844 1 12 . 1 1 16 16 GLU N N 16 120.136 120.136 118.634 1.502 25868 5845 1 12 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.648 -0.433 25868 5846 1 12 . 1 1 16 16 GLU C C 16 179.176 179.176 176.108 3.068 25868 5847 1 12 . 1 1 16 16 GLU CA C 16 58.499 58.499 56.203 2.296 25868 5848 1 12 . 1 1 16 16 GLU CB C 16 29.915 29.915 31.523 -1.608 25868 5849 1 12 . 1 1 16 16 GLU H H 16 8.599 8.599 7.997 0.602 25868 5850 1 12 . 1 1 17 17 GLU N N 17 120.683 120.683 118.232 2.451 25868 5851 1 12 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.588 -0.514 25868 5852 1 12 . 1 1 17 17 GLU CA C 17 58.104 58.104 55.129 2.975 25868 5853 1 12 . 1 1 17 17 GLU CB C 17 29.718 29.718 31.729 -2.011 25868 5854 1 12 . 1 1 17 17 GLU H H 17 8.009 8.009 8.011 -0.002 25868 5855 1 12 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.041 0.289 25868 5856 1 12 . 1 1 18 18 LEU CA C 18 54.498 54.498 55.316 -0.817 25868 5857 1 12 . 1 1 18 18 LEU CB C 18 41.969 41.969 41.141 0.828 25868 5858 1 12 . 1 1 18 18 LEU H H 18 7.614 7.614 8.687 -1.073 25868 5859 1 12 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.330 0.079 25868 5860 1 12 . 1 1 19 19 ASN C C 19 174.609 174.609 174.168 0.441 25868 5861 1 12 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.040 -0.364 25868 5862 1 12 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.102 -0.277 25868 5863 1 12 . 1 1 20 20 GLN N N 20 118.736 118.736 119.068 -0.332 25868 5864 1 12 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.581 -0.121 25868 5865 1 12 . 1 1 20 20 GLN C C 20 176.659 176.659 174.483 2.176 25868 5866 1 12 . 1 1 20 20 GLN CA C 20 54.688 54.688 53.804 0.883 25868 5867 1 12 . 1 1 20 20 GLN CB C 20 28.164 28.164 31.376 -3.212 25868 5868 1 12 . 1 1 20 20 GLN H H 20 8.340 8.340 7.928 0.412 25868 5869 1 12 . 1 1 21 21 GLY N N 21 111.864 111.864 106.956 4.908 25868 5870 1 12 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.015 1.038 25868 5871 1 12 . 1 1 21 21 GLY H H 21 8.455 8.455 8.642 -0.187 25868 5872 1 12 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.233 0.030 25868 5873 1 12 . 1 1 23 23 LEU C C 23 179.620 179.620 176.523 3.097 25868 5874 1 12 . 1 1 23 23 LEU CA C 23 56.394 56.394 54.524 1.870 25868 5875 1 12 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.590 -0.039 25868 5876 1 12 . 1 1 24 24 MET N N 24 120.657 120.657 111.946 8.711 25868 5877 1 12 . 1 1 24 24 MET HA H 24 4.077 4.077 4.461 -0.384 25868 5878 1 12 . 1 1 24 24 MET CB C 24 34.035 34.035 34.253 -0.218 25868 5879 1 12 . 1 1 24 24 MET H H 24 8.219 8.219 7.282 0.937 25868 5880 1 12 . 1 1 25 25 GLY N N 25 106.956 106.956 108.019 -1.063 25868 5881 1 12 . 1 1 25 25 GLY C C 25 175.016 175.016 175.488 -0.472 25868 5882 1 12 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.844 0.926 25868 5883 1 12 . 1 1 25 25 GLY H H 25 8.589 8.589 8.946 -0.357 25868 5884 1 12 . 1 1 26 26 ARG N N 26 119.970 119.970 122.990 -3.020 25868 5885 1 12 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.178 0.038 25868 5886 1 12 . 1 1 26 26 ARG C C 26 177.966 177.966 178.130 -0.164 25868 5887 1 12 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.411 0.316 25868 5888 1 12 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.049 0.214 25868 5889 1 12 . 1 1 26 26 ARG H H 26 8.297 8.297 7.954 0.343 25868 5890 1 12 . 1 1 27 27 ALA N N 27 121.499 121.499 122.480 -0.981 25868 5891 1 12 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.115 0.149 25868 5892 1 12 . 1 1 27 27 ALA C C 27 179.878 179.878 179.886 -0.008 25868 5893 1 12 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.812 0.888 25868 5894 1 12 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.246 0.077 25868 5895 1 12 . 1 1 27 27 ALA H H 27 7.816 7.816 8.287 -0.471 25868 5896 1 12 . 1 1 28 28 LEU N N 28 117.285 117.285 118.952 -1.667 25868 5897 1 12 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.042 -0.015 25868 5898 1 12 . 1 1 28 28 LEU C C 28 178.158 178.158 178.820 -0.662 25868 5899 1 12 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.584 0.510 25868 5900 1 12 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.623 0.631 25868 5901 1 12 . 1 1 28 28 LEU H H 28 8.066 8.066 8.003 0.063 25868 5902 1 12 . 1 1 29 29 TYR N N 29 119.594 119.594 119.890 -0.296 25868 5903 1 12 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.217 -0.223 25868 5904 1 12 . 1 1 29 29 TYR C C 29 176.382 176.382 177.778 -1.396 25868 5905 1 12 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.799 0.868 25868 5906 1 12 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.490 0.420 25868 5907 1 12 . 1 1 29 29 TYR H H 29 8.568 8.568 8.418 0.150 25868 5908 1 12 . 1 1 30 30 ASN N N 30 116.978 116.978 116.690 0.288 25868 5909 1 12 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.118 0.143 25868 5910 1 12 . 1 1 30 30 ASN C C 30 178.521 178.521 177.238 1.283 25868 5911 1 12 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.445 -0.521 25868 5912 1 12 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.654 -1.190 25868 5913 1 12 . 1 1 30 30 ASN H H 30 8.290 8.290 7.865 0.425 25868 5914 1 12 . 1 1 31 31 ILE N N 31 122.107 122.107 119.619 2.488 25868 5915 1 12 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.723 -0.366 25868 5916 1 12 . 1 1 31 31 ILE C C 31 178.007 178.007 177.320 0.687 25868 5917 1 12 . 1 1 31 31 ILE CA C 31 66.197 66.197 63.987 2.210 25868 5918 1 12 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.106 0.580 25868 5919 1 12 . 1 1 31 31 ILE H H 31 8.006 8.006 6.971 1.035 25868 5920 1 12 . 1 1 32 32 GLY N N 32 107.810 107.810 108.163 -0.353 25868 5921 1 12 . 1 1 32 32 GLY C C 32 175.187 175.187 175.629 -0.442 25868 5922 1 12 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.797 1.722 25868 5923 1 12 . 1 1 32 32 GLY H H 32 7.880 7.880 7.712 0.168 25868 5924 1 12 . 1 1 33 33 LEU N N 33 120.587 120.587 122.130 -1.543 25868 5925 1 12 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.961 0.095 25868 5926 1 12 . 1 1 33 33 LEU C C 33 180.635 180.635 179.209 1.426 25868 5927 1 12 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.774 0.377 25868 5928 1 12 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.469 0.208 25868 5929 1 12 . 1 1 33 33 LEU H H 33 8.117 8.117 7.674 0.443 25868 5930 1 12 . 1 1 34 34 GLU N N 34 120.332 120.332 118.677 1.655 25868 5931 1 12 . 1 1 34 34 GLU HA H 34 3.973 3.973 3.992 -0.019 25868 5932 1 12 . 1 1 34 34 GLU C C 34 179.479 179.479 179.448 0.031 25868 5933 1 12 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.361 -0.499 25868 5934 1 12 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.029 0.122 25868 5935 1 12 . 1 1 34 34 GLU H H 34 7.763 7.763 7.651 0.112 25868 5936 1 12 . 1 1 35 35 LYS N N 35 118.642 118.642 118.325 0.317 25868 5937 1 12 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.046 -0.133 25868 5938 1 12 . 1 1 35 35 LYS C C 35 179.149 179.149 178.799 0.350 25868 5939 1 12 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.539 -0.697 25868 5940 1 12 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.968 -1.254 25868 5941 1 12 . 1 1 35 35 LYS H H 35 8.573 8.573 7.776 0.797 25868 5942 1 12 . 1 1 36 36 ASN N N 36 119.047 119.047 117.664 1.383 25868 5943 1 12 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.485 -0.177 25868 5944 1 12 . 1 1 36 36 ASN C C 36 179.782 179.782 178.191 1.591 25868 5945 1 12 . 1 1 36 36 ASN CA C 36 55.659 55.659 56.214 -0.555 25868 5946 1 12 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.574 -0.382 25868 5947 1 12 . 1 1 36 36 ASN H H 36 8.348 8.348 8.296 0.052 25868 5948 1 12 . 1 1 37 37 LYS N N 37 121.477 121.477 120.367 1.110 25868 5949 1 12 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.120 -0.036 25868 5950 1 12 . 1 1 37 37 LYS C C 37 177.938 177.938 177.917 0.021 25868 5951 1 12 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.883 0.407 25868 5952 1 12 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.502 -0.293 25868 5953 1 12 . 1 1 37 37 LYS H H 37 7.956 7.956 8.017 -0.061 25868 5954 1 12 . 1 1 38 38 MET N N 38 114.976 114.976 116.954 -1.978 25868 5955 1 12 . 1 1 38 38 MET HA H 38 4.519 4.519 4.434 0.085 25868 5956 1 12 . 1 1 38 38 MET C C 38 175.847 175.847 176.571 -0.724 25868 5957 1 12 . 1 1 38 38 MET CA C 38 55.264 55.264 55.883 -0.619 25868 5958 1 12 . 1 1 38 38 MET CB C 38 33.388 33.388 32.502 0.886 25868 5959 1 12 . 1 1 38 38 MET H H 38 7.394 7.394 7.556 -0.162 25868 5960 1 12 . 1 1 39 39 GLY N N 39 107.575 107.575 107.247 0.328 25868 5961 1 12 . 1 1 39 39 GLY C C 39 174.994 174.994 174.884 0.110 25868 5962 1 12 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.431 0.320 25868 5963 1 12 . 1 1 39 39 GLY H H 39 7.906 7.906 7.755 0.151 25868 5964 1 12 . 1 1 40 40 LYS N N 40 122.563 122.563 122.274 0.289 25868 5965 1 12 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.470 0.266 25868 5966 1 12 . 1 1 40 40 LYS C C 40 175.847 175.847 175.502 0.345 25868 5967 1 12 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.613 -1.233 25868 5968 1 12 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.761 -0.339 25868 5969 1 12 . 1 1 40 40 LYS H H 40 7.958 7.958 8.070 -0.112 25868 5970 1 12 . 1 1 41 41 ALA N N 41 123.662 123.662 123.275 0.387 25868 5971 1 12 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.153 -0.018 25868 5972 1 12 . 1 1 41 41 ALA C C 41 178.736 178.736 178.671 0.065 25868 5973 1 12 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.655 1.074 25868 5974 1 12 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.870 1.096 25868 5975 1 12 . 1 1 41 41 ALA H H 41 7.487 7.487 7.812 -0.325 25868 5976 1 12 . 1 1 42 42 ARG N N 42 118.612 118.612 118.176 0.436 25868 5977 1 12 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.040 -0.040 25868 5978 1 12 . 1 1 42 42 ARG C C 42 178.901 178.901 178.464 0.437 25868 5979 1 12 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.091 -0.294 25868 5980 1 12 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.350 -0.476 25868 5981 1 12 . 1 1 42 42 ARG H H 42 8.864 8.864 8.548 0.316 25868 5982 1 12 . 1 1 43 43 GLU N N 43 120.194 120.194 118.757 1.437 25868 5983 1 12 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.992 0.131 25868 5984 1 12 . 1 1 43 43 GLU C C 43 178.901 178.901 178.512 0.389 25868 5985 1 12 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.111 0.327 25868 5986 1 12 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.840 1.094 25868 5987 1 12 . 1 1 43 43 GLU H H 43 8.062 8.062 7.893 0.169 25868 5988 1 12 . 1 1 44 44 ALA N N 44 121.369 121.369 122.551 -1.182 25868 5989 1 12 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.854 -0.281 25868 5990 1 12 . 1 1 44 44 ALA C C 44 177.911 177.911 178.840 -0.929 25868 5991 1 12 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.126 0.636 25868 5992 1 12 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.206 0.342 25868 5993 1 12 . 1 1 44 44 ALA H H 44 8.627 8.627 7.793 0.834 25868 5994 1 12 . 1 1 45 45 ALA N N 45 117.108 117.108 119.674 -2.566 25868 5995 1 12 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.163 -0.078 25868 5996 1 12 . 1 1 45 45 ALA C C 45 178.078 178.078 179.528 -1.450 25868 5997 1 12 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.149 0.427 25868 5998 1 12 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.253 -0.813 25868 5999 1 12 . 1 1 45 45 ALA H H 45 8.310 8.310 8.023 0.287 25868 6000 1 12 . 1 1 46 46 GLU N N 46 115.941 115.941 119.345 -3.404 25868 6001 1 12 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.069 -0.150 25868 6002 1 12 . 1 1 46 46 GLU C C 46 179.341 179.341 178.997 0.344 25868 6003 1 12 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.618 0.139 25868 6004 1 12 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.027 0.110 25868 6005 1 12 . 1 1 46 46 GLU H H 46 7.451 7.451 7.633 -0.182 25868 6006 1 12 . 1 1 47 47 TYR N N 47 117.925 117.925 118.989 -1.064 25868 6007 1 12 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.206 -0.361 25868 6008 1 12 . 1 1 47 47 TYR C C 47 178.544 178.544 178.774 -0.230 25868 6009 1 12 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.418 3.246 25868 6010 1 12 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.978 -0.664 25868 6011 1 12 . 1 1 47 47 TYR H H 47 7.746 7.746 7.479 0.267 25868 6012 1 12 . 1 1 48 48 PHE N N 48 118.758 118.758 117.855 0.903 25868 6013 1 12 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.479 0.269 25868 6014 1 12 . 1 1 48 48 PHE C C 48 178.227 178.227 178.070 0.157 25868 6015 1 12 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.658 -0.105 25868 6016 1 12 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.246 -0.097 25868 6017 1 12 . 1 1 48 48 PHE H H 48 9.054 9.054 8.323 0.731 25868 6018 1 12 . 1 1 49 49 PHE N N 49 120.234 120.234 122.186 -1.952 25868 6019 1 12 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.344 0.154 25868 6020 1 12 . 1 1 49 49 PHE C C 49 176.645 176.645 177.141 -0.496 25868 6021 1 12 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.386 -0.165 25868 6022 1 12 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.252 1.037 25868 6023 1 12 . 1 1 49 49 PHE H H 49 8.981 8.981 8.187 0.794 25868 6024 1 12 . 1 1 50 50 ARG N N 50 117.925 117.925 118.658 -0.733 25868 6025 1 12 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.781 -0.001 25868 6026 1 12 . 1 1 50 50 ARG C C 50 179.369 179.369 178.597 0.772 25868 6027 1 12 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.518 0.311 25868 6028 1 12 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.941 0.582 25868 6029 1 12 . 1 1 50 50 ARG H H 50 8.450 8.450 8.691 -0.241 25868 6030 1 12 . 1 1 51 51 ALA N N 51 120.897 120.897 121.831 -0.934 25868 6031 1 12 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.987 -0.271 25868 6032 1 12 . 1 1 51 51 ALA C C 51 177.085 177.085 178.972 -1.887 25868 6033 1 12 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.099 -0.001 25868 6034 1 12 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.495 -1.229 25868 6035 1 12 . 1 1 51 51 ALA H H 51 8.697 8.697 8.109 0.588 25868 6036 1 12 . 1 1 52 52 ALA N N 52 120.007 120.007 121.452 -1.445 25868 6037 1 12 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.322 -0.253 25868 6038 1 12 . 1 1 52 52 ALA C C 52 178.067 178.067 179.835 -1.768 25868 6039 1 12 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.024 1.084 25868 6040 1 12 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.642 -1.389 25868 6041 1 12 . 1 1 52 52 ALA H H 52 8.483 8.483 7.820 0.663 25868 6042 1 12 . 1 1 53 53 ILE N N 53 116.864 116.864 118.780 -1.916 25868 6043 1 12 . 1 1 53 53 ILE HA H 53 3.183 3.183 2.937 0.246 25868 6044 1 12 . 1 1 53 53 ILE C C 53 178.323 178.323 177.651 0.672 25868 6045 1 12 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.090 0.675 25868 6046 1 12 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.500 0.976 25868 6047 1 12 . 1 1 53 53 ILE H H 53 8.033 8.033 7.932 0.101 25868 6048 1 12 . 1 1 54 54 VAL N N 54 119.604 119.604 120.138 -0.534 25868 6049 1 12 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.506 -0.015 25868 6050 1 12 . 1 1 54 54 VAL C C 54 178.200 178.200 178.078 0.122 25868 6051 1 12 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.836 -0.460 25868 6052 1 12 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.267 0.141 25868 6053 1 12 . 1 1 54 54 VAL H H 54 7.126 7.126 7.467 -0.341 25868 6054 1 12 . 1 1 55 55 PHE N N 55 118.386 118.386 118.039 0.347 25868 6055 1 12 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.111 0.425 25868 6056 1 12 . 1 1 55 55 PHE C C 55 178.571 178.571 177.484 1.087 25868 6057 1 12 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.551 -2.064 25868 6058 1 12 . 1 1 55 55 PHE CB C 55 38.157 38.157 38.198 -0.041 25868 6059 1 12 . 1 1 55 55 PHE H H 55 9.061 9.061 8.221 0.840 25868 6060 1 12 . 1 1 56 56 TYR N N 56 119.488 119.488 120.915 -1.427 25868 6061 1 12 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.881 0.470 25868 6062 1 12 . 1 1 56 56 TYR C C 56 178.871 178.871 176.974 1.897 25868 6063 1 12 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.889 -1.395 25868 6064 1 12 . 1 1 56 56 TYR CB C 56 37.803 37.803 37.866 -0.063 25868 6065 1 12 . 1 1 56 56 TYR H H 56 8.975 8.975 7.849 1.126 25868 6066 1 12 . 1 1 57 57 LYS N N 57 121.083 121.083 118.361 2.722 25868 6067 1 12 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.688 -0.225 25868 6068 1 12 . 1 1 57 57 LYS C C 57 178.103 178.103 178.250 -0.147 25868 6069 1 12 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.236 0.609 25868 6070 1 12 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.968 -0.243 25868 6071 1 12 . 1 1 57 57 LYS H H 57 7.753 7.753 7.745 0.008 25868 6072 1 12 . 1 1 58 58 GLU N N 58 114.098 114.098 115.551 -1.453 25868 6073 1 12 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.297 -0.140 25868 6074 1 12 . 1 1 58 58 GLU C C 58 175.655 175.655 176.214 -0.559 25868 6075 1 12 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.452 -1.318 25868 6076 1 12 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.045 -0.405 25868 6077 1 12 . 1 1 58 58 GLU H H 58 7.849 7.849 7.583 0.266 25868 6078 1 12 . 1 1 59 59 HIS N N 59 115.781 115.781 113.390 2.391 25868 6079 1 12 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.237 -0.027 25868 6080 1 12 . 1 1 59 59 HIS C C 59 173.784 173.784 174.017 -0.233 25868 6081 1 12 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.978 -0.567 25868 6082 1 12 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.162 -1.324 25868 6083 1 12 . 1 1 59 59 HIS H H 59 7.659 7.659 7.428 0.231 25868 6084 1 12 . 1 1 60 60 ASP N N 60 118.780 118.780 120.052 -1.272 25868 6085 1 12 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.726 0.133 25868 6086 1 12 . 1 1 60 60 ASP C C 60 175.847 175.847 177.126 -1.279 25868 6087 1 12 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.220 -1.417 25868 6088 1 12 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.885 -0.754 25868 6089 1 12 . 1 1 60 60 ASP H H 60 8.660 8.660 7.985 0.675 25868 6090 1 12 . 1 1 61 61 THR N N 61 118.884 118.884 119.254 -0.370 25868 6091 1 12 . 1 1 61 61 THR HA H 61 3.763 3.763 4.004 -0.241 25868 6092 1 12 . 1 1 61 61 THR C C 61 175.886 175.886 176.298 -0.412 25868 6093 1 12 . 1 1 61 61 THR CA C 61 66.159 66.159 66.167 -0.008 25868 6094 1 12 . 1 1 61 61 THR CB C 61 68.168 68.168 68.626 -0.458 25868 6095 1 12 . 1 1 61 61 THR H H 61 7.955 7.955 8.345 -0.390 25868 6096 1 12 . 1 1 62 62 ASP N N 62 121.668 121.668 122.316 -0.648 25868 6097 1 12 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.411 -0.149 25868 6098 1 12 . 1 1 62 62 ASP C C 62 178.461 178.461 178.207 0.254 25868 6099 1 12 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.991 -0.542 25868 6100 1 12 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.045 0.890 25868 6101 1 12 . 1 1 62 62 ASP H H 62 8.298 8.298 7.829 0.469 25868 6102 1 12 . 1 1 63 63 GLY N N 63 109.003 109.003 107.687 1.316 25868 6103 1 12 . 1 1 63 63 GLY C C 63 175.517 175.517 175.348 0.169 25868 6104 1 12 . 1 1 63 63 GLY CA C 63 46.059 46.059 45.470 0.589 25868 6105 1 12 . 1 1 63 63 GLY H H 63 8.018 8.018 8.187 -0.169 25868 6106 1 12 . 1 1 64 64 LEU N N 64 122.504 122.504 123.143 -0.639 25868 6107 1 12 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.148 -0.066 25868 6108 1 12 . 1 1 64 64 LEU C C 64 177.333 177.333 178.363 -1.030 25868 6109 1 12 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.709 0.784 25868 6110 1 12 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.943 0.164 25868 6111 1 12 . 1 1 64 64 LEU H H 64 8.073 8.073 8.062 0.011 25868 6112 1 12 . 1 1 65 65 ARG N N 65 118.626 118.626 117.944 0.682 25868 6113 1 12 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.982 -0.090 25868 6114 1 12 . 1 1 65 65 ARG C C 65 179.045 179.045 178.469 0.576 25868 6115 1 12 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.350 0.505 25868 6116 1 12 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.041 -0.106 25868 6117 1 12 . 1 1 65 65 ARG H H 65 8.491 8.491 8.035 0.456 25868 6118 1 12 . 1 1 66 66 ARG N N 66 119.009 119.009 120.145 -1.136 25868 6119 1 12 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.978 -0.011 25868 6120 1 12 . 1 1 66 66 ARG C C 66 178.943 178.943 177.902 1.041 25868 6121 1 12 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.617 0.596 25868 6122 1 12 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.427 0.124 25868 6123 1 12 . 1 1 66 66 ARG H H 66 7.601 7.601 7.707 -0.106 25868 6124 1 12 . 1 1 67 67 ALA N N 67 122.174 122.174 120.349 1.825 25868 6125 1 12 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.435 -0.258 25868 6126 1 12 . 1 1 67 67 ALA C C 67 178.654 178.654 179.719 -1.065 25868 6127 1 12 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.678 1.415 25868 6128 1 12 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.393 -0.514 25868 6129 1 12 . 1 1 67 67 ALA H H 67 8.681 8.681 8.001 0.680 25868 6130 1 12 . 1 1 68 68 ALA N N 68 119.208 119.208 121.645 -2.437 25868 6131 1 12 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.150 -0.199 25868 6132 1 12 . 1 1 68 68 ALA C C 68 179.562 179.562 179.374 0.188 25868 6133 1 12 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.041 0.524 25868 6134 1 12 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.373 -0.532 25868 6135 1 12 . 1 1 68 68 ALA H H 68 9.060 9.060 8.269 0.791 25868 6136 1 12 . 1 1 69 69 LYS N N 69 119.434 119.434 119.571 -0.137 25868 6137 1 12 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.992 -0.002 25868 6138 1 12 . 1 1 69 69 LYS C C 69 178.929 178.929 178.615 0.314 25868 6139 1 12 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.837 0.698 25868 6140 1 12 . 1 1 69 69 LYS CB C 69 32.110 32.110 31.988 0.122 25868 6141 1 12 . 1 1 69 69 LYS H H 69 7.997 7.997 8.029 -0.032 25868 6142 1 12 . 1 1 70 70 SER N N 70 116.406 116.406 114.455 1.951 25868 6143 1 12 . 1 1 70 70 SER HA H 70 3.908 3.908 4.070 -0.162 25868 6144 1 12 . 1 1 70 70 SER C C 70 175.957 175.957 176.370 -0.413 25868 6145 1 12 . 1 1 70 70 SER CA C 70 62.776 62.776 60.312 2.464 25868 6146 1 12 . 1 1 70 70 SER CB C 70 60.389 60.389 61.938 -1.549 25868 6147 1 12 . 1 1 70 70 SER H H 70 8.105 8.105 7.763 0.342 25868 6148 1 12 . 1 1 71 71 LEU N N 71 123.712 123.712 123.340 0.372 25868 6149 1 12 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.223 -0.142 25868 6150 1 12 . 1 1 71 71 LEU C C 71 176.893 176.893 178.584 -1.691 25868 6151 1 12 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.247 0.730 25868 6152 1 12 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.003 0.441 25868 6153 1 12 . 1 1 71 71 LEU H H 71 8.315 8.315 7.929 0.386 25868 6154 1 12 . 1 1 72 72 LYS N N 72 117.431 117.431 118.179 -0.748 25868 6155 1 12 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.968 -0.106 25868 6156 1 12 . 1 1 72 72 LYS C C 72 179.617 179.617 179.253 0.364 25868 6157 1 12 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.749 -0.209 25868 6158 1 12 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.252 -0.262 25868 6159 1 12 . 1 1 72 72 LYS H H 72 7.785 7.785 7.669 0.116 25868 6160 1 12 . 1 1 73 73 GLU N N 73 117.402 117.402 117.895 -0.493 25868 6161 1 12 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.191 -0.172 25868 6162 1 12 . 1 1 73 73 GLU C C 73 178.475 178.475 178.768 -0.293 25868 6163 1 12 . 1 1 73 73 GLU CA C 73 58.645 58.645 57.906 0.739 25868 6164 1 12 . 1 1 73 73 GLU CB C 73 29.409 29.409 28.907 0.502 25868 6165 1 12 . 1 1 73 73 GLU H H 73 7.920 7.920 8.124 -0.204 25868 6166 1 12 . 1 1 74 74 ALA N N 74 122.211 122.211 123.103 -0.892 25868 6167 1 12 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.454 -0.135 25868 6168 1 12 . 1 1 74 74 ALA C C 74 178.839 178.839 179.230 -0.391 25868 6169 1 12 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.626 -0.248 25868 6170 1 12 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.855 -1.325 25868 6171 1 12 . 1 1 74 74 ALA H H 74 8.010 8.010 7.742 0.268 25868 6172 1 12 . 1 1 75 75 ILE N N 75 113.486 113.486 118.342 -4.856 25868 6173 1 12 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.693 -0.278 25868 6174 1 12 . 1 1 75 75 ILE C C 75 177.333 177.333 177.995 -0.662 25868 6175 1 12 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.783 2.031 25868 6176 1 12 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.513 1.684 25868 6177 1 12 . 1 1 75 75 ILE H H 75 7.405 7.405 7.748 -0.343 25868 6178 1 12 . 1 1 76 76 THR N N 76 105.977 105.977 113.756 -7.779 25868 6179 1 12 . 1 1 76 76 THR HA H 76 3.963 3.963 4.033 -0.070 25868 6180 1 12 . 1 1 76 76 THR C C 76 174.609 174.609 176.606 -1.997 25868 6181 1 12 . 1 1 76 76 THR CA C 76 63.773 63.773 65.885 -2.112 25868 6182 1 12 . 1 1 76 76 THR CB C 76 68.757 68.757 68.479 0.278 25868 6183 1 12 . 1 1 76 76 THR H H 76 7.217 7.217 7.769 -0.552 25868 6184 1 12 . 1 1 77 77 ALA N N 77 122.534 122.534 124.016 -1.482 25868 6185 1 12 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.408 0.009 25868 6186 1 12 . 1 1 77 77 ALA C C 77 177.085 177.085 177.681 -0.596 25868 6187 1 12 . 1 1 77 77 ALA CA C 77 51.628 51.628 52.300 -0.672 25868 6188 1 12 . 1 1 77 77 ALA CB C 77 19.781 19.781 18.970 0.811 25868 6189 1 12 . 1 1 77 77 ALA H H 77 7.486 7.486 7.486 0.000 25868 6190 1 12 . 1 1 78 78 ILE N N 78 123.223 123.223 121.355 1.868 25868 6191 1 12 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.046 0.166 25868 6192 1 12 . 1 1 78 78 ILE C C 78 174.939 174.939 174.040 0.899 25868 6193 1 12 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.756 0.042 25868 6194 1 12 . 1 1 78 78 ILE CB C 78 39.616 39.616 38.111 1.505 25868 6195 1 12 . 1 1 78 78 ILE H H 78 7.428 7.428 7.194 0.234 25868 6196 1 12 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.342 0.096 25868 6197 1 12 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.450 0.635 25868 6198 1 12 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.611 -0.302 25868 6199 1 12 . 1 1 83 83 GLY N N 83 105.726 105.726 109.569 -3.843 25868 6200 1 12 . 1 1 83 83 GLY C C 83 175.765 175.765 175.952 -0.187 25868 6201 1 12 . 1 1 83 83 GLY CA C 83 46.491 46.491 46.589 -0.098 25868 6202 1 12 . 1 1 83 83 GLY H H 83 7.613 7.613 8.554 -0.941 25868 6203 1 12 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.066 -0.182 25868 6204 1 12 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.083 2.238 25868 6205 1 12 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.847 0.980 25868 6206 1 12 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.345 -0.361 25868 6207 1 12 . 1 1 86 86 GLU C C 86 179.163 179.163 177.398 1.765 25868 6208 1 12 . 1 1 86 86 GLU CA C 86 59.196 59.196 56.892 2.304 25868 6209 1 12 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.648 -0.721 25868 6210 1 12 . 1 1 86 86 GLU H H 86 7.965 7.965 7.599 0.366 25868 6211 1 12 . 1 1 87 87 ALA N N 87 122.092 122.092 123.308 -1.216 25868 6212 1 12 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.051 0.148 25868 6213 1 12 . 1 1 87 87 ALA C C 87 178.980 178.980 178.893 0.087 25868 6214 1 12 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.737 -0.068 25868 6215 1 12 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.699 -0.286 25868 6216 1 12 . 1 1 87 87 ALA H H 87 8.108 8.108 7.987 0.121 25868 6217 1 12 . 1 1 88 88 LYS N N 88 118.808 118.808 119.158 -0.350 25868 6218 1 12 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.979 -0.086 25868 6219 1 12 . 1 1 88 88 LYS C C 88 179.341 179.341 178.960 0.381 25868 6220 1 12 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.451 0.552 25868 6221 1 12 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.261 -0.035 25868 6222 1 12 . 1 1 88 88 LYS H H 88 8.501 8.501 7.643 0.858 25868 6223 1 12 . 1 1 89 89 GLU N N 89 119.454 119.454 118.166 1.288 25868 6224 1 12 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.012 -0.017 25868 6225 1 12 . 1 1 89 89 GLU C C 89 179.017 179.017 178.497 0.520 25868 6226 1 12 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.642 0.301 25868 6227 1 12 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.746 0.086 25868 6228 1 12 . 1 1 89 89 GLU H H 89 7.544 7.544 8.210 -0.666 25868 6229 1 12 . 1 1 90 90 MET N N 90 119.262 119.262 118.205 1.057 25868 6230 1 12 . 1 1 90 90 MET HA H 90 3.284 3.284 3.755 -0.471 25868 6231 1 12 . 1 1 90 90 MET C C 90 177.003 177.003 178.124 -1.121 25868 6232 1 12 . 1 1 90 90 MET CA C 90 59.168 59.168 58.398 0.770 25868 6233 1 12 . 1 1 90 90 MET CB C 90 33.468 33.468 31.672 1.796 25868 6234 1 12 . 1 1 90 90 MET H H 90 7.600 7.600 7.345 0.255 25868 6235 1 12 . 1 1 91 91 ALA N N 91 120.041 120.041 120.153 -0.112 25868 6236 1 12 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.955 -0.087 25868 6237 1 12 . 1 1 91 91 ALA C C 91 179.039 179.039 178.963 0.076 25868 6238 1 12 . 1 1 91 91 ALA CA C 91 55.030 55.030 54.779 0.251 25868 6239 1 12 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.115 -0.031 25868 6240 1 12 . 1 1 91 91 ALA H H 91 8.212 8.212 7.828 0.384 25868 6241 1 12 . 1 1 92 92 LYS N N 92 118.442 118.442 117.714 0.728 25868 6242 1 12 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.244 -0.322 25868 6243 1 12 . 1 1 92 92 LYS C C 92 178.874 178.874 178.795 0.079 25868 6244 1 12 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.163 -0.042 25868 6245 1 12 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.842 0.401 25868 6246 1 12 . 1 1 92 92 LYS H H 92 7.819 7.819 7.452 0.367 25868 6247 1 12 . 1 1 93 93 LYS N N 93 119.228 119.228 119.212 0.016 25868 6248 1 12 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.548 0.029 25868 6249 1 12 . 1 1 93 93 LYS C C 93 176.618 176.618 177.873 -1.255 25868 6250 1 12 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.507 -0.381 25868 6251 1 12 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.537 -0.392 25868 6252 1 12 . 1 1 93 93 LYS H H 93 7.449 7.449 7.323 0.126 25868 6253 1 12 . 1 1 94 94 ALA N N 94 117.825 117.825 120.585 -2.760 25868 6254 1 12 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.935 -0.154 25868 6255 1 12 . 1 1 94 94 ALA C C 94 178.736 178.736 179.667 -0.931 25868 6256 1 12 . 1 1 94 94 ALA CA C 94 54.878 54.878 54.995 -0.117 25868 6257 1 12 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.307 -1.064 25868 6258 1 12 . 1 1 94 94 ALA H H 94 7.698 7.698 7.455 0.243 25868 6259 1 12 . 1 1 95 95 GLU N N 95 115.361 115.361 118.641 -3.280 25868 6260 1 12 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.977 -0.068 25868 6261 1 12 . 1 1 95 95 GLU C C 95 178.984 178.984 179.034 -0.050 25868 6262 1 12 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.396 -0.016 25868 6263 1 12 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.465 0.011 25868 6264 1 12 . 1 1 95 95 GLU H H 95 7.907 7.907 7.526 0.381 25868 6265 1 12 . 1 1 96 96 GLU N N 96 121.608 121.608 119.515 2.093 25868 6266 1 12 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.031 -0.082 25868 6267 1 12 . 1 1 96 96 GLU C C 96 180.249 180.249 179.289 0.960 25868 6268 1 12 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.882 0.315 25868 6269 1 12 . 1 1 96 96 GLU CB C 96 28.880 28.880 28.837 0.043 25868 6270 1 12 . 1 1 96 96 GLU H H 96 7.815 7.815 7.899 -0.084 25868 6271 1 12 . 1 1 97 97 TRP N N 97 122.511 122.511 119.362 3.149 25868 6272 1 12 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.372 0.026 25868 6273 1 12 . 1 1 97 97 TRP C C 97 178.007 178.007 178.655 -0.648 25868 6274 1 12 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.799 -1.063 25868 6275 1 12 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.121 -0.143 25868 6276 1 12 . 1 1 97 97 TRP H H 97 8.069 8.069 8.161 -0.092 25868 6277 1 12 . 1 1 98 98 LEU N N 98 119.235 119.235 121.281 -2.046 25868 6278 1 12 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.012 0.071 25868 6279 1 12 . 1 1 98 98 LEU C C 98 178.599 178.599 178.902 -0.303 25868 6280 1 12 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.344 -0.690 25868 6281 1 12 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.750 0.215 25868 6282 1 12 . 1 1 98 98 LEU H H 98 8.077 8.077 7.586 0.491 25868 6283 1 12 . 1 1 99 99 GLN N N 99 117.609 117.609 116.700 0.909 25868 6284 1 12 . 1 1 99 99 GLN HA H 99 4.116 4.116 3.990 0.126 25868 6285 1 12 . 1 1 99 99 GLN C C 99 177.636 177.636 177.935 -0.299 25868 6286 1 12 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.533 -0.813 25868 6287 1 12 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.630 -0.384 25868 6288 1 12 . 1 1 99 99 GLN H H 99 8.077 8.077 8.320 -0.243 25868 6289 1 12 . 1 1 100 100 ALA N N 100 122.106 122.106 121.095 1.011 25868 6290 1 12 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.205 0.100 25868 6291 1 12 . 1 1 100 100 ALA C C 100 179.424 179.424 179.545 -0.121 25868 6292 1 12 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.363 -0.310 25868 6293 1 12 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.987 -0.434 25868 6294 1 12 . 1 1 100 100 ALA H H 100 7.944 7.944 7.535 0.409 25868 6295 1 12 . 1 1 101 101 GLU N N 101 117.817 117.817 116.585 1.232 25868 6296 1 12 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.363 -0.007 25868 6297 1 12 . 1 1 101 101 GLU C C 101 177.415 177.415 177.842 -0.427 25868 6298 1 12 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.432 -0.419 25868 6299 1 12 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.047 0.352 25868 6300 1 12 . 1 1 101 101 GLU H H 101 8.162 8.162 8.078 0.084 25868 6301 1 12 . 1 1 102 102 GLN N N 102 118.194 118.194 119.477 -1.283 25868 6302 1 12 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.448 -0.114 25868 6303 1 12 . 1 1 102 102 GLN C C 102 175.755 175.755 175.147 0.608 25868 6304 1 12 . 1 1 102 102 GLN CA C 102 56.327 56.327 54.555 1.772 25868 6305 1 12 . 1 1 102 102 GLN CB C 102 29.294 29.294 26.741 2.553 25868 6306 1 12 . 1 1 102 102 GLN H H 102 8.094 8.094 7.833 0.261 25868 6307 1 12 . 1 1 103 103 ASN N N 103 119.032 119.032 122.212 -3.180 25868 6308 1 12 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.574 0.216 25868 6309 1 12 . 1 1 103 103 ASN C C 103 173.949 173.949 174.919 -0.970 25868 6310 1 12 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.469 -0.440 25868 6311 1 12 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.049 0.001 25868 6312 1 12 . 1 1 103 103 ASN H H 103 8.149 8.149 7.854 0.295 25868 6313 1 13 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.601 -0.027 25868 6314 1 13 . 1 1 2 2 ASP C C 2 176.630 176.630 175.952 0.678 25868 6315 1 13 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.038 1.004 25868 6316 1 13 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.754 -0.853 25868 6317 1 13 . 1 1 3 3 GLU N N 3 121.683 121.683 122.740 -1.057 25868 6318 1 13 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.871 0.309 25868 6319 1 13 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.548 -1.652 25868 6320 1 13 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.529 -0.121 25868 6321 1 13 . 1 1 3 3 GLU H H 3 8.889 8.889 8.294 0.595 25868 6322 1 13 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.327 0.118 25868 6323 1 13 . 1 1 4 4 ASN C C 4 176.095 176.095 177.324 -1.229 25868 6324 1 13 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.320 -0.675 25868 6325 1 13 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.704 0.102 25868 6326 1 13 . 1 1 5 5 ILE N N 5 119.355 119.355 119.682 -0.327 25868 6327 1 13 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.840 0.037 25868 6328 1 13 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.206 -0.125 25868 6329 1 13 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.742 -0.051 25868 6330 1 13 . 1 1 5 5 ILE H H 5 8.018 8.018 7.884 0.134 25868 6331 1 13 . 1 1 6 6 ALA N N 6 123.430 123.430 121.542 1.888 25868 6332 1 13 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.850 0.399 25868 6333 1 13 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.737 -1.566 25868 6334 1 13 . 1 1 6 6 ALA CB C 6 18.244 18.244 17.960 0.284 25868 6335 1 13 . 1 1 6 6 ALA H H 6 8.041 8.041 7.905 0.136 25868 6336 1 13 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.937 0.093 25868 6337 1 13 . 1 1 7 7 LYS C C 7 178.778 178.778 178.674 0.104 25868 6338 1 13 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.355 -0.601 25868 6339 1 13 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.876 0.137 25868 6340 1 13 . 1 1 8 8 PHE N N 8 120.439 120.439 117.154 3.285 25868 6341 1 13 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.381 0.293 25868 6342 1 13 . 1 1 8 8 PHE C C 8 177.470 177.470 178.548 -1.078 25868 6343 1 13 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.852 -0.697 25868 6344 1 13 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.053 1.223 25868 6345 1 13 . 1 1 8 8 PHE H H 8 7.908 7.908 7.025 0.883 25868 6346 1 13 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.083 0.046 25868 6347 1 13 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.067 0.045 25868 6348 1 13 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.118 0.676 25868 6349 1 13 . 1 1 11 11 ALA N N 11 122.712 122.712 121.450 1.262 25868 6350 1 13 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.221 -0.015 25868 6351 1 13 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.748 0.421 25868 6352 1 13 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.484 -1.223 25868 6353 1 13 . 1 1 11 11 ALA H H 11 7.945 7.945 7.784 0.161 25868 6354 1 13 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.520 -0.399 25868 6355 1 13 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.144 2.022 25868 6356 1 13 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.153 -0.153 25868 6357 1 13 . 1 1 13 13 LYS N N 13 120.452 120.452 126.350 -5.898 25868 6358 1 13 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.547 -0.507 25868 6359 1 13 . 1 1 13 13 LYS CA C 13 57.813 57.813 57.066 0.747 25868 6360 1 13 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.714 -1.387 25868 6361 1 13 . 1 1 13 13 LYS H H 13 8.017 8.017 9.053 -1.036 25868 6362 1 13 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.514 -0.360 25868 6363 1 13 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.486 1.189 25868 6364 1 13 . 1 1 14 14 LYS CB C 14 32.196 32.196 34.318 -2.122 25868 6365 1 13 . 1 1 14 14 LYS H H 14 8.011 8.011 8.157 -0.146 25868 6366 1 13 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.280 -0.008 25868 6367 1 13 . 1 1 15 15 ALA C C 15 179.056 179.056 176.697 2.359 25868 6368 1 13 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.789 1.182 25868 6369 1 13 . 1 1 15 15 ALA CB C 15 18.684 18.684 17.106 1.578 25868 6370 1 13 . 1 1 16 16 GLU N N 16 120.136 120.136 122.701 -2.565 25868 6371 1 13 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.272 -0.057 25868 6372 1 13 . 1 1 16 16 GLU C C 16 179.176 179.176 176.575 2.601 25868 6373 1 13 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.603 0.895 25868 6374 1 13 . 1 1 16 16 GLU CB C 16 29.915 29.915 29.883 0.032 25868 6375 1 13 . 1 1 16 16 GLU H H 16 8.599 8.599 8.384 0.215 25868 6376 1 13 . 1 1 17 17 GLU N N 17 120.683 120.683 120.763 -0.080 25868 6377 1 13 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.253 -0.179 25868 6378 1 13 . 1 1 17 17 GLU CA C 17 58.104 58.104 58.263 -0.159 25868 6379 1 13 . 1 1 17 17 GLU CB C 17 29.718 29.718 30.549 -0.831 25868 6380 1 13 . 1 1 17 17 GLU H H 17 8.009 8.009 8.073 -0.064 25868 6381 1 13 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.673 -0.343 25868 6382 1 13 . 1 1 18 18 LEU CA C 18 54.498 54.498 53.749 0.749 25868 6383 1 13 . 1 1 18 18 LEU CB C 18 41.969 41.969 44.009 -2.040 25868 6384 1 13 . 1 1 18 18 LEU H H 18 7.614 7.614 7.685 -0.071 25868 6385 1 13 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.383 0.026 25868 6386 1 13 . 1 1 19 19 ASN C C 19 174.609 174.609 175.858 -1.249 25868 6387 1 13 . 1 1 19 19 ASN CA C 19 53.676 53.676 55.274 -1.598 25868 6388 1 13 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.846 -0.021 25868 6389 1 13 . 1 1 20 20 GLN N N 20 118.736 118.736 116.631 2.105 25868 6390 1 13 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.018 0.442 25868 6391 1 13 . 1 1 20 20 GLN C C 20 176.659 176.659 175.476 1.183 25868 6392 1 13 . 1 1 20 20 GLN CA C 20 54.688 54.688 56.499 -1.811 25868 6393 1 13 . 1 1 20 20 GLN CB C 20 28.164 28.164 28.354 -0.190 25868 6394 1 13 . 1 1 20 20 GLN H H 20 8.340 8.340 8.510 -0.170 25868 6395 1 13 . 1 1 21 21 GLY N N 21 111.864 111.864 105.037 6.827 25868 6396 1 13 . 1 1 21 21 GLY CA C 21 47.053 47.053 44.363 2.690 25868 6397 1 13 . 1 1 21 21 GLY H H 21 8.455 8.455 8.111 0.344 25868 6398 1 13 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.023 0.240 25868 6399 1 13 . 1 1 23 23 LEU C C 23 179.620 179.620 177.363 2.257 25868 6400 1 13 . 1 1 23 23 LEU CA C 23 56.394 56.394 57.253 -0.859 25868 6401 1 13 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.031 -0.480 25868 6402 1 13 . 1 1 24 24 MET N N 24 120.657 120.657 114.752 5.905 25868 6403 1 13 . 1 1 24 24 MET HA H 24 4.077 4.077 4.300 -0.223 25868 6404 1 13 . 1 1 24 24 MET CB C 24 34.035 34.035 33.690 0.345 25868 6405 1 13 . 1 1 24 24 MET H H 24 8.219 8.219 7.313 0.906 25868 6406 1 13 . 1 1 25 25 GLY N N 25 106.956 106.956 106.421 0.535 25868 6407 1 13 . 1 1 25 25 GLY C C 25 175.016 175.016 175.899 -0.883 25868 6408 1 13 . 1 1 25 25 GLY CA C 25 47.771 47.771 45.658 2.113 25868 6409 1 13 . 1 1 25 25 GLY H H 25 8.589 8.589 8.124 0.465 25868 6410 1 13 . 1 1 26 26 ARG N N 26 119.970 119.970 123.306 -3.336 25868 6411 1 13 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.403 -0.187 25868 6412 1 13 . 1 1 26 26 ARG C C 26 177.966 177.966 177.701 0.265 25868 6413 1 13 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.298 0.429 25868 6414 1 13 . 1 1 26 26 ARG CB C 26 30.263 30.263 29.906 0.357 25868 6415 1 13 . 1 1 26 26 ARG H H 26 8.297 8.297 8.306 -0.009 25868 6416 1 13 . 1 1 27 27 ALA N N 27 121.499 121.499 121.997 -0.498 25868 6417 1 13 . 1 1 27 27 ALA HA H 27 4.264 4.264 3.917 0.347 25868 6418 1 13 . 1 1 27 27 ALA C C 27 179.878 179.878 179.795 0.083 25868 6419 1 13 . 1 1 27 27 ALA CA C 27 55.700 55.700 55.008 0.692 25868 6420 1 13 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.036 0.287 25868 6421 1 13 . 1 1 27 27 ALA H H 27 7.816 7.816 8.477 -0.661 25868 6422 1 13 . 1 1 28 28 LEU N N 28 117.285 117.285 118.410 -1.125 25868 6423 1 13 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.928 0.099 25868 6424 1 13 . 1 1 28 28 LEU C C 28 178.158 178.158 178.912 -0.754 25868 6425 1 13 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.633 0.461 25868 6426 1 13 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.819 0.435 25868 6427 1 13 . 1 1 28 28 LEU H H 28 8.066 8.066 8.117 -0.051 25868 6428 1 13 . 1 1 29 29 TYR N N 29 119.594 119.594 120.502 -0.908 25868 6429 1 13 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.348 -0.354 25868 6430 1 13 . 1 1 29 29 TYR C C 29 176.382 176.382 177.830 -1.448 25868 6431 1 13 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.949 0.718 25868 6432 1 13 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.500 0.410 25868 6433 1 13 . 1 1 29 29 TYR H H 29 8.568 8.568 8.382 0.186 25868 6434 1 13 . 1 1 30 30 ASN N N 30 116.978 116.978 117.010 -0.032 25868 6435 1 13 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.214 0.047 25868 6436 1 13 . 1 1 30 30 ASN C C 30 178.521 178.521 177.289 1.232 25868 6437 1 13 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.621 -0.697 25868 6438 1 13 . 1 1 30 30 ASN CB C 30 36.463 36.463 37.917 -1.454 25868 6439 1 13 . 1 1 30 30 ASN H H 30 8.290 8.290 7.860 0.430 25868 6440 1 13 . 1 1 31 31 ILE N N 31 122.107 122.107 120.366 1.741 25868 6441 1 13 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.659 -0.302 25868 6442 1 13 . 1 1 31 31 ILE C C 31 178.007 178.007 177.426 0.581 25868 6443 1 13 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.019 1.178 25868 6444 1 13 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.248 0.438 25868 6445 1 13 . 1 1 31 31 ILE H H 31 8.006 8.006 7.607 0.399 25868 6446 1 13 . 1 1 32 32 GLY N N 32 107.810 107.810 108.004 -0.194 25868 6447 1 13 . 1 1 32 32 GLY C C 32 175.187 175.187 175.701 -0.514 25868 6448 1 13 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.903 1.617 25868 6449 1 13 . 1 1 32 32 GLY H H 32 7.880 7.880 7.897 -0.017 25868 6450 1 13 . 1 1 33 33 LEU N N 33 120.587 120.587 121.599 -1.012 25868 6451 1 13 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.993 0.063 25868 6452 1 13 . 1 1 33 33 LEU C C 33 180.635 180.635 179.331 1.304 25868 6453 1 13 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.562 0.589 25868 6454 1 13 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.512 0.165 25868 6455 1 13 . 1 1 33 33 LEU H H 33 8.117 8.117 7.686 0.431 25868 6456 1 13 . 1 1 34 34 GLU N N 34 120.332 120.332 118.477 1.855 25868 6457 1 13 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.142 -0.169 25868 6458 1 13 . 1 1 34 34 GLU C C 34 179.479 179.479 179.323 0.156 25868 6459 1 13 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.017 -0.156 25868 6460 1 13 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.064 0.086 25868 6461 1 13 . 1 1 34 34 GLU H H 34 7.763 7.763 7.703 0.060 25868 6462 1 13 . 1 1 35 35 LYS N N 35 118.642 118.642 118.836 -0.194 25868 6463 1 13 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.042 -0.129 25868 6464 1 13 . 1 1 35 35 LYS C C 35 179.149 179.149 178.279 0.870 25868 6465 1 13 . 1 1 35 35 LYS CA C 35 57.842 57.842 59.513 -1.671 25868 6466 1 13 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.363 -1.649 25868 6467 1 13 . 1 1 35 35 LYS H H 35 8.573 8.573 7.907 0.666 25868 6468 1 13 . 1 1 36 36 ASN N N 36 119.047 119.047 117.687 1.360 25868 6469 1 13 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.493 -0.185 25868 6470 1 13 . 1 1 36 36 ASN C C 36 179.782 179.782 177.071 2.711 25868 6471 1 13 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.490 0.169 25868 6472 1 13 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.437 -0.245 25868 6473 1 13 . 1 1 36 36 ASN H H 36 8.348 8.348 8.231 0.117 25868 6474 1 13 . 1 1 37 37 LYS N N 37 121.477 121.477 119.563 1.914 25868 6475 1 13 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.132 -0.048 25868 6476 1 13 . 1 1 37 37 LYS C C 37 177.938 177.938 178.178 -0.240 25868 6477 1 13 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.757 0.533 25868 6478 1 13 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.535 -0.326 25868 6479 1 13 . 1 1 37 37 LYS H H 37 7.956 7.956 7.674 0.282 25868 6480 1 13 . 1 1 38 38 MET N N 38 114.976 114.976 116.580 -1.604 25868 6481 1 13 . 1 1 38 38 MET HA H 38 4.519 4.519 4.499 0.020 25868 6482 1 13 . 1 1 38 38 MET C C 38 175.847 175.847 176.264 -0.417 25868 6483 1 13 . 1 1 38 38 MET CA C 38 55.264 55.264 55.430 -0.166 25868 6484 1 13 . 1 1 38 38 MET CB C 38 33.388 33.388 33.131 0.257 25868 6485 1 13 . 1 1 38 38 MET H H 38 7.394 7.394 7.666 -0.272 25868 6486 1 13 . 1 1 39 39 GLY N N 39 107.575 107.575 108.024 -0.449 25868 6487 1 13 . 1 1 39 39 GLY C C 39 174.994 174.994 174.702 0.292 25868 6488 1 13 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.422 0.329 25868 6489 1 13 . 1 1 39 39 GLY H H 39 7.906 7.906 7.650 0.256 25868 6490 1 13 . 1 1 40 40 LYS N N 40 122.563 122.563 123.137 -0.574 25868 6491 1 13 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.389 0.347 25868 6492 1 13 . 1 1 40 40 LYS C C 40 175.847 175.847 175.524 0.323 25868 6493 1 13 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.768 -1.388 25868 6494 1 13 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.944 -0.522 25868 6495 1 13 . 1 1 40 40 LYS H H 40 7.958 7.958 8.044 -0.086 25868 6496 1 13 . 1 1 41 41 ALA N N 41 123.662 123.662 124.852 -1.190 25868 6497 1 13 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.188 -0.053 25868 6498 1 13 . 1 1 41 41 ALA C C 41 178.736 178.736 178.623 0.113 25868 6499 1 13 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.392 1.337 25868 6500 1 13 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.978 0.988 25868 6501 1 13 . 1 1 41 41 ALA H H 41 7.487 7.487 8.104 -0.617 25868 6502 1 13 . 1 1 42 42 ARG N N 42 118.612 118.612 120.309 -1.697 25868 6503 1 13 . 1 1 42 42 ARG HA H 42 4.000 4.000 3.991 0.009 25868 6504 1 13 . 1 1 42 42 ARG C C 42 178.901 178.901 178.010 0.891 25868 6505 1 13 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.537 -0.740 25868 6506 1 13 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.863 -0.989 25868 6507 1 13 . 1 1 42 42 ARG H H 42 8.864 8.864 8.428 0.436 25868 6508 1 13 . 1 1 43 43 GLU N N 43 120.194 120.194 119.482 0.712 25868 6509 1 13 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.910 0.213 25868 6510 1 13 . 1 1 43 43 GLU C C 43 178.901 178.901 178.701 0.200 25868 6511 1 13 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.208 0.230 25868 6512 1 13 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.222 0.712 25868 6513 1 13 . 1 1 43 43 GLU H H 43 8.062 8.062 8.398 -0.336 25868 6514 1 13 . 1 1 44 44 ALA N N 44 121.369 121.369 121.875 -0.506 25868 6515 1 13 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.809 -0.236 25868 6516 1 13 . 1 1 44 44 ALA C C 44 177.911 177.911 178.912 -1.001 25868 6517 1 13 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.038 0.724 25868 6518 1 13 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.178 0.370 25868 6519 1 13 . 1 1 44 44 ALA H H 44 8.627 8.627 7.630 0.997 25868 6520 1 13 . 1 1 45 45 ALA N N 45 117.108 117.108 120.562 -3.454 25868 6521 1 13 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.146 -0.061 25868 6522 1 13 . 1 1 45 45 ALA C C 45 178.078 178.078 179.254 -1.176 25868 6523 1 13 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.054 0.522 25868 6524 1 13 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.237 -0.797 25868 6525 1 13 . 1 1 45 45 ALA H H 45 8.310 8.310 7.692 0.618 25868 6526 1 13 . 1 1 46 46 GLU N N 46 115.941 115.941 119.785 -3.844 25868 6527 1 13 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.073 -0.154 25868 6528 1 13 . 1 1 46 46 GLU C C 46 179.341 179.341 178.872 0.469 25868 6529 1 13 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.107 0.650 25868 6530 1 13 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.546 -0.409 25868 6531 1 13 . 1 1 46 46 GLU H H 46 7.451 7.451 7.574 -0.123 25868 6532 1 13 . 1 1 47 47 TYR N N 47 117.925 117.925 118.602 -0.677 25868 6533 1 13 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.270 -0.425 25868 6534 1 13 . 1 1 47 47 TYR C C 47 178.544 178.544 178.564 -0.020 25868 6535 1 13 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.934 3.729 25868 6536 1 13 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.095 -0.781 25868 6537 1 13 . 1 1 47 47 TYR H H 47 7.746 7.746 7.492 0.254 25868 6538 1 13 . 1 1 48 48 PHE N N 48 118.758 118.758 119.006 -0.248 25868 6539 1 13 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.420 0.328 25868 6540 1 13 . 1 1 48 48 PHE C C 48 178.227 178.227 178.095 0.132 25868 6541 1 13 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.209 -0.656 25868 6542 1 13 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.167 -0.018 25868 6543 1 13 . 1 1 48 48 PHE H H 48 9.054 9.054 8.142 0.912 25868 6544 1 13 . 1 1 49 49 PHE N N 49 120.234 120.234 121.609 -1.375 25868 6545 1 13 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.286 0.212 25868 6546 1 13 . 1 1 49 49 PHE C C 49 176.645 176.645 177.431 -0.786 25868 6547 1 13 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.691 -0.470 25868 6548 1 13 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.210 1.079 25868 6549 1 13 . 1 1 49 49 PHE H H 49 8.981 8.981 8.367 0.614 25868 6550 1 13 . 1 1 50 50 ARG N N 50 117.925 117.925 118.429 -0.504 25868 6551 1 13 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.799 -0.019 25868 6552 1 13 . 1 1 50 50 ARG C C 50 179.369 179.369 178.636 0.733 25868 6553 1 13 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.448 0.381 25868 6554 1 13 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.972 0.551 25868 6555 1 13 . 1 1 50 50 ARG H H 50 8.450 8.450 8.458 -0.008 25868 6556 1 13 . 1 1 51 51 ALA N N 51 120.897 120.897 122.048 -1.151 25868 6557 1 13 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.175 -0.459 25868 6558 1 13 . 1 1 51 51 ALA C C 51 177.085 177.085 179.347 -2.262 25868 6559 1 13 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.070 0.028 25868 6560 1 13 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.544 -1.278 25868 6561 1 13 . 1 1 51 51 ALA H H 51 8.697 8.697 7.974 0.723 25868 6562 1 13 . 1 1 52 52 ALA N N 52 120.007 120.007 120.748 -0.741 25868 6563 1 13 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.264 -0.195 25868 6564 1 13 . 1 1 52 52 ALA C C 52 178.067 178.067 179.741 -1.674 25868 6565 1 13 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.047 1.061 25868 6566 1 13 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.711 -1.458 25868 6567 1 13 . 1 1 52 52 ALA H H 52 8.483 8.483 7.962 0.521 25868 6568 1 13 . 1 1 53 53 ILE N N 53 116.864 116.864 118.440 -1.576 25868 6569 1 13 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.065 0.118 25868 6570 1 13 . 1 1 53 53 ILE C C 53 178.323 178.323 177.442 0.881 25868 6571 1 13 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.111 0.654 25868 6572 1 13 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.447 1.029 25868 6573 1 13 . 1 1 53 53 ILE H H 53 8.033 8.033 7.725 0.308 25868 6574 1 13 . 1 1 54 54 VAL N N 54 119.604 119.604 119.714 -0.110 25868 6575 1 13 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.553 -0.062 25868 6576 1 13 . 1 1 54 54 VAL C C 54 178.200 178.200 177.985 0.215 25868 6577 1 13 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.323 0.053 25868 6578 1 13 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.251 0.157 25868 6579 1 13 . 1 1 54 54 VAL H H 54 7.126 7.126 7.329 -0.203 25868 6580 1 13 . 1 1 55 55 PHE N N 55 118.386 118.386 117.938 0.448 25868 6581 1 13 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.160 0.376 25868 6582 1 13 . 1 1 55 55 PHE C C 55 178.571 178.571 177.570 1.001 25868 6583 1 13 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.081 -1.594 25868 6584 1 13 . 1 1 55 55 PHE CB C 55 38.157 38.157 38.193 -0.036 25868 6585 1 13 . 1 1 55 55 PHE H H 55 9.061 9.061 7.792 1.269 25868 6586 1 13 . 1 1 56 56 TYR N N 56 119.488 119.488 121.152 -1.664 25868 6587 1 13 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.899 0.452 25868 6588 1 13 . 1 1 56 56 TYR C C 56 178.871 178.871 176.951 1.920 25868 6589 1 13 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.227 -1.733 25868 6590 1 13 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.211 -0.407 25868 6591 1 13 . 1 1 56 56 TYR H H 56 8.975 8.975 7.883 1.092 25868 6592 1 13 . 1 1 57 57 LYS N N 57 121.083 121.083 116.748 4.335 25868 6593 1 13 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.599 -0.136 25868 6594 1 13 . 1 1 57 57 LYS C C 57 178.103 178.103 177.885 0.218 25868 6595 1 13 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.328 0.517 25868 6596 1 13 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.924 -0.199 25868 6597 1 13 . 1 1 57 57 LYS H H 57 7.753 7.753 7.413 0.340 25868 6598 1 13 . 1 1 58 58 GLU N N 58 114.098 114.098 116.205 -2.107 25868 6599 1 13 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.232 -0.075 25868 6600 1 13 . 1 1 58 58 GLU C C 58 175.655 175.655 176.287 -0.632 25868 6601 1 13 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.955 -0.821 25868 6602 1 13 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.860 -0.220 25868 6603 1 13 . 1 1 58 58 GLU H H 58 7.849 7.849 7.529 0.320 25868 6604 1 13 . 1 1 59 59 HIS N N 59 115.781 115.781 113.082 2.699 25868 6605 1 13 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.287 -0.077 25868 6606 1 13 . 1 1 59 59 HIS C C 59 173.784 173.784 174.507 -0.723 25868 6607 1 13 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.917 -0.506 25868 6608 1 13 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.984 -1.146 25868 6609 1 13 . 1 1 59 59 HIS H H 59 7.659 7.659 7.118 0.541 25868 6610 1 13 . 1 1 60 60 ASP N N 60 118.780 118.780 120.085 -1.305 25868 6611 1 13 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.695 0.164 25868 6612 1 13 . 1 1 60 60 ASP C C 60 175.847 175.847 176.598 -0.751 25868 6613 1 13 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.343 -1.540 25868 6614 1 13 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.588 -0.457 25868 6615 1 13 . 1 1 60 60 ASP H H 60 8.660 8.660 8.102 0.558 25868 6616 1 13 . 1 1 61 61 THR N N 61 118.884 118.884 118.895 -0.011 25868 6617 1 13 . 1 1 61 61 THR HA H 61 3.763 3.763 4.019 -0.256 25868 6618 1 13 . 1 1 61 61 THR C C 61 175.886 175.886 176.209 -0.323 25868 6619 1 13 . 1 1 61 61 THR CA C 61 66.159 66.159 65.778 0.382 25868 6620 1 13 . 1 1 61 61 THR CB C 61 68.168 68.168 68.787 -0.619 25868 6621 1 13 . 1 1 61 61 THR H H 61 7.955 7.955 8.092 -0.137 25868 6622 1 13 . 1 1 62 62 ASP N N 62 121.668 121.668 121.646 0.022 25868 6623 1 13 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.308 -0.046 25868 6624 1 13 . 1 1 62 62 ASP C C 62 178.461 178.461 177.945 0.516 25868 6625 1 13 . 1 1 62 62 ASP CA C 62 57.449 57.449 56.969 0.480 25868 6626 1 13 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.384 0.551 25868 6627 1 13 . 1 1 62 62 ASP H H 62 8.298 8.298 8.059 0.239 25868 6628 1 13 . 1 1 63 63 GLY N N 63 109.003 109.003 107.043 1.960 25868 6629 1 13 . 1 1 63 63 GLY C C 63 175.517 175.517 175.842 -0.325 25868 6630 1 13 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.055 0.004 25868 6631 1 13 . 1 1 63 63 GLY H H 63 8.018 8.018 7.867 0.151 25868 6632 1 13 . 1 1 64 64 LEU N N 64 122.504 122.504 122.986 -0.482 25868 6633 1 13 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.211 -0.129 25868 6634 1 13 . 1 1 64 64 LEU C C 64 177.333 177.333 178.213 -0.880 25868 6635 1 13 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.618 0.875 25868 6636 1 13 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.952 0.155 25868 6637 1 13 . 1 1 64 64 LEU H H 64 8.073 8.073 7.809 0.264 25868 6638 1 13 . 1 1 65 65 ARG N N 65 118.626 118.626 118.476 0.150 25868 6639 1 13 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.971 -0.079 25868 6640 1 13 . 1 1 65 65 ARG C C 65 179.045 179.045 178.411 0.634 25868 6641 1 13 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.370 0.485 25868 6642 1 13 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.017 -0.082 25868 6643 1 13 . 1 1 65 65 ARG H H 65 8.491 8.491 7.839 0.652 25868 6644 1 13 . 1 1 66 66 ARG N N 66 119.009 119.009 119.025 -0.016 25868 6645 1 13 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.954 0.013 25868 6646 1 13 . 1 1 66 66 ARG C C 66 178.943 178.943 178.286 0.657 25868 6647 1 13 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.215 0.998 25868 6648 1 13 . 1 1 66 66 ARG CB C 66 29.551 29.551 28.901 0.650 25868 6649 1 13 . 1 1 66 66 ARG H H 66 7.601 7.601 8.062 -0.461 25868 6650 1 13 . 1 1 67 67 ALA N N 67 122.174 122.174 121.228 0.946 25868 6651 1 13 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.306 -0.129 25868 6652 1 13 . 1 1 67 67 ALA C C 67 178.654 178.654 179.728 -1.074 25868 6653 1 13 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.917 1.177 25868 6654 1 13 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.313 -0.434 25868 6655 1 13 . 1 1 67 67 ALA H H 67 8.681 8.681 7.905 0.776 25868 6656 1 13 . 1 1 68 68 ALA N N 68 119.208 119.208 120.892 -1.684 25868 6657 1 13 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.015 -0.064 25868 6658 1 13 . 1 1 68 68 ALA C C 68 179.562 179.562 179.276 0.286 25868 6659 1 13 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.087 0.478 25868 6660 1 13 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.244 -0.403 25868 6661 1 13 . 1 1 68 68 ALA H H 68 9.060 9.060 8.015 1.045 25868 6662 1 13 . 1 1 69 69 LYS N N 69 119.434 119.434 118.642 0.792 25868 6663 1 13 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.101 -0.111 25868 6664 1 13 . 1 1 69 69 LYS C C 69 178.929 178.929 178.758 0.171 25868 6665 1 13 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.861 0.674 25868 6666 1 13 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.324 -0.214 25868 6667 1 13 . 1 1 69 69 LYS H H 69 7.997 7.997 7.994 0.003 25868 6668 1 13 . 1 1 70 70 SER N N 70 116.406 116.406 115.695 0.711 25868 6669 1 13 . 1 1 70 70 SER HA H 70 3.908 3.908 4.362 -0.454 25868 6670 1 13 . 1 1 70 70 SER C C 70 175.957 175.957 176.807 -0.850 25868 6671 1 13 . 1 1 70 70 SER CA C 70 62.776 62.776 60.406 2.370 25868 6672 1 13 . 1 1 70 70 SER CB C 70 60.389 60.389 62.104 -1.715 25868 6673 1 13 . 1 1 70 70 SER H H 70 8.105 8.105 7.834 0.271 25868 6674 1 13 . 1 1 71 71 LEU N N 71 123.712 123.712 123.497 0.215 25868 6675 1 13 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.056 0.025 25868 6676 1 13 . 1 1 71 71 LEU C C 71 176.893 176.893 178.554 -1.661 25868 6677 1 13 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.239 0.739 25868 6678 1 13 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.855 0.589 25868 6679 1 13 . 1 1 71 71 LEU H H 71 8.315 8.315 8.036 0.279 25868 6680 1 13 . 1 1 72 72 LYS N N 72 117.431 117.431 118.886 -1.455 25868 6681 1 13 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.889 -0.027 25868 6682 1 13 . 1 1 72 72 LYS C C 72 179.617 179.617 178.932 0.685 25868 6683 1 13 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.693 -0.152 25868 6684 1 13 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.236 -0.246 25868 6685 1 13 . 1 1 72 72 LYS H H 72 7.785 7.785 7.553 0.232 25868 6686 1 13 . 1 1 73 73 GLU N N 73 117.402 117.402 118.343 -0.941 25868 6687 1 13 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.119 -0.100 25868 6688 1 13 . 1 1 73 73 GLU C C 73 178.475 178.475 178.978 -0.503 25868 6689 1 13 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.663 -0.018 25868 6690 1 13 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.502 -0.093 25868 6691 1 13 . 1 1 73 73 GLU H H 73 7.920 7.920 7.635 0.285 25868 6692 1 13 . 1 1 74 74 ALA N N 74 122.211 122.211 122.667 -0.456 25868 6693 1 13 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.187 0.132 25868 6694 1 13 . 1 1 74 74 ALA C C 74 178.839 178.839 179.280 -0.441 25868 6695 1 13 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.908 -0.530 25868 6696 1 13 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.734 -1.204 25868 6697 1 13 . 1 1 74 74 ALA H H 74 8.010 8.010 7.899 0.111 25868 6698 1 13 . 1 1 75 75 ILE N N 75 113.486 113.486 118.144 -4.658 25868 6699 1 13 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.808 -0.393 25868 6700 1 13 . 1 1 75 75 ILE C C 75 177.333 177.333 178.694 -1.361 25868 6701 1 13 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.158 2.656 25868 6702 1 13 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.598 1.599 25868 6703 1 13 . 1 1 75 75 ILE H H 75 7.405 7.405 7.796 -0.391 25868 6704 1 13 . 1 1 76 76 THR N N 76 105.977 105.977 114.362 -8.385 25868 6705 1 13 . 1 1 76 76 THR HA H 76 3.963 3.963 4.040 -0.077 25868 6706 1 13 . 1 1 76 76 THR C C 76 174.609 174.609 175.427 -0.818 25868 6707 1 13 . 1 1 76 76 THR CA C 76 63.773 63.773 64.682 -0.909 25868 6708 1 13 . 1 1 76 76 THR CB C 76 68.757 68.757 68.659 0.098 25868 6709 1 13 . 1 1 76 76 THR H H 76 7.217 7.217 7.576 -0.359 25868 6710 1 13 . 1 1 77 77 ALA N N 77 122.534 122.534 122.119 0.415 25868 6711 1 13 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.451 -0.034 25868 6712 1 13 . 1 1 77 77 ALA C C 77 177.085 177.085 177.841 -0.756 25868 6713 1 13 . 1 1 77 77 ALA CA C 77 51.628 51.628 52.025 -0.397 25868 6714 1 13 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.566 0.215 25868 6715 1 13 . 1 1 77 77 ALA H H 77 7.486 7.486 7.287 0.199 25868 6716 1 13 . 1 1 78 78 ILE N N 78 123.223 123.223 121.732 1.491 25868 6717 1 13 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.145 0.067 25868 6718 1 13 . 1 1 78 78 ILE C C 78 174.939 174.939 175.256 -0.317 25868 6719 1 13 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.687 0.111 25868 6720 1 13 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.925 1.691 25868 6721 1 13 . 1 1 78 78 ILE H H 78 7.428 7.428 7.280 0.148 25868 6722 1 13 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.325 0.113 25868 6723 1 13 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.815 0.270 25868 6724 1 13 . 1 1 79 79 PRO CB C 79 32.309 32.309 31.774 0.535 25868 6725 1 13 . 1 1 83 83 GLY N N 83 105.726 105.726 107.106 -1.380 25868 6726 1 13 . 1 1 83 83 GLY C C 83 175.765 175.765 175.531 0.234 25868 6727 1 13 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.691 0.800 25868 6728 1 13 . 1 1 83 83 GLY H H 83 7.613 7.613 8.103 -0.490 25868 6729 1 13 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.215 -0.331 25868 6730 1 13 . 1 1 84 84 ARG CA C 84 60.321 60.321 57.499 2.821 25868 6731 1 13 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.448 0.379 25868 6732 1 13 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.590 -0.606 25868 6733 1 13 . 1 1 86 86 GLU C C 86 179.163 179.163 176.643 2.520 25868 6734 1 13 . 1 1 86 86 GLU CA C 86 59.196 59.196 57.133 2.063 25868 6735 1 13 . 1 1 86 86 GLU CB C 86 28.928 28.928 30.093 -1.165 25868 6736 1 13 . 1 1 86 86 GLU H H 86 7.965 7.965 7.870 0.095 25868 6737 1 13 . 1 1 87 87 ALA N N 87 122.092 122.092 123.162 -1.070 25868 6738 1 13 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.053 0.146 25868 6739 1 13 . 1 1 87 87 ALA C C 87 178.980 178.980 178.829 0.151 25868 6740 1 13 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.772 -0.103 25868 6741 1 13 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.870 -0.457 25868 6742 1 13 . 1 1 87 87 ALA H H 87 8.108 8.108 7.724 0.384 25868 6743 1 13 . 1 1 88 88 LYS N N 88 118.808 118.808 119.533 -0.725 25868 6744 1 13 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.953 -0.060 25868 6745 1 13 . 1 1 88 88 LYS C C 88 179.341 179.341 178.385 0.956 25868 6746 1 13 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.614 0.389 25868 6747 1 13 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.249 -0.023 25868 6748 1 13 . 1 1 88 88 LYS H H 88 8.501 8.501 7.719 0.782 25868 6749 1 13 . 1 1 89 89 GLU N N 89 119.454 119.454 118.792 0.662 25868 6750 1 13 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.979 0.016 25868 6751 1 13 . 1 1 89 89 GLU C C 89 179.017 179.017 179.100 -0.083 25868 6752 1 13 . 1 1 89 89 GLU CA C 89 58.943 58.943 59.163 -0.220 25868 6753 1 13 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.096 -0.265 25868 6754 1 13 . 1 1 89 89 GLU H H 89 7.544 7.544 8.445 -0.901 25868 6755 1 13 . 1 1 90 90 MET N N 90 119.262 119.262 118.070 1.192 25868 6756 1 13 . 1 1 90 90 MET HA H 90 3.284 3.284 3.905 -0.621 25868 6757 1 13 . 1 1 90 90 MET C C 90 177.003 177.003 178.166 -1.163 25868 6758 1 13 . 1 1 90 90 MET CA C 90 59.168 59.168 58.489 0.679 25868 6759 1 13 . 1 1 90 90 MET CB C 90 33.468 33.468 32.154 1.314 25868 6760 1 13 . 1 1 90 90 MET H H 90 7.600 7.600 7.295 0.305 25868 6761 1 13 . 1 1 91 91 ALA N N 91 120.041 120.041 122.840 -2.799 25868 6762 1 13 . 1 1 91 91 ALA HA H 91 3.868 3.868 4.007 -0.139 25868 6763 1 13 . 1 1 91 91 ALA C C 91 179.039 179.039 179.579 -0.540 25868 6764 1 13 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.504 -0.474 25868 6765 1 13 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.072 0.012 25868 6766 1 13 . 1 1 91 91 ALA H H 91 8.212 8.212 8.067 0.145 25868 6767 1 13 . 1 1 92 92 LYS N N 92 118.442 118.442 117.205 1.237 25868 6768 1 13 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.034 -0.112 25868 6769 1 13 . 1 1 92 92 LYS C C 92 178.874 178.874 178.865 0.009 25868 6770 1 13 . 1 1 92 92 LYS CA C 92 59.121 59.121 58.199 0.922 25868 6771 1 13 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.765 0.478 25868 6772 1 13 . 1 1 92 92 LYS H H 92 7.819 7.819 7.798 0.021 25868 6773 1 13 . 1 1 93 93 LYS N N 93 119.228 119.228 119.490 -0.262 25868 6774 1 13 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.700 -0.123 25868 6775 1 13 . 1 1 93 93 LYS C C 93 176.618 176.618 178.320 -1.702 25868 6776 1 13 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.796 -0.670 25868 6777 1 13 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.919 -0.774 25868 6778 1 13 . 1 1 93 93 LYS H H 93 7.449 7.449 7.647 -0.198 25868 6779 1 13 . 1 1 94 94 ALA N N 94 117.825 117.825 119.878 -2.053 25868 6780 1 13 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.811 -0.030 25868 6781 1 13 . 1 1 94 94 ALA C C 94 178.736 178.736 179.414 -0.678 25868 6782 1 13 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.130 -0.252 25868 6783 1 13 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.334 -1.091 25868 6784 1 13 . 1 1 94 94 ALA H H 94 7.698 7.698 7.738 -0.040 25868 6785 1 13 . 1 1 95 95 GLU N N 95 115.361 115.361 118.783 -3.422 25868 6786 1 13 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.109 -0.200 25868 6787 1 13 . 1 1 95 95 GLU C C 95 178.984 178.984 179.007 -0.023 25868 6788 1 13 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.054 0.326 25868 6789 1 13 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.412 0.064 25868 6790 1 13 . 1 1 95 95 GLU H H 95 7.907 7.907 7.566 0.341 25868 6791 1 13 . 1 1 96 96 GLU N N 96 121.608 121.608 119.401 2.207 25868 6792 1 13 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.121 -0.172 25868 6793 1 13 . 1 1 96 96 GLU C C 96 180.249 180.249 179.441 0.808 25868 6794 1 13 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.889 0.308 25868 6795 1 13 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.134 -0.254 25868 6796 1 13 . 1 1 96 96 GLU H H 96 7.815 7.815 8.195 -0.380 25868 6797 1 13 . 1 1 97 97 TRP N N 97 122.511 122.511 120.212 2.299 25868 6798 1 13 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.422 -0.024 25868 6799 1 13 . 1 1 97 97 TRP C C 97 178.007 178.007 178.656 -0.649 25868 6800 1 13 . 1 1 97 97 TRP CA C 97 57.736 57.736 59.044 -1.308 25868 6801 1 13 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.304 -0.326 25868 6802 1 13 . 1 1 97 97 TRP H H 97 8.069 8.069 7.759 0.310 25868 6803 1 13 . 1 1 98 98 LEU N N 98 119.235 119.235 121.529 -2.294 25868 6804 1 13 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.068 0.015 25868 6805 1 13 . 1 1 98 98 LEU C C 98 178.599 178.599 178.843 -0.244 25868 6806 1 13 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.511 -0.857 25868 6807 1 13 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.719 0.246 25868 6808 1 13 . 1 1 98 98 LEU H H 98 8.077 8.077 7.843 0.234 25868 6809 1 13 . 1 1 99 99 GLN N N 99 117.609 117.609 116.874 0.735 25868 6810 1 13 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.065 0.051 25868 6811 1 13 . 1 1 99 99 GLN C C 99 177.636 177.636 177.511 0.125 25868 6812 1 13 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.838 -0.118 25868 6813 1 13 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.309 -0.063 25868 6814 1 13 . 1 1 99 99 GLN H H 99 8.077 8.077 8.205 -0.128 25868 6815 1 13 . 1 1 100 100 ALA N N 100 122.106 122.106 121.031 1.075 25868 6816 1 13 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.227 0.078 25868 6817 1 13 . 1 1 100 100 ALA C C 100 179.424 179.424 179.617 -0.193 25868 6818 1 13 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.234 -0.181 25868 6819 1 13 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.178 -0.625 25868 6820 1 13 . 1 1 100 100 ALA H H 100 7.944 7.944 7.666 0.278 25868 6821 1 13 . 1 1 101 101 GLU N N 101 117.817 117.817 117.588 0.229 25868 6822 1 13 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.250 0.106 25868 6823 1 13 . 1 1 101 101 GLU C C 101 177.415 177.415 177.821 -0.406 25868 6824 1 13 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.626 -0.612 25868 6825 1 13 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.095 0.304 25868 6826 1 13 . 1 1 101 101 GLU H H 101 8.162 8.162 8.069 0.093 25868 6827 1 13 . 1 1 102 102 GLN N N 102 118.194 118.194 119.410 -1.216 25868 6828 1 13 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.253 0.081 25868 6829 1 13 . 1 1 102 102 GLN C C 102 175.755 175.755 175.694 0.061 25868 6830 1 13 . 1 1 102 102 GLN CA C 102 56.327 56.327 56.297 0.030 25868 6831 1 13 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.821 1.473 25868 6832 1 13 . 1 1 102 102 GLN H H 102 8.094 8.094 7.962 0.132 25868 6833 1 13 . 1 1 103 103 ASN N N 103 119.032 119.032 123.545 -4.513 25868 6834 1 13 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.740 0.050 25868 6835 1 13 . 1 1 103 103 ASN C C 103 173.949 173.949 174.594 -0.645 25868 6836 1 13 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.288 -0.260 25868 6837 1 13 . 1 1 103 103 ASN CB C 103 39.050 39.050 40.159 -1.109 25868 6838 1 13 . 1 1 103 103 ASN H H 103 8.149 8.149 8.466 -0.317 25868 6839 1 14 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.772 -0.198 25868 6840 1 14 . 1 1 2 2 ASP C C 2 176.630 176.630 175.269 1.361 25868 6841 1 14 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.534 0.508 25868 6842 1 14 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.390 -0.489 25868 6843 1 14 . 1 1 3 3 GLU N N 3 121.683 121.683 120.806 0.877 25868 6844 1 14 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.220 -0.040 25868 6845 1 14 . 1 1 3 3 GLU CA C 3 57.896 57.896 57.376 0.520 25868 6846 1 14 . 1 1 3 3 GLU CB C 3 29.407 29.407 30.614 -1.207 25868 6847 1 14 . 1 1 3 3 GLU H H 3 8.889 8.889 8.427 0.462 25868 6848 1 14 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.263 0.182 25868 6849 1 14 . 1 1 4 4 ASN C C 4 176.095 176.095 177.006 -0.911 25868 6850 1 14 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.543 -0.898 25868 6851 1 14 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.512 0.294 25868 6852 1 14 . 1 1 5 5 ILE N N 5 119.355 119.355 119.823 -0.468 25868 6853 1 14 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.679 0.198 25868 6854 1 14 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.442 -1.361 25868 6855 1 14 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.765 -0.074 25868 6856 1 14 . 1 1 5 5 ILE H H 5 8.018 8.018 8.024 -0.006 25868 6857 1 14 . 1 1 6 6 ALA N N 6 123.430 123.430 121.255 2.175 25868 6858 1 14 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.285 -0.036 25868 6859 1 14 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.764 -0.593 25868 6860 1 14 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.084 0.161 25868 6861 1 14 . 1 1 6 6 ALA H H 6 8.041 8.041 8.171 -0.130 25868 6862 1 14 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.012 0.018 25868 6863 1 14 . 1 1 7 7 LYS C C 7 178.778 178.778 178.851 -0.073 25868 6864 1 14 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.386 0.368 25868 6865 1 14 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.897 0.116 25868 6866 1 14 . 1 1 8 8 PHE N N 8 120.439 120.439 117.563 2.876 25868 6867 1 14 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.333 0.341 25868 6868 1 14 . 1 1 8 8 PHE C C 8 177.470 177.470 178.489 -1.019 25868 6869 1 14 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.961 -0.806 25868 6870 1 14 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.336 0.940 25868 6871 1 14 . 1 1 8 8 PHE H H 8 7.908 7.908 7.350 0.558 25868 6872 1 14 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.127 0.002 25868 6873 1 14 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.643 0.469 25868 6874 1 14 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.267 0.527 25868 6875 1 14 . 1 1 11 11 ALA N N 11 122.712 122.712 120.809 1.903 25868 6876 1 14 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.270 -0.064 25868 6877 1 14 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.526 0.644 25868 6878 1 14 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.393 -1.132 25868 6879 1 14 . 1 1 11 11 ALA H H 11 7.945 7.945 7.570 0.375 25868 6880 1 14 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.400 -0.279 25868 6881 1 14 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.659 0.507 25868 6882 1 14 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.014 -1.014 25868 6883 1 14 . 1 1 13 13 LYS N N 13 120.452 120.452 126.686 -6.234 25868 6884 1 14 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.291 -0.251 25868 6885 1 14 . 1 1 13 13 LYS CA C 13 57.813 57.813 57.645 0.168 25868 6886 1 14 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.005 -0.678 25868 6887 1 14 . 1 1 13 13 LYS H H 13 8.017 8.017 8.496 -0.479 25868 6888 1 14 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.729 -0.575 25868 6889 1 14 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.696 0.979 25868 6890 1 14 . 1 1 14 14 LYS CB C 14 32.196 32.196 35.200 -3.004 25868 6891 1 14 . 1 1 14 14 LYS H H 14 8.011 8.011 8.195 -0.184 25868 6892 1 14 . 1 1 15 15 ALA HA H 15 4.272 4.272 3.855 0.417 25868 6893 1 14 . 1 1 15 15 ALA C C 15 179.056 179.056 177.694 1.362 25868 6894 1 14 . 1 1 15 15 ALA CA C 15 53.971 53.971 54.390 -0.419 25868 6895 1 14 . 1 1 15 15 ALA CB C 15 18.684 18.684 16.948 1.736 25868 6896 1 14 . 1 1 16 16 GLU N N 16 120.136 120.136 118.711 1.425 25868 6897 1 14 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.046 0.169 25868 6898 1 14 . 1 1 16 16 GLU C C 16 179.176 179.176 177.560 1.616 25868 6899 1 14 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.698 0.801 25868 6900 1 14 . 1 1 16 16 GLU CB C 16 29.915 29.915 29.450 0.465 25868 6901 1 14 . 1 1 16 16 GLU H H 16 8.599 8.599 8.185 0.414 25868 6902 1 14 . 1 1 17 17 GLU N N 17 120.683 120.683 119.423 1.260 25868 6903 1 14 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.096 -0.022 25868 6904 1 14 . 1 1 17 17 GLU CA C 17 58.104 58.104 58.020 0.084 25868 6905 1 14 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.678 0.040 25868 6906 1 14 . 1 1 17 17 GLU H H 17 8.009 8.009 8.457 -0.448 25868 6907 1 14 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.550 -0.220 25868 6908 1 14 . 1 1 18 18 LEU CA C 18 54.498 54.498 53.561 0.937 25868 6909 1 14 . 1 1 18 18 LEU CB C 18 41.969 41.969 45.667 -3.698 25868 6910 1 14 . 1 1 18 18 LEU H H 18 7.614 7.614 7.337 0.277 25868 6911 1 14 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.641 -0.232 25868 6912 1 14 . 1 1 19 19 ASN C C 19 174.609 174.609 174.497 0.112 25868 6913 1 14 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.123 -0.448 25868 6914 1 14 . 1 1 19 19 ASN CB C 19 37.825 37.825 38.032 -0.207 25868 6915 1 14 . 1 1 20 20 GLN N N 20 118.736 118.736 121.463 -2.727 25868 6916 1 14 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.563 -0.103 25868 6917 1 14 . 1 1 20 20 GLN C C 20 176.659 176.659 175.457 1.202 25868 6918 1 14 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.442 -0.754 25868 6919 1 14 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.549 -1.385 25868 6920 1 14 . 1 1 20 20 GLN H H 20 8.340 8.340 7.817 0.523 25868 6921 1 14 . 1 1 21 21 GLY N N 21 111.864 111.864 111.139 0.725 25868 6922 1 14 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.568 0.485 25868 6923 1 14 . 1 1 21 21 GLY H H 21 8.455 8.455 8.885 -0.430 25868 6924 1 14 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.169 0.094 25868 6925 1 14 . 1 1 23 23 LEU C C 23 179.620 179.620 178.311 1.309 25868 6926 1 14 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.144 0.251 25868 6927 1 14 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.483 -0.932 25868 6928 1 14 . 1 1 24 24 MET N N 24 120.657 120.657 117.188 3.469 25868 6929 1 14 . 1 1 24 24 MET HA H 24 4.077 4.077 4.424 -0.347 25868 6930 1 14 . 1 1 24 24 MET CB C 24 34.035 34.035 33.102 0.932 25868 6931 1 14 . 1 1 24 24 MET H H 24 8.219 8.219 7.540 0.679 25868 6932 1 14 . 1 1 25 25 GLY N N 25 106.956 106.956 109.393 -2.437 25868 6933 1 14 . 1 1 25 25 GLY C C 25 175.016 175.016 175.637 -0.621 25868 6934 1 14 . 1 1 25 25 GLY CA C 25 47.771 47.771 47.286 0.485 25868 6935 1 14 . 1 1 25 25 GLY H H 25 8.589 8.589 8.364 0.225 25868 6936 1 14 . 1 1 26 26 ARG N N 26 119.970 119.970 120.229 -0.259 25868 6937 1 14 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.415 -0.199 25868 6938 1 14 . 1 1 26 26 ARG C C 26 177.966 177.966 177.843 0.123 25868 6939 1 14 . 1 1 26 26 ARG CA C 26 59.727 59.727 58.798 0.929 25868 6940 1 14 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.053 0.210 25868 6941 1 14 . 1 1 26 26 ARG H H 26 8.297 8.297 8.340 -0.043 25868 6942 1 14 . 1 1 27 27 ALA N N 27 121.499 121.499 123.781 -2.282 25868 6943 1 14 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.102 0.162 25868 6944 1 14 . 1 1 27 27 ALA C C 27 179.878 179.878 179.648 0.230 25868 6945 1 14 . 1 1 27 27 ALA CA C 27 55.700 55.700 55.121 0.579 25868 6946 1 14 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.145 0.178 25868 6947 1 14 . 1 1 27 27 ALA H H 27 7.816 7.816 7.943 -0.127 25868 6948 1 14 . 1 1 28 28 LEU N N 28 117.285 117.285 118.753 -1.468 25868 6949 1 14 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.898 0.129 25868 6950 1 14 . 1 1 28 28 LEU C C 28 178.158 178.158 178.664 -0.506 25868 6951 1 14 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.625 0.469 25868 6952 1 14 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.792 0.462 25868 6953 1 14 . 1 1 28 28 LEU H H 28 8.066 8.066 7.826 0.240 25868 6954 1 14 . 1 1 29 29 TYR N N 29 119.594 119.594 119.814 -0.220 25868 6955 1 14 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.391 -0.397 25868 6956 1 14 . 1 1 29 29 TYR C C 29 176.382 176.382 177.794 -1.412 25868 6957 1 14 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.651 1.016 25868 6958 1 14 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.515 0.395 25868 6959 1 14 . 1 1 29 29 TYR H H 29 8.568 8.568 7.775 0.793 25868 6960 1 14 . 1 1 30 30 ASN N N 30 116.978 116.978 117.255 -0.277 25868 6961 1 14 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.311 -0.050 25868 6962 1 14 . 1 1 30 30 ASN C C 30 178.521 178.521 177.571 0.950 25868 6963 1 14 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.645 -0.721 25868 6964 1 14 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.385 -1.922 25868 6965 1 14 . 1 1 30 30 ASN H H 30 8.290 8.290 7.980 0.310 25868 6966 1 14 . 1 1 31 31 ILE N N 31 122.107 122.107 119.749 2.358 25868 6967 1 14 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.677 -0.320 25868 6968 1 14 . 1 1 31 31 ILE C C 31 178.007 178.007 177.363 0.644 25868 6969 1 14 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.853 1.343 25868 6970 1 14 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.169 0.517 25868 6971 1 14 . 1 1 31 31 ILE H H 31 8.006 8.006 7.585 0.421 25868 6972 1 14 . 1 1 32 32 GLY N N 32 107.810 107.810 108.197 -0.387 25868 6973 1 14 . 1 1 32 32 GLY C C 32 175.187 175.187 175.472 -0.285 25868 6974 1 14 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.724 1.796 25868 6975 1 14 . 1 1 32 32 GLY H H 32 7.880 7.880 7.817 0.063 25868 6976 1 14 . 1 1 33 33 LEU N N 33 120.587 120.587 121.790 -1.203 25868 6977 1 14 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.008 0.048 25868 6978 1 14 . 1 1 33 33 LEU C C 33 180.635 180.635 179.371 1.264 25868 6979 1 14 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.622 0.529 25868 6980 1 14 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.508 0.169 25868 6981 1 14 . 1 1 33 33 LEU H H 33 8.117 8.117 7.926 0.191 25868 6982 1 14 . 1 1 34 34 GLU N N 34 120.332 120.332 119.068 1.264 25868 6983 1 14 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.033 -0.060 25868 6984 1 14 . 1 1 34 34 GLU C C 34 179.479 179.479 179.317 0.162 25868 6985 1 14 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.357 -0.495 25868 6986 1 14 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.051 0.100 25868 6987 1 14 . 1 1 34 34 GLU H H 34 7.763 7.763 7.823 -0.060 25868 6988 1 14 . 1 1 35 35 LYS N N 35 118.642 118.642 118.426 0.216 25868 6989 1 14 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.968 -0.055 25868 6990 1 14 . 1 1 35 35 LYS C C 35 179.149 179.149 178.675 0.474 25868 6991 1 14 . 1 1 35 35 LYS CA C 35 57.842 57.842 59.550 -1.708 25868 6992 1 14 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.322 -1.608 25868 6993 1 14 . 1 1 35 35 LYS H H 35 8.573 8.573 7.445 1.128 25868 6994 1 14 . 1 1 36 36 ASN N N 36 119.047 119.047 117.720 1.327 25868 6995 1 14 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.505 -0.197 25868 6996 1 14 . 1 1 36 36 ASN C C 36 179.782 179.782 177.904 1.878 25868 6997 1 14 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.995 -0.336 25868 6998 1 14 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.415 -0.223 25868 6999 1 14 . 1 1 36 36 ASN H H 36 8.348 8.348 8.373 -0.025 25868 7000 1 14 . 1 1 37 37 LYS N N 37 121.477 121.477 120.484 0.993 25868 7001 1 14 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.176 -0.092 25868 7002 1 14 . 1 1 37 37 LYS C C 37 177.938 177.938 178.023 -0.085 25868 7003 1 14 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.862 0.428 25868 7004 1 14 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.448 -0.239 25868 7005 1 14 . 1 1 37 37 LYS H H 37 7.956 7.956 7.838 0.118 25868 7006 1 14 . 1 1 38 38 MET N N 38 114.976 114.976 115.609 -0.633 25868 7007 1 14 . 1 1 38 38 MET HA H 38 4.519 4.519 4.467 0.052 25868 7008 1 14 . 1 1 38 38 MET C C 38 175.847 175.847 176.318 -0.471 25868 7009 1 14 . 1 1 38 38 MET CA C 38 55.264 55.264 55.549 -0.285 25868 7010 1 14 . 1 1 38 38 MET CB C 38 33.388 33.388 33.152 0.236 25868 7011 1 14 . 1 1 38 38 MET H H 38 7.394 7.394 7.540 -0.146 25868 7012 1 14 . 1 1 39 39 GLY N N 39 107.575 107.575 106.769 0.806 25868 7013 1 14 . 1 1 39 39 GLY C C 39 174.994 174.994 175.091 -0.097 25868 7014 1 14 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.304 0.447 25868 7015 1 14 . 1 1 39 39 GLY H H 39 7.906 7.906 7.767 0.139 25868 7016 1 14 . 1 1 40 40 LYS N N 40 122.563 122.563 122.688 -0.125 25868 7017 1 14 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.288 0.448 25868 7018 1 14 . 1 1 40 40 LYS C C 40 175.847 175.847 175.455 0.392 25868 7019 1 14 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.258 -1.878 25868 7020 1 14 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.625 -0.203 25868 7021 1 14 . 1 1 40 40 LYS H H 40 7.958 7.958 8.088 -0.130 25868 7022 1 14 . 1 1 41 41 ALA N N 41 123.662 123.662 123.921 -0.259 25868 7023 1 14 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.234 -0.099 25868 7024 1 14 . 1 1 41 41 ALA C C 41 178.736 178.736 178.643 0.093 25868 7025 1 14 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.684 1.045 25868 7026 1 14 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.975 0.991 25868 7027 1 14 . 1 1 41 41 ALA H H 41 7.487 7.487 8.114 -0.627 25868 7028 1 14 . 1 1 42 42 ARG N N 42 118.612 118.612 118.504 0.108 25868 7029 1 14 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.041 -0.041 25868 7030 1 14 . 1 1 42 42 ARG C C 42 178.901 178.901 177.925 0.976 25868 7031 1 14 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.288 -0.490 25868 7032 1 14 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.520 -0.646 25868 7033 1 14 . 1 1 42 42 ARG H H 42 8.864 8.864 8.719 0.145 25868 7034 1 14 . 1 1 43 43 GLU N N 43 120.194 120.194 118.376 1.818 25868 7035 1 14 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.360 -0.237 25868 7036 1 14 . 1 1 43 43 GLU C C 43 178.901 178.901 178.614 0.287 25868 7037 1 14 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.347 0.091 25868 7038 1 14 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.427 0.507 25868 7039 1 14 . 1 1 43 43 GLU H H 43 8.062 8.062 8.593 -0.531 25868 7040 1 14 . 1 1 44 44 ALA N N 44 121.369 121.369 121.915 -0.546 25868 7041 1 14 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.930 -0.357 25868 7042 1 14 . 1 1 44 44 ALA C C 44 177.911 177.911 179.042 -1.131 25868 7043 1 14 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.914 0.848 25868 7044 1 14 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.195 0.353 25868 7045 1 14 . 1 1 44 44 ALA H H 44 8.627 8.627 7.986 0.641 25868 7046 1 14 . 1 1 45 45 ALA N N 45 117.108 117.108 120.027 -2.919 25868 7047 1 14 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.196 -0.111 25868 7048 1 14 . 1 1 45 45 ALA C C 45 178.078 178.078 179.715 -1.637 25868 7049 1 14 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.211 0.365 25868 7050 1 14 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.392 -0.952 25868 7051 1 14 . 1 1 45 45 ALA H H 45 8.310 8.310 7.859 0.451 25868 7052 1 14 . 1 1 46 46 GLU N N 46 115.941 115.941 118.496 -2.555 25868 7053 1 14 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.062 -0.143 25868 7054 1 14 . 1 1 46 46 GLU C C 46 179.341 179.341 179.061 0.280 25868 7055 1 14 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.464 0.293 25868 7056 1 14 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.323 -0.186 25868 7057 1 14 . 1 1 46 46 GLU H H 46 7.451 7.451 7.710 -0.259 25868 7058 1 14 . 1 1 47 47 TYR N N 47 117.925 117.925 118.756 -0.831 25868 7059 1 14 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.231 -0.386 25868 7060 1 14 . 1 1 47 47 TYR C C 47 178.544 178.544 178.328 0.216 25868 7061 1 14 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.052 3.612 25868 7062 1 14 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.002 -0.688 25868 7063 1 14 . 1 1 47 47 TYR H H 47 7.746 7.746 7.288 0.458 25868 7064 1 14 . 1 1 48 48 PHE N N 48 118.758 118.758 118.424 0.334 25868 7065 1 14 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.437 0.311 25868 7066 1 14 . 1 1 48 48 PHE C C 48 178.227 178.227 178.116 0.111 25868 7067 1 14 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.254 -0.701 25868 7068 1 14 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.301 -0.152 25868 7069 1 14 . 1 1 48 48 PHE H H 48 9.054 9.054 8.379 0.675 25868 7070 1 14 . 1 1 49 49 PHE N N 49 120.234 120.234 121.717 -1.483 25868 7071 1 14 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.359 0.139 25868 7072 1 14 . 1 1 49 49 PHE C C 49 176.645 176.645 177.316 -0.671 25868 7073 1 14 . 1 1 49 49 PHE CA C 49 61.221 61.221 60.739 0.482 25868 7074 1 14 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.097 1.192 25868 7075 1 14 . 1 1 49 49 PHE H H 49 8.981 8.981 8.153 0.828 25868 7076 1 14 . 1 1 50 50 ARG N N 50 117.925 117.925 118.725 -0.800 25868 7077 1 14 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.722 0.058 25868 7078 1 14 . 1 1 50 50 ARG C C 50 179.369 179.369 178.618 0.751 25868 7079 1 14 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.450 0.379 25868 7080 1 14 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.916 0.607 25868 7081 1 14 . 1 1 50 50 ARG H H 50 8.450 8.450 8.266 0.184 25868 7082 1 14 . 1 1 51 51 ALA N N 51 120.897 120.897 121.859 -0.962 25868 7083 1 14 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.022 -0.306 25868 7084 1 14 . 1 1 51 51 ALA C C 51 177.085 177.085 179.232 -2.147 25868 7085 1 14 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.006 0.092 25868 7086 1 14 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.497 -1.231 25868 7087 1 14 . 1 1 51 51 ALA H H 51 8.697 8.697 8.119 0.578 25868 7088 1 14 . 1 1 52 52 ALA N N 52 120.007 120.007 121.421 -1.414 25868 7089 1 14 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.415 -0.346 25868 7090 1 14 . 1 1 52 52 ALA C C 52 178.067 178.067 179.927 -1.860 25868 7091 1 14 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.058 1.050 25868 7092 1 14 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.720 -1.467 25868 7093 1 14 . 1 1 52 52 ALA H H 52 8.483 8.483 7.867 0.616 25868 7094 1 14 . 1 1 53 53 ILE N N 53 116.864 116.864 118.653 -1.789 25868 7095 1 14 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.249 -0.066 25868 7096 1 14 . 1 1 53 53 ILE C C 53 178.323 178.323 177.689 0.634 25868 7097 1 14 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.181 0.584 25868 7098 1 14 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.600 0.876 25868 7099 1 14 . 1 1 53 53 ILE H H 53 8.033 8.033 7.991 0.042 25868 7100 1 14 . 1 1 54 54 VAL N N 54 119.604 119.604 119.634 -0.030 25868 7101 1 14 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.581 -0.090 25868 7102 1 14 . 1 1 54 54 VAL C C 54 178.200 178.200 178.030 0.170 25868 7103 1 14 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.905 0.471 25868 7104 1 14 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.480 -0.072 25868 7105 1 14 . 1 1 54 54 VAL H H 54 7.126 7.126 7.096 0.030 25868 7106 1 14 . 1 1 55 55 PHE N N 55 118.386 118.386 118.844 -0.458 25868 7107 1 14 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.474 0.062 25868 7108 1 14 . 1 1 55 55 PHE C C 55 178.571 178.571 177.469 1.102 25868 7109 1 14 . 1 1 55 55 PHE CA C 55 59.487 59.487 60.565 -1.078 25868 7110 1 14 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.994 0.163 25868 7111 1 14 . 1 1 55 55 PHE H H 55 9.061 9.061 8.183 0.878 25868 7112 1 14 . 1 1 56 56 TYR N N 56 119.488 119.488 120.884 -1.396 25868 7113 1 14 . 1 1 56 56 TYR HA H 56 4.351 4.351 4.054 0.297 25868 7114 1 14 . 1 1 56 56 TYR C C 56 178.871 178.871 177.040 1.831 25868 7115 1 14 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.302 -0.808 25868 7116 1 14 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.296 -0.493 25868 7117 1 14 . 1 1 56 56 TYR H H 56 8.975 8.975 7.848 1.127 25868 7118 1 14 . 1 1 57 57 LYS N N 57 121.083 121.083 117.557 3.526 25868 7119 1 14 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.501 -0.038 25868 7120 1 14 . 1 1 57 57 LYS C C 57 178.103 178.103 177.545 0.558 25868 7121 1 14 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.462 0.383 25868 7122 1 14 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.136 -0.411 25868 7123 1 14 . 1 1 57 57 LYS H H 57 7.753 7.753 7.625 0.128 25868 7124 1 14 . 1 1 58 58 GLU N N 58 114.098 114.098 115.579 -1.481 25868 7125 1 14 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.187 -0.030 25868 7126 1 14 . 1 1 58 58 GLU C C 58 175.655 175.655 176.490 -0.835 25868 7127 1 14 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.749 -1.615 25868 7128 1 14 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.073 -0.433 25868 7129 1 14 . 1 1 58 58 GLU H H 58 7.849 7.849 7.469 0.380 25868 7130 1 14 . 1 1 59 59 HIS N N 59 115.781 115.781 114.374 1.407 25868 7131 1 14 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.425 -0.215 25868 7132 1 14 . 1 1 59 59 HIS C C 59 173.784 173.784 174.030 -0.246 25868 7133 1 14 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.117 -0.707 25868 7134 1 14 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.760 -0.922 25868 7135 1 14 . 1 1 59 59 HIS H H 59 7.659 7.659 7.259 0.400 25868 7136 1 14 . 1 1 60 60 ASP N N 60 118.780 118.780 120.149 -1.369 25868 7137 1 14 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.731 0.128 25868 7138 1 14 . 1 1 60 60 ASP C C 60 175.847 175.847 177.048 -1.201 25868 7139 1 14 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.735 -1.932 25868 7140 1 14 . 1 1 60 60 ASP CB C 60 40.131 40.131 41.007 -0.876 25868 7141 1 14 . 1 1 60 60 ASP H H 60 8.660 8.660 8.186 0.474 25868 7142 1 14 . 1 1 61 61 THR N N 61 118.884 118.884 118.907 -0.023 25868 7143 1 14 . 1 1 61 61 THR HA H 61 3.763 3.763 3.970 -0.207 25868 7144 1 14 . 1 1 61 61 THR C C 61 175.886 175.886 176.212 -0.326 25868 7145 1 14 . 1 1 61 61 THR CA C 61 66.159 66.159 66.849 -0.690 25868 7146 1 14 . 1 1 61 61 THR CB C 61 68.168 68.168 68.612 -0.444 25868 7147 1 14 . 1 1 61 61 THR H H 61 7.955 7.955 8.096 -0.141 25868 7148 1 14 . 1 1 62 62 ASP N N 62 121.668 121.668 122.801 -1.133 25868 7149 1 14 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.358 -0.096 25868 7150 1 14 . 1 1 62 62 ASP C C 62 178.461 178.461 178.115 0.346 25868 7151 1 14 . 1 1 62 62 ASP CA C 62 57.449 57.449 56.797 0.652 25868 7152 1 14 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.422 0.513 25868 7153 1 14 . 1 1 62 62 ASP H H 62 8.298 8.298 8.147 0.151 25868 7154 1 14 . 1 1 63 63 GLY N N 63 109.003 109.003 107.258 1.745 25868 7155 1 14 . 1 1 63 63 GLY C C 63 175.517 175.517 175.479 0.038 25868 7156 1 14 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.008 0.051 25868 7157 1 14 . 1 1 63 63 GLY H H 63 8.018 8.018 8.192 -0.174 25868 7158 1 14 . 1 1 64 64 LEU N N 64 122.504 122.504 123.121 -0.617 25868 7159 1 14 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.160 -0.078 25868 7160 1 14 . 1 1 64 64 LEU C C 64 177.333 177.333 178.260 -0.927 25868 7161 1 14 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.348 1.145 25868 7162 1 14 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.853 0.254 25868 7163 1 14 . 1 1 64 64 LEU H H 64 8.073 8.073 8.097 -0.024 25868 7164 1 14 . 1 1 65 65 ARG N N 65 118.626 118.626 118.981 -0.355 25868 7165 1 14 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.878 0.014 25868 7166 1 14 . 1 1 65 65 ARG C C 65 179.045 179.045 178.302 0.743 25868 7167 1 14 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.739 0.116 25868 7168 1 14 . 1 1 65 65 ARG CB C 65 29.935 29.935 29.917 0.018 25868 7169 1 14 . 1 1 65 65 ARG H H 65 8.491 8.491 7.864 0.627 25868 7170 1 14 . 1 1 66 66 ARG N N 66 119.009 119.009 119.068 -0.059 25868 7171 1 14 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.958 0.009 25868 7172 1 14 . 1 1 66 66 ARG C C 66 178.943 178.943 178.538 0.405 25868 7173 1 14 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.158 0.055 25868 7174 1 14 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.771 -0.220 25868 7175 1 14 . 1 1 66 66 ARG H H 66 7.601 7.601 7.822 -0.221 25868 7176 1 14 . 1 1 67 67 ALA N N 67 122.174 122.174 120.977 1.197 25868 7177 1 14 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.392 -0.215 25868 7178 1 14 . 1 1 67 67 ALA C C 67 178.654 178.654 179.283 -0.629 25868 7179 1 14 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.708 1.386 25868 7180 1 14 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.429 -0.550 25868 7181 1 14 . 1 1 67 67 ALA H H 67 8.681 8.681 7.983 0.698 25868 7182 1 14 . 1 1 68 68 ALA N N 68 119.208 119.208 121.905 -2.697 25868 7183 1 14 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.015 -0.064 25868 7184 1 14 . 1 1 68 68 ALA C C 68 179.562 179.562 179.688 -0.126 25868 7185 1 14 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.062 0.503 25868 7186 1 14 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.400 -0.559 25868 7187 1 14 . 1 1 68 68 ALA H H 68 9.060 9.060 7.991 1.069 25868 7188 1 14 . 1 1 69 69 LYS N N 69 119.434 119.434 118.002 1.432 25868 7189 1 14 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.054 -0.064 25868 7190 1 14 . 1 1 69 69 LYS C C 69 178.929 178.929 178.905 0.024 25868 7191 1 14 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.348 1.187 25868 7192 1 14 . 1 1 69 69 LYS CB C 69 32.110 32.110 31.707 0.403 25868 7193 1 14 . 1 1 69 69 LYS H H 69 7.997 7.997 8.242 -0.245 25868 7194 1 14 . 1 1 70 70 SER N N 70 116.406 116.406 115.245 1.161 25868 7195 1 14 . 1 1 70 70 SER HA H 70 3.908 3.908 4.105 -0.197 25868 7196 1 14 . 1 1 70 70 SER C C 70 175.957 175.957 176.710 -0.753 25868 7197 1 14 . 1 1 70 70 SER CA C 70 62.776 62.776 60.744 2.032 25868 7198 1 14 . 1 1 70 70 SER CB C 70 60.389 60.389 62.319 -1.930 25868 7199 1 14 . 1 1 70 70 SER H H 70 8.105 8.105 7.542 0.563 25868 7200 1 14 . 1 1 71 71 LEU N N 71 123.712 123.712 123.465 0.247 25868 7201 1 14 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.225 -0.144 25868 7202 1 14 . 1 1 71 71 LEU C C 71 176.893 176.893 178.440 -1.547 25868 7203 1 14 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.011 0.966 25868 7204 1 14 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.954 0.490 25868 7205 1 14 . 1 1 71 71 LEU H H 71 8.315 8.315 7.992 0.323 25868 7206 1 14 . 1 1 72 72 LYS N N 72 117.431 117.431 118.801 -1.370 25868 7207 1 14 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.938 -0.076 25868 7208 1 14 . 1 1 72 72 LYS C C 72 179.617 179.617 179.031 0.586 25868 7209 1 14 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.529 0.011 25868 7210 1 14 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.221 -0.231 25868 7211 1 14 . 1 1 72 72 LYS H H 72 7.785 7.785 7.653 0.132 25868 7212 1 14 . 1 1 73 73 GLU N N 73 117.402 117.402 118.038 -0.636 25868 7213 1 14 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.163 -0.144 25868 7214 1 14 . 1 1 73 73 GLU C C 73 178.475 178.475 178.715 -0.240 25868 7215 1 14 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.458 0.188 25868 7216 1 14 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.196 0.213 25868 7217 1 14 . 1 1 73 73 GLU H H 73 7.920 7.920 8.165 -0.245 25868 7218 1 14 . 1 1 74 74 ALA N N 74 122.211 122.211 122.182 0.029 25868 7219 1 14 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.342 -0.023 25868 7220 1 14 . 1 1 74 74 ALA C C 74 178.839 178.839 179.008 -0.169 25868 7221 1 14 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.629 -0.251 25868 7222 1 14 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.832 -1.302 25868 7223 1 14 . 1 1 74 74 ALA H H 74 8.010 8.010 7.668 0.342 25868 7224 1 14 . 1 1 75 75 ILE N N 75 113.486 113.486 117.557 -4.071 25868 7225 1 14 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.860 -0.445 25868 7226 1 14 . 1 1 75 75 ILE C C 75 177.333 177.333 178.869 -1.536 25868 7227 1 14 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.310 2.504 25868 7228 1 14 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.470 1.727 25868 7229 1 14 . 1 1 75 75 ILE H H 75 7.405 7.405 7.724 -0.319 25868 7230 1 14 . 1 1 76 76 THR N N 76 105.977 105.977 114.146 -8.169 25868 7231 1 14 . 1 1 76 76 THR HA H 76 3.963 3.963 4.069 -0.106 25868 7232 1 14 . 1 1 76 76 THR C C 76 174.609 174.609 174.619 -0.010 25868 7233 1 14 . 1 1 76 76 THR CA C 76 63.773 63.773 64.507 -0.734 25868 7234 1 14 . 1 1 76 76 THR CB C 76 68.757 68.757 68.630 0.127 25868 7235 1 14 . 1 1 76 76 THR H H 76 7.217 7.217 7.629 -0.412 25868 7236 1 14 . 1 1 77 77 ALA N N 77 122.534 122.534 121.825 0.709 25868 7237 1 14 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.477 -0.060 25868 7238 1 14 . 1 1 77 77 ALA C C 77 177.085 177.085 177.609 -0.524 25868 7239 1 14 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.121 0.507 25868 7240 1 14 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.134 0.647 25868 7241 1 14 . 1 1 77 77 ALA H H 77 7.486 7.486 7.091 0.395 25868 7242 1 14 . 1 1 78 78 ILE N N 78 123.223 123.223 123.034 0.189 25868 7243 1 14 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.160 0.052 25868 7244 1 14 . 1 1 78 78 ILE C C 78 174.939 174.939 174.298 0.641 25868 7245 1 14 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.408 0.390 25868 7246 1 14 . 1 1 78 78 ILE CB C 78 39.616 39.616 38.397 1.219 25868 7247 1 14 . 1 1 78 78 ILE H H 78 7.428 7.428 7.214 0.214 25868 7248 1 14 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.332 0.106 25868 7249 1 14 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.345 0.740 25868 7250 1 14 . 1 1 79 79 PRO CB C 79 32.309 32.309 31.628 0.680 25868 7251 1 14 . 1 1 83 83 GLY N N 83 105.726 105.726 107.944 -2.218 25868 7252 1 14 . 1 1 83 83 GLY C C 83 175.765 175.765 175.098 0.667 25868 7253 1 14 . 1 1 83 83 GLY CA C 83 46.491 46.491 46.038 0.453 25868 7254 1 14 . 1 1 83 83 GLY H H 83 7.613 7.613 8.443 -0.830 25868 7255 1 14 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.920 -0.036 25868 7256 1 14 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.160 2.161 25868 7257 1 14 . 1 1 84 84 ARG CB C 84 30.827 30.827 28.020 2.807 25868 7258 1 14 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.107 -0.123 25868 7259 1 14 . 1 1 86 86 GLU C C 86 179.163 179.163 178.675 0.488 25868 7260 1 14 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.858 0.338 25868 7261 1 14 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.698 0.230 25868 7262 1 14 . 1 1 86 86 GLU H H 86 7.965 7.965 7.811 0.154 25868 7263 1 14 . 1 1 87 87 ALA N N 87 122.092 122.092 122.052 0.040 25868 7264 1 14 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.015 0.184 25868 7265 1 14 . 1 1 87 87 ALA C C 87 178.980 178.980 179.488 -0.508 25868 7266 1 14 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.440 0.230 25868 7267 1 14 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.039 0.374 25868 7268 1 14 . 1 1 87 87 ALA H H 87 8.108 8.108 8.086 0.022 25868 7269 1 14 . 1 1 88 88 LYS N N 88 118.808 118.808 119.054 -0.246 25868 7270 1 14 . 1 1 88 88 LYS HA H 88 3.893 3.893 4.036 -0.143 25868 7271 1 14 . 1 1 88 88 LYS C C 88 179.341 179.341 178.106 1.235 25868 7272 1 14 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.977 1.026 25868 7273 1 14 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.059 0.167 25868 7274 1 14 . 1 1 88 88 LYS H H 88 8.501 8.501 8.104 0.397 25868 7275 1 14 . 1 1 89 89 GLU N N 89 119.454 119.454 119.909 -0.455 25868 7276 1 14 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.887 0.108 25868 7277 1 14 . 1 1 89 89 GLU C C 89 179.017 179.017 178.704 0.313 25868 7278 1 14 . 1 1 89 89 GLU CA C 89 58.943 58.943 59.434 -0.491 25868 7279 1 14 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.236 -0.404 25868 7280 1 14 . 1 1 89 89 GLU H H 89 7.544 7.544 7.648 -0.104 25868 7281 1 14 . 1 1 90 90 MET N N 90 119.262 119.262 117.114 2.148 25868 7282 1 14 . 1 1 90 90 MET HA H 90 3.284 3.284 3.363 -0.079 25868 7283 1 14 . 1 1 90 90 MET C C 90 177.003 177.003 178.123 -1.120 25868 7284 1 14 . 1 1 90 90 MET CA C 90 59.168 59.168 58.377 0.791 25868 7285 1 14 . 1 1 90 90 MET CB C 90 33.468 33.468 31.828 1.640 25868 7286 1 14 . 1 1 90 90 MET H H 90 7.600 7.600 7.216 0.384 25868 7287 1 14 . 1 1 91 91 ALA N N 91 120.041 120.041 122.695 -2.654 25868 7288 1 14 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.982 -0.114 25868 7289 1 14 . 1 1 91 91 ALA C C 91 179.039 179.039 179.324 -0.285 25868 7290 1 14 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.165 -0.135 25868 7291 1 14 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.151 -0.067 25868 7292 1 14 . 1 1 91 91 ALA H H 91 8.212 8.212 7.468 0.744 25868 7293 1 14 . 1 1 92 92 LYS N N 92 118.442 118.442 117.934 0.508 25868 7294 1 14 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.821 0.101 25868 7295 1 14 . 1 1 92 92 LYS C C 92 178.874 178.874 179.011 -0.137 25868 7296 1 14 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.484 -0.363 25868 7297 1 14 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.011 0.232 25868 7298 1 14 . 1 1 92 92 LYS H H 92 7.819 7.819 8.156 -0.337 25868 7299 1 14 . 1 1 93 93 LYS N N 93 119.228 119.228 118.852 0.376 25868 7300 1 14 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.561 0.016 25868 7301 1 14 . 1 1 93 93 LYS C C 93 176.618 176.618 178.109 -1.491 25868 7302 1 14 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.571 -0.445 25868 7303 1 14 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.600 -0.455 25868 7304 1 14 . 1 1 93 93 LYS H H 93 7.449 7.449 7.601 -0.152 25868 7305 1 14 . 1 1 94 94 ALA N N 94 117.825 117.825 120.841 -3.016 25868 7306 1 14 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.940 -0.159 25868 7307 1 14 . 1 1 94 94 ALA C C 94 178.736 178.736 179.734 -0.998 25868 7308 1 14 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.134 -0.256 25868 7309 1 14 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.356 -1.113 25868 7310 1 14 . 1 1 94 94 ALA H H 94 7.698 7.698 7.616 0.082 25868 7311 1 14 . 1 1 95 95 GLU N N 95 115.361 115.361 118.070 -2.709 25868 7312 1 14 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.051 -0.142 25868 7313 1 14 . 1 1 95 95 GLU C C 95 178.984 178.984 179.143 -0.159 25868 7314 1 14 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.198 0.182 25868 7315 1 14 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.223 0.253 25868 7316 1 14 . 1 1 95 95 GLU H H 95 7.907 7.907 7.840 0.067 25868 7317 1 14 . 1 1 96 96 GLU N N 96 121.608 121.608 120.712 0.896 25868 7318 1 14 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.360 -0.411 25868 7319 1 14 . 1 1 96 96 GLU C C 96 180.249 180.249 179.371 0.878 25868 7320 1 14 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.891 0.306 25868 7321 1 14 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.232 -0.352 25868 7322 1 14 . 1 1 96 96 GLU H H 96 7.815 7.815 8.137 -0.322 25868 7323 1 14 . 1 1 97 97 TRP N N 97 122.511 122.511 119.393 3.118 25868 7324 1 14 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.295 0.103 25868 7325 1 14 . 1 1 97 97 TRP C C 97 178.007 178.007 178.804 -0.797 25868 7326 1 14 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.971 -1.235 25868 7327 1 14 . 1 1 97 97 TRP CB C 97 27.978 27.978 27.979 -0.001 25868 7328 1 14 . 1 1 97 97 TRP H H 97 8.069 8.069 8.062 0.007 25868 7329 1 14 . 1 1 98 98 LEU N N 98 119.235 119.235 120.948 -1.713 25868 7330 1 14 . 1 1 98 98 LEU HA H 98 4.083 4.083 3.995 0.088 25868 7331 1 14 . 1 1 98 98 LEU C C 98 178.599 178.599 178.953 -0.354 25868 7332 1 14 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.313 -0.659 25868 7333 1 14 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.665 0.300 25868 7334 1 14 . 1 1 98 98 LEU H H 98 8.077 8.077 7.742 0.335 25868 7335 1 14 . 1 1 99 99 GLN N N 99 117.609 117.609 117.201 0.408 25868 7336 1 14 . 1 1 99 99 GLN HA H 99 4.116 4.116 3.960 0.156 25868 7337 1 14 . 1 1 99 99 GLN C C 99 177.636 177.636 177.429 0.207 25868 7338 1 14 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.705 -0.985 25868 7339 1 14 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.632 -0.386 25868 7340 1 14 . 1 1 99 99 GLN H H 99 8.077 8.077 8.170 -0.093 25868 7341 1 14 . 1 1 100 100 ALA N N 100 122.106 122.106 119.789 2.317 25868 7342 1 14 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.226 0.079 25868 7343 1 14 . 1 1 100 100 ALA C C 100 179.424 179.424 179.165 0.259 25868 7344 1 14 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.296 -0.243 25868 7345 1 14 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.208 -0.655 25868 7346 1 14 . 1 1 100 100 ALA H H 100 7.944 7.944 7.470 0.474 25868 7347 1 14 . 1 1 101 101 GLU N N 101 117.817 117.817 116.446 1.371 25868 7348 1 14 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.317 0.039 25868 7349 1 14 . 1 1 101 101 GLU C C 101 177.415 177.415 177.473 -0.058 25868 7350 1 14 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.328 -0.315 25868 7351 1 14 . 1 1 101 101 GLU CB C 101 30.399 30.399 29.979 0.420 25868 7352 1 14 . 1 1 101 101 GLU H H 101 8.162 8.162 7.972 0.190 25868 7353 1 14 . 1 1 102 102 GLN N N 102 118.194 118.194 119.413 -1.219 25868 7354 1 14 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.355 -0.021 25868 7355 1 14 . 1 1 102 102 GLN C C 102 175.755 175.755 175.569 0.186 25868 7356 1 14 . 1 1 102 102 GLN CA C 102 56.327 56.327 54.494 1.833 25868 7357 1 14 . 1 1 102 102 GLN CB C 102 29.294 29.294 26.756 2.538 25868 7358 1 14 . 1 1 102 102 GLN H H 102 8.094 8.094 7.541 0.553 25868 7359 1 14 . 1 1 103 103 ASN N N 103 119.032 119.032 123.825 -4.793 25868 7360 1 14 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.521 0.269 25868 7361 1 14 . 1 1 103 103 ASN C C 103 173.949 173.949 174.962 -1.013 25868 7362 1 14 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.708 -0.679 25868 7363 1 14 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.746 0.304 25868 7364 1 14 . 1 1 103 103 ASN H H 103 8.149 8.149 8.328 -0.179 25868 7365 1 15 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.641 -0.067 25868 7366 1 15 . 1 1 2 2 ASP C C 2 176.630 176.630 177.034 -0.404 25868 7367 1 15 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.217 0.825 25868 7368 1 15 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.709 -0.808 25868 7369 1 15 . 1 1 3 3 GLU N N 3 121.683 121.683 119.789 1.894 25868 7370 1 15 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.106 0.074 25868 7371 1 15 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.403 -1.507 25868 7372 1 15 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.073 0.334 25868 7373 1 15 . 1 1 3 3 GLU H H 3 8.889 8.889 8.784 0.105 25868 7374 1 15 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.487 -0.042 25868 7375 1 15 . 1 1 4 4 ASN C C 4 176.095 176.095 176.797 -0.702 25868 7376 1 15 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.223 -0.578 25868 7377 1 15 . 1 1 4 4 ASN CB C 4 37.806 37.806 38.304 -0.498 25868 7378 1 15 . 1 1 5 5 ILE N N 5 119.355 119.355 120.392 -1.037 25868 7379 1 15 . 1 1 5 5 ILE HA H 5 3.877 3.877 4.217 -0.340 25868 7380 1 15 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.193 -0.112 25868 7381 1 15 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.830 -0.139 25868 7382 1 15 . 1 1 5 5 ILE H H 5 8.018 8.018 7.683 0.335 25868 7383 1 15 . 1 1 6 6 ALA N N 6 123.430 123.430 121.771 1.659 25868 7384 1 15 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.264 -0.015 25868 7385 1 15 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.876 -0.704 25868 7386 1 15 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.375 -0.132 25868 7387 1 15 . 1 1 6 6 ALA H H 6 8.041 8.041 8.046 -0.005 25868 7388 1 15 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.975 0.055 25868 7389 1 15 . 1 1 7 7 LYS C C 7 178.778 178.778 179.255 -0.477 25868 7390 1 15 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.731 0.023 25868 7391 1 15 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.894 0.119 25868 7392 1 15 . 1 1 8 8 PHE N N 8 120.439 120.439 117.614 2.825 25868 7393 1 15 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.351 0.323 25868 7394 1 15 . 1 1 8 8 PHE C C 8 177.470 177.470 177.883 -0.413 25868 7395 1 15 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.806 -0.651 25868 7396 1 15 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.263 1.013 25868 7397 1 15 . 1 1 8 8 PHE H H 8 7.908 7.908 7.570 0.338 25868 7398 1 15 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.157 -0.028 25868 7399 1 15 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.861 0.251 25868 7400 1 15 . 1 1 9 9 GLU CB C 9 29.794 29.794 28.965 0.829 25868 7401 1 15 . 1 1 11 11 ALA N N 11 122.712 122.712 119.367 3.345 25868 7402 1 15 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.193 0.013 25868 7403 1 15 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.356 0.814 25868 7404 1 15 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.106 -0.845 25868 7405 1 15 . 1 1 11 11 ALA H H 11 7.945 7.945 7.447 0.498 25868 7406 1 15 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.371 -0.250 25868 7407 1 15 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.499 0.667 25868 7408 1 15 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.783 -0.783 25868 7409 1 15 . 1 1 13 13 LYS N N 13 120.452 120.452 126.054 -5.602 25868 7410 1 15 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.558 -0.518 25868 7411 1 15 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.357 3.456 25868 7412 1 15 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.661 -1.334 25868 7413 1 15 . 1 1 13 13 LYS H H 13 8.017 8.017 7.953 0.064 25868 7414 1 15 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.029 0.125 25868 7415 1 15 . 1 1 14 14 LYS CA C 14 57.675 57.675 59.143 -1.468 25868 7416 1 15 . 1 1 14 14 LYS CB C 14 32.196 32.196 32.377 -0.181 25868 7417 1 15 . 1 1 14 14 LYS H H 14 8.011 8.011 8.845 -0.834 25868 7418 1 15 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.151 0.121 25868 7419 1 15 . 1 1 15 15 ALA C C 15 179.056 179.056 178.299 0.757 25868 7420 1 15 . 1 1 15 15 ALA CA C 15 53.971 53.971 54.146 -0.175 25868 7421 1 15 . 1 1 15 15 ALA CB C 15 18.684 18.684 16.375 2.309 25868 7422 1 15 . 1 1 16 16 GLU N N 16 120.136 120.136 121.300 -1.164 25868 7423 1 15 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.089 0.126 25868 7424 1 15 . 1 1 16 16 GLU C C 16 179.176 179.176 175.733 3.443 25868 7425 1 15 . 1 1 16 16 GLU CA C 16 58.499 58.499 58.189 0.310 25868 7426 1 15 . 1 1 16 16 GLU CB C 16 29.915 29.915 30.245 -0.330 25868 7427 1 15 . 1 1 16 16 GLU H H 16 8.599 8.599 8.202 0.397 25868 7428 1 15 . 1 1 17 17 GLU N N 17 120.683 120.683 115.276 5.407 25868 7429 1 15 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.507 -0.433 25868 7430 1 15 . 1 1 17 17 GLU CA C 17 58.104 58.104 55.923 2.181 25868 7431 1 15 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.353 0.365 25868 7432 1 15 . 1 1 17 17 GLU H H 17 8.009 8.009 7.946 0.063 25868 7433 1 15 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.433 -0.103 25868 7434 1 15 . 1 1 18 18 LEU CA C 18 54.498 54.498 55.282 -0.784 25868 7435 1 15 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.126 -1.157 25868 7436 1 15 . 1 1 18 18 LEU H H 18 7.614 7.614 8.533 -0.919 25868 7437 1 15 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.419 -0.010 25868 7438 1 15 . 1 1 19 19 ASN C C 19 174.609 174.609 174.248 0.361 25868 7439 1 15 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.442 -0.766 25868 7440 1 15 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.329 0.496 25868 7441 1 15 . 1 1 20 20 GLN N N 20 118.736 118.736 117.834 0.902 25868 7442 1 15 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.556 -0.096 25868 7443 1 15 . 1 1 20 20 GLN C C 20 176.659 176.659 174.829 1.830 25868 7444 1 15 . 1 1 20 20 GLN CA C 20 54.688 54.688 54.954 -0.266 25868 7445 1 15 . 1 1 20 20 GLN CB C 20 28.164 28.164 30.804 -2.640 25868 7446 1 15 . 1 1 20 20 GLN H H 20 8.340 8.340 7.999 0.341 25868 7447 1 15 . 1 1 21 21 GLY N N 21 111.864 111.864 109.070 2.794 25868 7448 1 15 . 1 1 21 21 GLY CA C 21 47.053 47.053 43.399 3.654 25868 7449 1 15 . 1 1 21 21 GLY H H 21 8.455 8.455 8.165 0.290 25868 7450 1 15 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.007 0.256 25868 7451 1 15 . 1 1 23 23 LEU C C 23 179.620 179.620 177.989 1.631 25868 7452 1 15 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.860 -0.466 25868 7453 1 15 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.044 -0.493 25868 7454 1 15 . 1 1 24 24 MET N N 24 120.657 120.657 116.050 4.607 25868 7455 1 15 . 1 1 24 24 MET HA H 24 4.077 4.077 4.219 -0.142 25868 7456 1 15 . 1 1 24 24 MET CB C 24 34.035 34.035 32.514 1.521 25868 7457 1 15 . 1 1 24 24 MET H H 24 8.219 8.219 7.346 0.873 25868 7458 1 15 . 1 1 25 25 GLY N N 25 106.956 106.956 107.293 -0.337 25868 7459 1 15 . 1 1 25 25 GLY C C 25 175.016 175.016 175.527 -0.511 25868 7460 1 15 . 1 1 25 25 GLY CA C 25 47.771 47.771 45.916 1.855 25868 7461 1 15 . 1 1 25 25 GLY H H 25 8.589 8.589 8.633 -0.044 25868 7462 1 15 . 1 1 26 26 ARG N N 26 119.970 119.970 123.609 -3.639 25868 7463 1 15 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.392 -0.176 25868 7464 1 15 . 1 1 26 26 ARG C C 26 177.966 177.966 177.730 0.236 25868 7465 1 15 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.670 0.057 25868 7466 1 15 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.406 -0.143 25868 7467 1 15 . 1 1 26 26 ARG H H 26 8.297 8.297 7.693 0.604 25868 7468 1 15 . 1 1 27 27 ALA N N 27 121.499 121.499 122.306 -0.807 25868 7469 1 15 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.226 0.038 25868 7470 1 15 . 1 1 27 27 ALA C C 27 179.878 179.878 179.683 0.195 25868 7471 1 15 . 1 1 27 27 ALA CA C 27 55.700 55.700 55.154 0.546 25868 7472 1 15 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.074 0.249 25868 7473 1 15 . 1 1 27 27 ALA H H 27 7.816 7.816 8.521 -0.705 25868 7474 1 15 . 1 1 28 28 LEU N N 28 117.285 117.285 118.673 -1.388 25868 7475 1 15 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.024 0.003 25868 7476 1 15 . 1 1 28 28 LEU C C 28 178.158 178.158 179.272 -1.114 25868 7477 1 15 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.479 0.615 25868 7478 1 15 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.398 0.856 25868 7479 1 15 . 1 1 28 28 LEU H H 28 8.066 8.066 8.226 -0.160 25868 7480 1 15 . 1 1 29 29 TYR N N 29 119.594 119.594 120.859 -1.265 25868 7481 1 15 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.452 -0.458 25868 7482 1 15 . 1 1 29 29 TYR C C 29 176.382 176.382 177.697 -1.315 25868 7483 1 15 . 1 1 29 29 TYR CA C 29 62.667 62.667 62.200 0.467 25868 7484 1 15 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.724 0.186 25868 7485 1 15 . 1 1 29 29 TYR H H 29 8.568 8.568 8.245 0.323 25868 7486 1 15 . 1 1 30 30 ASN N N 30 116.978 116.978 117.617 -0.639 25868 7487 1 15 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.234 0.027 25868 7488 1 15 . 1 1 30 30 ASN C C 30 178.521 178.521 177.813 0.708 25868 7489 1 15 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.540 -0.616 25868 7490 1 15 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.767 -2.304 25868 7491 1 15 . 1 1 30 30 ASN H H 30 8.290 8.290 8.078 0.212 25868 7492 1 15 . 1 1 31 31 ILE N N 31 122.107 122.107 119.489 2.618 25868 7493 1 15 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.785 -0.428 25868 7494 1 15 . 1 1 31 31 ILE C C 31 178.007 178.007 177.776 0.231 25868 7495 1 15 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.898 1.299 25868 7496 1 15 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.746 -0.060 25868 7497 1 15 . 1 1 31 31 ILE H H 31 8.006 8.006 8.463 -0.457 25868 7498 1 15 . 1 1 32 32 GLY N N 32 107.810 107.810 108.685 -0.875 25868 7499 1 15 . 1 1 32 32 GLY C C 32 175.187 175.187 175.647 -0.460 25868 7500 1 15 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.832 1.688 25868 7501 1 15 . 1 1 32 32 GLY H H 32 7.880 7.880 7.985 -0.105 25868 7502 1 15 . 1 1 33 33 LEU N N 33 120.587 120.587 120.504 0.083 25868 7503 1 15 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.106 -0.050 25868 7504 1 15 . 1 1 33 33 LEU C C 33 180.635 180.635 178.664 1.971 25868 7505 1 15 . 1 1 33 33 LEU CA C 33 58.151 58.151 58.054 0.097 25868 7506 1 15 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.397 0.280 25868 7507 1 15 . 1 1 33 33 LEU H H 33 8.117 8.117 7.751 0.366 25868 7508 1 15 . 1 1 34 34 GLU N N 34 120.332 120.332 118.464 1.868 25868 7509 1 15 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.048 -0.075 25868 7510 1 15 . 1 1 34 34 GLU C C 34 179.479 179.479 179.266 0.213 25868 7511 1 15 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.247 -0.385 25868 7512 1 15 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.705 0.446 25868 7513 1 15 . 1 1 34 34 GLU H H 34 7.763 7.763 7.682 0.081 25868 7514 1 15 . 1 1 35 35 LYS N N 35 118.642 118.642 119.467 -0.825 25868 7515 1 15 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.955 -0.042 25868 7516 1 15 . 1 1 35 35 LYS C C 35 179.149 179.149 178.901 0.248 25868 7517 1 15 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.634 -0.792 25868 7518 1 15 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.898 -1.184 25868 7519 1 15 . 1 1 35 35 LYS H H 35 8.573 8.573 7.691 0.882 25868 7520 1 15 . 1 1 36 36 ASN N N 36 119.047 119.047 117.398 1.649 25868 7521 1 15 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.418 -0.110 25868 7522 1 15 . 1 1 36 36 ASN C C 36 179.782 179.782 177.049 2.733 25868 7523 1 15 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.714 -0.055 25868 7524 1 15 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.503 -0.311 25868 7525 1 15 . 1 1 36 36 ASN H H 36 8.348 8.348 8.035 0.313 25868 7526 1 15 . 1 1 37 37 LYS N N 37 121.477 121.477 119.257 2.220 25868 7527 1 15 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.085 -0.001 25868 7528 1 15 . 1 1 37 37 LYS C C 37 177.938 177.938 178.361 -0.423 25868 7529 1 15 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.890 0.400 25868 7530 1 15 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.389 -0.180 25868 7531 1 15 . 1 1 37 37 LYS H H 37 7.956 7.956 7.891 0.065 25868 7532 1 15 . 1 1 38 38 MET N N 38 114.976 114.976 114.422 0.554 25868 7533 1 15 . 1 1 38 38 MET HA H 38 4.519 4.519 4.421 0.098 25868 7534 1 15 . 1 1 38 38 MET C C 38 175.847 175.847 176.552 -0.705 25868 7535 1 15 . 1 1 38 38 MET CA C 38 55.264 55.264 55.849 -0.585 25868 7536 1 15 . 1 1 38 38 MET CB C 38 33.388 33.388 33.663 -0.274 25868 7537 1 15 . 1 1 38 38 MET H H 38 7.394 7.394 7.549 -0.155 25868 7538 1 15 . 1 1 39 39 GLY N N 39 107.575 107.575 105.195 2.380 25868 7539 1 15 . 1 1 39 39 GLY C C 39 174.994 174.994 175.341 -0.347 25868 7540 1 15 . 1 1 39 39 GLY CA C 39 45.751 45.751 44.925 0.826 25868 7541 1 15 . 1 1 39 39 GLY H H 39 7.906 7.906 7.619 0.287 25868 7542 1 15 . 1 1 40 40 LYS N N 40 122.563 122.563 121.478 1.085 25868 7543 1 15 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.389 0.347 25868 7544 1 15 . 1 1 40 40 LYS C C 40 175.847 175.847 175.546 0.301 25868 7545 1 15 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.306 -0.926 25868 7546 1 15 . 1 1 40 40 LYS CB C 40 30.422 30.422 29.648 0.774 25868 7547 1 15 . 1 1 40 40 LYS H H 40 7.958 7.958 8.157 -0.199 25868 7548 1 15 . 1 1 41 41 ALA N N 41 123.662 123.662 123.146 0.516 25868 7549 1 15 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.151 -0.016 25868 7550 1 15 . 1 1 41 41 ALA C C 41 178.736 178.736 179.091 -0.355 25868 7551 1 15 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.977 0.752 25868 7552 1 15 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.892 1.074 25868 7553 1 15 . 1 1 41 41 ALA H H 41 7.487 7.487 7.758 -0.271 25868 7554 1 15 . 1 1 42 42 ARG N N 42 118.612 118.612 118.820 -0.208 25868 7555 1 15 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.045 -0.045 25868 7556 1 15 . 1 1 42 42 ARG C C 42 178.901 178.901 177.996 0.905 25868 7557 1 15 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.888 -0.091 25868 7558 1 15 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.220 -0.346 25868 7559 1 15 . 1 1 42 42 ARG H H 42 8.864 8.864 8.664 0.200 25868 7560 1 15 . 1 1 43 43 GLU N N 43 120.194 120.194 118.120 2.074 25868 7561 1 15 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.065 0.058 25868 7562 1 15 . 1 1 43 43 GLU C C 43 178.901 178.901 178.545 0.356 25868 7563 1 15 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.347 0.091 25868 7564 1 15 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.121 0.813 25868 7565 1 15 . 1 1 43 43 GLU H H 43 8.062 8.062 8.691 -0.629 25868 7566 1 15 . 1 1 44 44 ALA N N 44 121.369 121.369 122.247 -0.878 25868 7567 1 15 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.559 0.014 25868 7568 1 15 . 1 1 44 44 ALA C C 44 177.911 177.911 178.823 -0.912 25868 7569 1 15 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.835 0.927 25868 7570 1 15 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.204 0.344 25868 7571 1 15 . 1 1 44 44 ALA H H 44 8.627 8.627 7.999 0.628 25868 7572 1 15 . 1 1 45 45 ALA N N 45 117.108 117.108 120.827 -3.719 25868 7573 1 15 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.191 -0.106 25868 7574 1 15 . 1 1 45 45 ALA C C 45 178.078 178.078 179.758 -1.680 25868 7575 1 15 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.097 0.479 25868 7576 1 15 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.274 -0.834 25868 7577 1 15 . 1 1 45 45 ALA H H 45 8.310 8.310 7.822 0.488 25868 7578 1 15 . 1 1 46 46 GLU N N 46 115.941 115.941 119.183 -3.242 25868 7579 1 15 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.177 -0.258 25868 7580 1 15 . 1 1 46 46 GLU C C 46 179.341 179.341 179.331 0.010 25868 7581 1 15 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.608 0.150 25868 7582 1 15 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.391 -0.254 25868 7583 1 15 . 1 1 46 46 GLU H H 46 7.451 7.451 7.822 -0.371 25868 7584 1 15 . 1 1 47 47 TYR N N 47 117.925 117.925 119.495 -1.570 25868 7585 1 15 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.147 -0.302 25868 7586 1 15 . 1 1 47 47 TYR C C 47 178.544 178.544 178.582 -0.038 25868 7587 1 15 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.683 3.981 25868 7588 1 15 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.784 -0.470 25868 7589 1 15 . 1 1 47 47 TYR H H 47 7.746 7.746 7.692 0.054 25868 7590 1 15 . 1 1 48 48 PHE N N 48 118.758 118.758 117.499 1.259 25868 7591 1 15 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.422 0.326 25868 7592 1 15 . 1 1 48 48 PHE C C 48 178.227 178.227 178.407 -0.180 25868 7593 1 15 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.614 -1.061 25868 7594 1 15 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.305 -0.156 25868 7595 1 15 . 1 1 48 48 PHE H H 48 9.054 9.054 8.208 0.846 25868 7596 1 15 . 1 1 49 49 PHE N N 49 120.234 120.234 122.049 -1.815 25868 7597 1 15 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.378 0.120 25868 7598 1 15 . 1 1 49 49 PHE C C 49 176.645 176.645 177.217 -0.572 25868 7599 1 15 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.489 -0.268 25868 7600 1 15 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.295 0.994 25868 7601 1 15 . 1 1 49 49 PHE H H 49 8.981 8.981 8.169 0.812 25868 7602 1 15 . 1 1 50 50 ARG N N 50 117.925 117.925 118.620 -0.695 25868 7603 1 15 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.817 -0.037 25868 7604 1 15 . 1 1 50 50 ARG C C 50 179.369 179.369 178.662 0.707 25868 7605 1 15 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.212 0.617 25868 7606 1 15 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.851 0.672 25868 7607 1 15 . 1 1 50 50 ARG H H 50 8.450 8.450 8.375 0.075 25868 7608 1 15 . 1 1 51 51 ALA N N 51 120.897 120.897 122.193 -1.296 25868 7609 1 15 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.977 -0.261 25868 7610 1 15 . 1 1 51 51 ALA C C 51 177.085 177.085 178.917 -1.832 25868 7611 1 15 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.976 0.122 25868 7612 1 15 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.460 -1.194 25868 7613 1 15 . 1 1 51 51 ALA H H 51 8.697 8.697 8.155 0.542 25868 7614 1 15 . 1 1 52 52 ALA N N 52 120.007 120.007 120.865 -0.858 25868 7615 1 15 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.368 -0.299 25868 7616 1 15 . 1 1 52 52 ALA C C 52 178.067 178.067 179.721 -1.654 25868 7617 1 15 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.008 1.100 25868 7618 1 15 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.745 -1.492 25868 7619 1 15 . 1 1 52 52 ALA H H 52 8.483 8.483 7.864 0.619 25868 7620 1 15 . 1 1 53 53 ILE N N 53 116.864 116.864 118.795 -1.931 25868 7621 1 15 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.078 0.105 25868 7622 1 15 . 1 1 53 53 ILE C C 53 178.323 178.323 177.598 0.725 25868 7623 1 15 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.040 0.725 25868 7624 1 15 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.521 0.955 25868 7625 1 15 . 1 1 53 53 ILE H H 53 8.033 8.033 7.819 0.214 25868 7626 1 15 . 1 1 54 54 VAL N N 54 119.604 119.604 119.695 -0.091 25868 7627 1 15 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.508 -0.017 25868 7628 1 15 . 1 1 54 54 VAL C C 54 178.200 178.200 177.960 0.240 25868 7629 1 15 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.114 0.262 25868 7630 1 15 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.363 0.045 25868 7631 1 15 . 1 1 54 54 VAL H H 54 7.126 7.126 7.064 0.062 25868 7632 1 15 . 1 1 55 55 PHE N N 55 118.386 118.386 118.060 0.326 25868 7633 1 15 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.157 0.379 25868 7634 1 15 . 1 1 55 55 PHE C C 55 178.571 178.571 177.693 0.878 25868 7635 1 15 . 1 1 55 55 PHE CA C 55 59.487 59.487 60.837 -1.350 25868 7636 1 15 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.830 0.327 25868 7637 1 15 . 1 1 55 55 PHE H H 55 9.061 9.061 8.158 0.903 25868 7638 1 15 . 1 1 56 56 TYR N N 56 119.488 119.488 120.970 -1.482 25868 7639 1 15 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.955 0.396 25868 7640 1 15 . 1 1 56 56 TYR C C 56 178.871 178.871 176.859 2.012 25868 7641 1 15 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.262 -1.768 25868 7642 1 15 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.242 -0.439 25868 7643 1 15 . 1 1 56 56 TYR H H 56 8.975 8.975 7.880 1.095 25868 7644 1 15 . 1 1 57 57 LYS N N 57 121.083 121.083 116.877 4.206 25868 7645 1 15 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.512 -0.049 25868 7646 1 15 . 1 1 57 57 LYS C C 57 178.103 178.103 178.038 0.065 25868 7647 1 15 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.448 0.397 25868 7648 1 15 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.996 -0.271 25868 7649 1 15 . 1 1 57 57 LYS H H 57 7.753 7.753 7.322 0.431 25868 7650 1 15 . 1 1 58 58 GLU N N 58 114.098 114.098 115.796 -1.698 25868 7651 1 15 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.310 -0.153 25868 7652 1 15 . 1 1 58 58 GLU C C 58 175.655 175.655 175.757 -0.102 25868 7653 1 15 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.654 -0.520 25868 7654 1 15 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.291 0.349 25868 7655 1 15 . 1 1 58 58 GLU H H 58 7.849 7.849 7.802 0.047 25868 7656 1 15 . 1 1 59 59 HIS N N 59 115.781 115.781 113.556 2.225 25868 7657 1 15 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.345 -0.135 25868 7658 1 15 . 1 1 59 59 HIS C C 59 173.784 173.784 174.555 -0.771 25868 7659 1 15 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.073 -0.662 25868 7660 1 15 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.402 -1.564 25868 7661 1 15 . 1 1 59 59 HIS H H 59 7.659 7.659 7.208 0.451 25868 7662 1 15 . 1 1 60 60 ASP N N 60 118.780 118.780 120.314 -1.534 25868 7663 1 15 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.729 0.130 25868 7664 1 15 . 1 1 60 60 ASP C C 60 175.847 175.847 176.932 -1.085 25868 7665 1 15 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.391 -1.588 25868 7666 1 15 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.436 -0.305 25868 7667 1 15 . 1 1 60 60 ASP H H 60 8.660 8.660 8.228 0.432 25868 7668 1 15 . 1 1 61 61 THR N N 61 118.884 118.884 118.441 0.443 25868 7669 1 15 . 1 1 61 61 THR HA H 61 3.763 3.763 3.947 -0.184 25868 7670 1 15 . 1 1 61 61 THR C C 61 175.886 175.886 175.957 -0.071 25868 7671 1 15 . 1 1 61 61 THR CA C 61 66.159 66.159 66.578 -0.419 25868 7672 1 15 . 1 1 61 61 THR CB C 61 68.168 68.168 68.698 -0.531 25868 7673 1 15 . 1 1 61 61 THR H H 61 7.955 7.955 7.908 0.047 25868 7674 1 15 . 1 1 62 62 ASP N N 62 121.668 121.668 123.406 -1.738 25868 7675 1 15 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.280 -0.018 25868 7676 1 15 . 1 1 62 62 ASP C C 62 178.461 178.461 178.388 0.073 25868 7677 1 15 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.877 -0.428 25868 7678 1 15 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.010 0.925 25868 7679 1 15 . 1 1 62 62 ASP H H 62 8.298 8.298 8.376 -0.078 25868 7680 1 15 . 1 1 63 63 GLY N N 63 109.003 109.003 107.042 1.961 25868 7681 1 15 . 1 1 63 63 GLY C C 63 175.517 175.517 175.290 0.227 25868 7682 1 15 . 1 1 63 63 GLY CA C 63 46.059 46.059 45.688 0.370 25868 7683 1 15 . 1 1 63 63 GLY H H 63 8.018 8.018 7.796 0.222 25868 7684 1 15 . 1 1 64 64 LEU N N 64 122.504 122.504 122.877 -0.373 25868 7685 1 15 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.139 -0.057 25868 7686 1 15 . 1 1 64 64 LEU C C 64 177.333 177.333 178.395 -1.062 25868 7687 1 15 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.574 0.919 25868 7688 1 15 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.976 0.131 25868 7689 1 15 . 1 1 64 64 LEU H H 64 8.073 8.073 7.946 0.127 25868 7690 1 15 . 1 1 65 65 ARG N N 65 118.626 118.626 118.422 0.204 25868 7691 1 15 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.907 -0.015 25868 7692 1 15 . 1 1 65 65 ARG C C 65 179.045 179.045 178.403 0.642 25868 7693 1 15 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.949 -0.094 25868 7694 1 15 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.093 -0.158 25868 7695 1 15 . 1 1 65 65 ARG H H 65 8.491 8.491 7.979 0.512 25868 7696 1 15 . 1 1 66 66 ARG N N 66 119.009 119.009 118.811 0.198 25868 7697 1 15 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.968 -0.001 25868 7698 1 15 . 1 1 66 66 ARG C C 66 178.943 178.943 177.802 1.141 25868 7699 1 15 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.218 -0.005 25868 7700 1 15 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.953 -0.402 25868 7701 1 15 . 1 1 66 66 ARG H H 66 7.601 7.601 7.440 0.161 25868 7702 1 15 . 1 1 67 67 ALA N N 67 122.174 122.174 121.127 1.047 25868 7703 1 15 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.373 -0.196 25868 7704 1 15 . 1 1 67 67 ALA C C 67 178.654 178.654 179.443 -0.789 25868 7705 1 15 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.688 1.406 25868 7706 1 15 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.320 -0.441 25868 7707 1 15 . 1 1 67 67 ALA H H 67 8.681 8.681 8.176 0.505 25868 7708 1 15 . 1 1 68 68 ALA N N 68 119.208 119.208 121.573 -2.365 25868 7709 1 15 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.005 -0.054 25868 7710 1 15 . 1 1 68 68 ALA C C 68 179.562 179.562 179.496 0.066 25868 7711 1 15 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.003 0.562 25868 7712 1 15 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.223 -0.382 25868 7713 1 15 . 1 1 68 68 ALA H H 68 9.060 9.060 7.946 1.114 25868 7714 1 15 . 1 1 69 69 LYS N N 69 119.434 119.434 118.914 0.520 25868 7715 1 15 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.970 0.020 25868 7716 1 15 . 1 1 69 69 LYS C C 69 178.929 178.929 179.066 -0.137 25868 7717 1 15 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.124 0.411 25868 7718 1 15 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.094 0.016 25868 7719 1 15 . 1 1 69 69 LYS H H 69 7.997 7.997 7.996 0.001 25868 7720 1 15 . 1 1 70 70 SER N N 70 116.406 116.406 115.009 1.397 25868 7721 1 15 . 1 1 70 70 SER HA H 70 3.908 3.908 4.053 -0.145 25868 7722 1 15 . 1 1 70 70 SER C C 70 175.957 175.957 176.237 -0.280 25868 7723 1 15 . 1 1 70 70 SER CA C 70 62.776 62.776 61.186 1.590 25868 7724 1 15 . 1 1 70 70 SER CB C 70 60.389 60.389 62.375 -1.986 25868 7725 1 15 . 1 1 70 70 SER H H 70 8.105 8.105 7.820 0.285 25868 7726 1 15 . 1 1 71 71 LEU N N 71 123.712 123.712 123.245 0.467 25868 7727 1 15 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.162 -0.081 25868 7728 1 15 . 1 1 71 71 LEU C C 71 176.893 176.893 178.084 -1.191 25868 7729 1 15 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.269 0.708 25868 7730 1 15 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.999 0.445 25868 7731 1 15 . 1 1 71 71 LEU H H 71 8.315 8.315 7.894 0.421 25868 7732 1 15 . 1 1 72 72 LYS N N 72 117.431 117.431 117.581 -0.150 25868 7733 1 15 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.025 -0.163 25868 7734 1 15 . 1 1 72 72 LYS C C 72 179.617 179.617 178.927 0.690 25868 7735 1 15 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.509 0.031 25868 7736 1 15 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.923 0.067 25868 7737 1 15 . 1 1 72 72 LYS H H 72 7.785 7.785 7.600 0.185 25868 7738 1 15 . 1 1 73 73 GLU N N 73 117.402 117.402 120.229 -2.827 25868 7739 1 15 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.249 -0.230 25868 7740 1 15 . 1 1 73 73 GLU C C 73 178.475 178.475 178.861 -0.386 25868 7741 1 15 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.409 0.236 25868 7742 1 15 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.506 -0.097 25868 7743 1 15 . 1 1 73 73 GLU H H 73 7.920 7.920 7.831 0.089 25868 7744 1 15 . 1 1 74 74 ALA N N 74 122.211 122.211 122.479 -0.268 25868 7745 1 15 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.414 -0.095 25868 7746 1 15 . 1 1 74 74 ALA C C 74 178.839 178.839 179.147 -0.308 25868 7747 1 15 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.691 -0.313 25868 7748 1 15 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.995 -1.465 25868 7749 1 15 . 1 1 74 74 ALA H H 74 8.010 8.010 7.761 0.249 25868 7750 1 15 . 1 1 75 75 ILE N N 75 113.486 113.486 117.946 -4.460 25868 7751 1 15 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.804 -0.389 25868 7752 1 15 . 1 1 75 75 ILE C C 75 177.333 177.333 177.592 -0.259 25868 7753 1 15 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.645 1.169 25868 7754 1 15 . 1 1 75 75 ILE CB C 75 38.197 38.197 38.208 -0.011 25868 7755 1 15 . 1 1 75 75 ILE H H 75 7.405 7.405 7.686 -0.281 25868 7756 1 15 . 1 1 76 76 THR N N 76 105.977 105.977 112.412 -6.435 25868 7757 1 15 . 1 1 76 76 THR HA H 76 3.963 3.963 4.120 -0.157 25868 7758 1 15 . 1 1 76 76 THR C C 76 174.609 174.609 175.386 -0.777 25868 7759 1 15 . 1 1 76 76 THR CA C 76 63.773 63.773 64.289 -0.516 25868 7760 1 15 . 1 1 76 76 THR CB C 76 68.757 68.757 68.912 -0.155 25868 7761 1 15 . 1 1 76 76 THR H H 76 7.217 7.217 7.917 -0.700 25868 7762 1 15 . 1 1 77 77 ALA N N 77 122.534 122.534 123.265 -0.731 25868 7763 1 15 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.369 0.048 25868 7764 1 15 . 1 1 77 77 ALA C C 77 177.085 177.085 177.904 -0.819 25868 7765 1 15 . 1 1 77 77 ALA CA C 77 51.628 51.628 52.541 -0.913 25868 7766 1 15 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.010 0.771 25868 7767 1 15 . 1 1 77 77 ALA H H 77 7.486 7.486 7.344 0.142 25868 7768 1 15 . 1 1 78 78 ILE N N 78 123.223 123.223 120.319 2.904 25868 7769 1 15 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.115 0.097 25868 7770 1 15 . 1 1 78 78 ILE C C 78 174.939 174.939 175.758 -0.819 25868 7771 1 15 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.106 0.692 25868 7772 1 15 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.621 1.995 25868 7773 1 15 . 1 1 78 78 ILE H H 78 7.428 7.428 7.115 0.313 25868 7774 1 15 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.257 0.181 25868 7775 1 15 . 1 1 79 79 PRO CA C 79 64.085 64.085 65.471 -1.385 25868 7776 1 15 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.329 -0.020 25868 7777 1 15 . 1 1 83 83 GLY N N 83 105.726 105.726 105.881 -0.155 25868 7778 1 15 . 1 1 83 83 GLY C C 83 175.765 175.765 173.683 2.082 25868 7779 1 15 . 1 1 83 83 GLY CA C 83 46.491 46.491 44.847 1.644 25868 7780 1 15 . 1 1 83 83 GLY H H 83 7.613 7.613 7.778 -0.165 25868 7781 1 15 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.928 -0.044 25868 7782 1 15 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.001 2.320 25868 7783 1 15 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.645 1.182 25868 7784 1 15 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.084 -0.100 25868 7785 1 15 . 1 1 86 86 GLU C C 86 179.163 179.163 178.664 0.499 25868 7786 1 15 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.910 0.286 25868 7787 1 15 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.521 -0.593 25868 7788 1 15 . 1 1 86 86 GLU H H 86 7.965 7.965 7.956 0.009 25868 7789 1 15 . 1 1 87 87 ALA N N 87 122.092 122.092 122.147 -0.055 25868 7790 1 15 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.010 0.189 25868 7791 1 15 . 1 1 87 87 ALA C C 87 178.980 178.980 179.075 -0.095 25868 7792 1 15 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.665 0.004 25868 7793 1 15 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.306 0.107 25868 7794 1 15 . 1 1 87 87 ALA H H 87 8.108 8.108 7.513 0.595 25868 7795 1 15 . 1 1 88 88 LYS N N 88 118.808 118.808 119.862 -1.054 25868 7796 1 15 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.968 -0.075 25868 7797 1 15 . 1 1 88 88 LYS C C 88 179.341 179.341 177.771 1.570 25868 7798 1 15 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.789 1.214 25868 7799 1 15 . 1 1 88 88 LYS CB C 88 32.226 32.226 31.447 0.779 25868 7800 1 15 . 1 1 88 88 LYS H H 88 8.501 8.501 8.074 0.427 25868 7801 1 15 . 1 1 89 89 GLU N N 89 119.454 119.454 118.972 0.482 25868 7802 1 15 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.014 -0.019 25868 7803 1 15 . 1 1 89 89 GLU C C 89 179.017 179.017 178.809 0.208 25868 7804 1 15 . 1 1 89 89 GLU CA C 89 58.943 58.943 59.134 -0.191 25868 7805 1 15 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.261 -0.429 25868 7806 1 15 . 1 1 89 89 GLU H H 89 7.544 7.544 7.573 -0.029 25868 7807 1 15 . 1 1 90 90 MET N N 90 119.262 119.262 117.345 1.917 25868 7808 1 15 . 1 1 90 90 MET HA H 90 3.284 3.284 3.873 -0.589 25868 7809 1 15 . 1 1 90 90 MET C C 90 177.003 177.003 177.992 -0.989 25868 7810 1 15 . 1 1 90 90 MET CA C 90 59.168 59.168 58.337 0.831 25868 7811 1 15 . 1 1 90 90 MET CB C 90 33.468 33.468 31.955 1.513 25868 7812 1 15 . 1 1 90 90 MET H H 90 7.600 7.600 7.566 0.034 25868 7813 1 15 . 1 1 91 91 ALA N N 91 120.041 120.041 122.386 -2.345 25868 7814 1 15 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.966 -0.098 25868 7815 1 15 . 1 1 91 91 ALA C C 91 179.039 179.039 179.044 -0.005 25868 7816 1 15 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.260 -0.230 25868 7817 1 15 . 1 1 91 91 ALA CB C 91 18.084 18.084 17.985 0.099 25868 7818 1 15 . 1 1 91 91 ALA H H 91 8.212 8.212 7.661 0.551 25868 7819 1 15 . 1 1 92 92 LYS N N 92 118.442 118.442 118.556 -0.114 25868 7820 1 15 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.033 -0.111 25868 7821 1 15 . 1 1 92 92 LYS C C 92 178.874 178.874 178.653 0.221 25868 7822 1 15 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.127 -0.006 25868 7823 1 15 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.249 -0.006 25868 7824 1 15 . 1 1 92 92 LYS H H 92 7.819 7.819 7.474 0.345 25868 7825 1 15 . 1 1 93 93 LYS N N 93 119.228 119.228 118.369 0.859 25868 7826 1 15 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.587 -0.010 25868 7827 1 15 . 1 1 93 93 LYS C C 93 176.618 176.618 178.262 -1.644 25868 7828 1 15 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.634 -0.508 25868 7829 1 15 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.685 -0.540 25868 7830 1 15 . 1 1 93 93 LYS H H 93 7.449 7.449 7.566 -0.117 25868 7831 1 15 . 1 1 94 94 ALA N N 94 117.825 117.825 120.515 -2.690 25868 7832 1 15 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.968 -0.187 25868 7833 1 15 . 1 1 94 94 ALA C C 94 178.736 178.736 179.686 -0.950 25868 7834 1 15 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.014 -0.136 25868 7835 1 15 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.423 -1.180 25868 7836 1 15 . 1 1 94 94 ALA H H 94 7.698 7.698 7.767 -0.069 25868 7837 1 15 . 1 1 95 95 GLU N N 95 115.361 115.361 118.455 -3.094 25868 7838 1 15 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.028 -0.119 25868 7839 1 15 . 1 1 95 95 GLU C C 95 178.984 178.984 179.157 -0.173 25868 7840 1 15 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.310 0.070 25868 7841 1 15 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.508 -0.032 25868 7842 1 15 . 1 1 95 95 GLU H H 95 7.907 7.907 7.574 0.333 25868 7843 1 15 . 1 1 96 96 GLU N N 96 121.608 121.608 120.212 1.396 25868 7844 1 15 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.296 -0.347 25868 7845 1 15 . 1 1 96 96 GLU C C 96 180.249 180.249 179.196 1.053 25868 7846 1 15 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.950 0.247 25868 7847 1 15 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.182 -0.302 25868 7848 1 15 . 1 1 96 96 GLU H H 96 7.815 7.815 7.992 -0.177 25868 7849 1 15 . 1 1 97 97 TRP N N 97 122.511 122.511 119.637 2.874 25868 7850 1 15 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.380 0.018 25868 7851 1 15 . 1 1 97 97 TRP C C 97 178.007 178.007 178.789 -0.782 25868 7852 1 15 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.943 -1.207 25868 7853 1 15 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.253 -0.275 25868 7854 1 15 . 1 1 97 97 TRP H H 97 8.069 8.069 8.155 -0.086 25868 7855 1 15 . 1 1 98 98 LEU N N 98 119.235 119.235 120.490 -1.255 25868 7856 1 15 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.076 0.007 25868 7857 1 15 . 1 1 98 98 LEU C C 98 178.599 178.599 178.980 -0.381 25868 7858 1 15 . 1 1 98 98 LEU CA C 98 57.654 57.654 57.926 -0.272 25868 7859 1 15 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.691 0.274 25868 7860 1 15 . 1 1 98 98 LEU H H 98 8.077 8.077 7.867 0.210 25868 7861 1 15 . 1 1 99 99 GLN N N 99 117.609 117.609 119.018 -1.409 25868 7862 1 15 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.348 -0.232 25868 7863 1 15 . 1 1 99 99 GLN C C 99 177.636 177.636 178.354 -0.718 25868 7864 1 15 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.519 -0.799 25868 7865 1 15 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.707 -0.461 25868 7866 1 15 . 1 1 99 99 GLN H H 99 8.077 8.077 7.950 0.127 25868 7867 1 15 . 1 1 100 100 ALA N N 100 122.106 122.106 121.291 0.815 25868 7868 1 15 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.203 0.102 25868 7869 1 15 . 1 1 100 100 ALA C C 100 179.424 179.424 179.261 0.163 25868 7870 1 15 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.307 -0.254 25868 7871 1 15 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.946 -0.393 25868 7872 1 15 . 1 1 100 100 ALA H H 100 7.944 7.944 7.801 0.143 25868 7873 1 15 . 1 1 101 101 GLU N N 101 117.817 117.817 116.533 1.284 25868 7874 1 15 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.435 -0.079 25868 7875 1 15 . 1 1 101 101 GLU C C 101 177.415 177.415 176.782 0.633 25868 7876 1 15 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.575 -0.562 25868 7877 1 15 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.929 -0.530 25868 7878 1 15 . 1 1 101 101 GLU H H 101 8.162 8.162 7.880 0.282 25868 7879 1 15 . 1 1 102 102 GLN N N 102 118.194 118.194 118.000 0.194 25868 7880 1 15 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.545 -0.211 25868 7881 1 15 . 1 1 102 102 GLN C C 102 175.755 175.755 174.486 1.269 25868 7882 1 15 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.198 1.129 25868 7883 1 15 . 1 1 102 102 GLN CB C 102 29.294 29.294 30.277 -0.983 25868 7884 1 15 . 1 1 102 102 GLN H H 102 8.094 8.094 8.003 0.091 25868 7885 1 15 . 1 1 103 103 ASN N N 103 119.032 119.032 120.896 -1.864 25868 7886 1 15 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.375 0.415 25868 7887 1 15 . 1 1 103 103 ASN C C 103 173.949 173.949 174.167 -0.218 25868 7888 1 15 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.925 -0.896 25868 7889 1 15 . 1 1 103 103 ASN CB C 103 39.050 39.050 37.381 1.669 25868 7890 1 15 . 1 1 103 103 ASN H H 103 8.149 8.149 8.891 -0.742 25868 7891 1 16 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.462 0.112 25868 7892 1 16 . 1 1 2 2 ASP C C 2 176.630 176.630 176.821 -0.191 25868 7893 1 16 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.446 0.596 25868 7894 1 16 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.909 -0.008 25868 7895 1 16 . 1 1 3 3 GLU N N 3 121.683 121.683 121.153 0.530 25868 7896 1 16 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.974 0.206 25868 7897 1 16 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.302 -1.406 25868 7898 1 16 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.425 -0.018 25868 7899 1 16 . 1 1 3 3 GLU H H 3 8.889 8.889 8.750 0.139 25868 7900 1 16 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.209 0.236 25868 7901 1 16 . 1 1 4 4 ASN C C 4 176.095 176.095 177.503 -1.408 25868 7902 1 16 . 1 1 4 4 ASN CA C 4 54.645 54.645 56.188 -1.543 25868 7903 1 16 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.966 -0.160 25868 7904 1 16 . 1 1 5 5 ILE N N 5 119.355 119.355 119.867 -0.512 25868 7905 1 16 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.560 0.317 25868 7906 1 16 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.165 -1.084 25868 7907 1 16 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.730 -0.039 25868 7908 1 16 . 1 1 5 5 ILE H H 5 8.018 8.018 7.588 0.430 25868 7909 1 16 . 1 1 6 6 ALA N N 6 123.430 123.430 121.581 1.849 25868 7910 1 16 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.340 -0.091 25868 7911 1 16 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.524 -0.353 25868 7912 1 16 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.375 -0.131 25868 7913 1 16 . 1 1 6 6 ALA H H 6 8.041 8.041 8.208 -0.167 25868 7914 1 16 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.013 0.017 25868 7915 1 16 . 1 1 7 7 LYS C C 7 178.778 178.778 178.728 0.050 25868 7916 1 16 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.934 -0.180 25868 7917 1 16 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.894 0.119 25868 7918 1 16 . 1 1 8 8 PHE N N 8 120.439 120.439 117.370 3.069 25868 7919 1 16 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.260 0.414 25868 7920 1 16 . 1 1 8 8 PHE C C 8 177.470 177.470 178.459 -0.989 25868 7921 1 16 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.734 -0.579 25868 7922 1 16 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.237 1.039 25868 7923 1 16 . 1 1 8 8 PHE H H 8 7.908 7.908 7.361 0.547 25868 7924 1 16 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.140 -0.011 25868 7925 1 16 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.825 0.287 25868 7926 1 16 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.501 0.293 25868 7927 1 16 . 1 1 11 11 ALA N N 11 122.712 122.712 119.599 3.113 25868 7928 1 16 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.382 -0.176 25868 7929 1 16 . 1 1 11 11 ALA CA C 11 54.170 54.170 52.333 1.837 25868 7930 1 16 . 1 1 11 11 ALA CB C 11 18.261 18.261 20.041 -1.780 25868 7931 1 16 . 1 1 11 11 ALA H H 11 7.945 7.945 7.644 0.301 25868 7932 1 16 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.610 -0.489 25868 7933 1 16 . 1 1 12 12 TYR CA C 12 59.166 59.166 57.825 1.341 25868 7934 1 16 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.032 -2.032 25868 7935 1 16 . 1 1 13 13 LYS N N 13 120.452 120.452 125.479 -5.027 25868 7936 1 16 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.268 -0.228 25868 7937 1 16 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.022 3.791 25868 7938 1 16 . 1 1 13 13 LYS CB C 13 32.327 32.327 34.826 -2.499 25868 7939 1 16 . 1 1 13 13 LYS H H 13 8.017 8.017 7.922 0.095 25868 7940 1 16 . 1 1 14 14 LYS HA H 14 4.154 4.154 3.782 0.372 25868 7941 1 16 . 1 1 14 14 LYS CA C 14 57.675 57.675 58.201 -0.526 25868 7942 1 16 . 1 1 14 14 LYS CB C 14 32.196 32.196 30.893 1.303 25868 7943 1 16 . 1 1 14 14 LYS H H 14 8.011 8.011 8.523 -0.512 25868 7944 1 16 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.161 0.111 25868 7945 1 16 . 1 1 15 15 ALA C C 15 179.056 179.056 176.910 2.146 25868 7946 1 16 . 1 1 15 15 ALA CA C 15 53.971 53.971 53.005 0.966 25868 7947 1 16 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.136 -0.452 25868 7948 1 16 . 1 1 16 16 GLU N N 16 120.136 120.136 124.664 -4.528 25868 7949 1 16 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.377 -0.162 25868 7950 1 16 . 1 1 16 16 GLU C C 16 179.176 179.176 176.099 3.077 25868 7951 1 16 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.956 0.543 25868 7952 1 16 . 1 1 16 16 GLU CB C 16 29.915 29.915 31.375 -1.460 25868 7953 1 16 . 1 1 16 16 GLU H H 16 8.599 8.599 8.950 -0.351 25868 7954 1 16 . 1 1 17 17 GLU N N 17 120.683 120.683 117.512 3.171 25868 7955 1 16 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.417 -0.343 25868 7956 1 16 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.067 2.037 25868 7957 1 16 . 1 1 17 17 GLU CB C 17 29.718 29.718 31.385 -1.667 25868 7958 1 16 . 1 1 17 17 GLU H H 17 8.009 8.009 8.264 -0.255 25868 7959 1 16 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.208 0.122 25868 7960 1 16 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.767 -0.269 25868 7961 1 16 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.028 -1.059 25868 7962 1 16 . 1 1 18 18 LEU H H 18 7.614 7.614 7.995 -0.381 25868 7963 1 16 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.681 -0.272 25868 7964 1 16 . 1 1 19 19 ASN C C 19 174.609 174.609 174.543 0.066 25868 7965 1 16 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.340 0.336 25868 7966 1 16 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.302 0.523 25868 7967 1 16 . 1 1 20 20 GLN N N 20 118.736 118.736 119.229 -0.493 25868 7968 1 16 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.600 -0.140 25868 7969 1 16 . 1 1 20 20 GLN C C 20 176.659 176.659 173.663 2.996 25868 7970 1 16 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.195 -0.507 25868 7971 1 16 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.618 -1.454 25868 7972 1 16 . 1 1 20 20 GLN H H 20 8.340 8.340 8.041 0.299 25868 7973 1 16 . 1 1 21 21 GLY N N 21 111.864 111.864 108.509 3.355 25868 7974 1 16 . 1 1 21 21 GLY CA C 21 47.053 47.053 44.590 2.463 25868 7975 1 16 . 1 1 21 21 GLY H H 21 8.455 8.455 7.828 0.627 25868 7976 1 16 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.479 -0.216 25868 7977 1 16 . 1 1 23 23 LEU C C 23 179.620 179.620 177.002 2.618 25868 7978 1 16 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.600 0.794 25868 7979 1 16 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.734 -1.183 25868 7980 1 16 . 1 1 24 24 MET N N 24 120.657 120.657 117.214 3.443 25868 7981 1 16 . 1 1 24 24 MET HA H 24 4.077 4.077 4.743 -0.666 25868 7982 1 16 . 1 1 24 24 MET CB C 24 34.035 34.035 34.861 -0.826 25868 7983 1 16 . 1 1 24 24 MET H H 24 8.219 8.219 7.582 0.637 25868 7984 1 16 . 1 1 25 25 GLY N N 25 106.956 106.956 106.927 0.029 25868 7985 1 16 . 1 1 25 25 GLY C C 25 175.016 175.016 175.616 -0.600 25868 7986 1 16 . 1 1 25 25 GLY CA C 25 47.771 47.771 45.866 1.905 25868 7987 1 16 . 1 1 25 25 GLY H H 25 8.589 8.589 8.675 -0.086 25868 7988 1 16 . 1 1 26 26 ARG N N 26 119.970 119.970 121.688 -1.718 25868 7989 1 16 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.523 -0.307 25868 7990 1 16 . 1 1 26 26 ARG C C 26 177.966 177.966 177.927 0.039 25868 7991 1 16 . 1 1 26 26 ARG CA C 26 59.727 59.727 58.758 0.969 25868 7992 1 16 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.060 0.203 25868 7993 1 16 . 1 1 26 26 ARG H H 26 8.297 8.297 8.465 -0.168 25868 7994 1 16 . 1 1 27 27 ALA N N 27 121.499 121.499 122.587 -1.088 25868 7995 1 16 . 1 1 27 27 ALA HA H 27 4.264 4.264 3.997 0.267 25868 7996 1 16 . 1 1 27 27 ALA C C 27 179.878 179.878 179.266 0.612 25868 7997 1 16 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.496 1.204 25868 7998 1 16 . 1 1 27 27 ALA CB C 27 18.323 18.323 17.695 0.628 25868 7999 1 16 . 1 1 27 27 ALA H H 27 7.816 7.816 8.240 -0.424 25868 8000 1 16 . 1 1 28 28 LEU N N 28 117.285 117.285 118.598 -1.313 25868 8001 1 16 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.624 0.403 25868 8002 1 16 . 1 1 28 28 LEU C C 28 178.158 178.158 178.012 0.146 25868 8003 1 16 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.161 0.933 25868 8004 1 16 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.331 0.923 25868 8005 1 16 . 1 1 28 28 LEU H H 28 8.066 8.066 7.397 0.669 25868 8006 1 16 . 1 1 29 29 TYR N N 29 119.594 119.594 119.071 0.523 25868 8007 1 16 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.293 -0.299 25868 8008 1 16 . 1 1 29 29 TYR C C 29 176.382 176.382 177.558 -1.176 25868 8009 1 16 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.950 0.717 25868 8010 1 16 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.410 0.500 25868 8011 1 16 . 1 1 29 29 TYR H H 29 8.568 8.568 7.910 0.658 25868 8012 1 16 . 1 1 30 30 ASN N N 30 116.978 116.978 116.823 0.155 25868 8013 1 16 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.363 -0.102 25868 8014 1 16 . 1 1 30 30 ASN C C 30 178.521 178.521 177.556 0.965 25868 8015 1 16 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.623 -0.699 25868 8016 1 16 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.225 -1.762 25868 8017 1 16 . 1 1 30 30 ASN H H 30 8.290 8.290 7.596 0.694 25868 8018 1 16 . 1 1 31 31 ILE N N 31 122.107 122.107 120.687 1.420 25868 8019 1 16 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.913 -0.556 25868 8020 1 16 . 1 1 31 31 ILE C C 31 178.007 178.007 177.820 0.187 25868 8021 1 16 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.392 0.805 25868 8022 1 16 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.509 0.177 25868 8023 1 16 . 1 1 31 31 ILE H H 31 8.006 8.006 7.631 0.375 25868 8024 1 16 . 1 1 32 32 GLY N N 32 107.810 107.810 107.599 0.211 25868 8025 1 16 . 1 1 32 32 GLY C C 32 175.187 175.187 175.778 -0.591 25868 8026 1 16 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.830 1.690 25868 8027 1 16 . 1 1 32 32 GLY H H 32 7.880 7.880 7.955 -0.075 25868 8028 1 16 . 1 1 33 33 LEU N N 33 120.587 120.587 122.879 -2.292 25868 8029 1 16 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.042 0.014 25868 8030 1 16 . 1 1 33 33 LEU C C 33 180.635 180.635 179.321 1.314 25868 8031 1 16 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.872 0.279 25868 8032 1 16 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.689 -0.012 25868 8033 1 16 . 1 1 33 33 LEU H H 33 8.117 8.117 7.655 0.462 25868 8034 1 16 . 1 1 34 34 GLU N N 34 120.332 120.332 117.951 2.381 25868 8035 1 16 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.071 -0.098 25868 8036 1 16 . 1 1 34 34 GLU C C 34 179.479 179.479 179.435 0.044 25868 8037 1 16 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.005 -0.143 25868 8038 1 16 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.011 0.140 25868 8039 1 16 . 1 1 34 34 GLU H H 34 7.763 7.763 8.017 -0.254 25868 8040 1 16 . 1 1 35 35 LYS N N 35 118.642 118.642 119.255 -0.613 25868 8041 1 16 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.899 0.014 25868 8042 1 16 . 1 1 35 35 LYS C C 35 179.149 179.149 178.759 0.390 25868 8043 1 16 . 1 1 35 35 LYS CA C 35 57.842 57.842 59.935 -2.093 25868 8044 1 16 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.195 -1.481 25868 8045 1 16 . 1 1 35 35 LYS H H 35 8.573 8.573 7.862 0.711 25868 8046 1 16 . 1 1 36 36 ASN N N 36 119.047 119.047 117.259 1.788 25868 8047 1 16 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.466 -0.158 25868 8048 1 16 . 1 1 36 36 ASN C C 36 179.782 179.782 177.379 2.403 25868 8049 1 16 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.540 0.119 25868 8050 1 16 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.333 -0.141 25868 8051 1 16 . 1 1 36 36 ASN H H 36 8.348 8.348 8.136 0.212 25868 8052 1 16 . 1 1 37 37 LYS N N 37 121.477 121.477 118.642 2.835 25868 8053 1 16 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.107 -0.023 25868 8054 1 16 . 1 1 37 37 LYS C C 37 177.938 177.938 178.212 -0.274 25868 8055 1 16 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.351 0.939 25868 8056 1 16 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.448 -0.239 25868 8057 1 16 . 1 1 37 37 LYS H H 37 7.956 7.956 7.845 0.111 25868 8058 1 16 . 1 1 38 38 MET N N 38 114.976 114.976 116.633 -1.657 25868 8059 1 16 . 1 1 38 38 MET HA H 38 4.519 4.519 4.460 0.059 25868 8060 1 16 . 1 1 38 38 MET C C 38 175.847 175.847 176.849 -1.002 25868 8061 1 16 . 1 1 38 38 MET CA C 38 55.264 55.264 56.124 -0.860 25868 8062 1 16 . 1 1 38 38 MET CB C 38 33.388 33.388 33.427 -0.039 25868 8063 1 16 . 1 1 38 38 MET H H 38 7.394 7.394 7.608 -0.214 25868 8064 1 16 . 1 1 39 39 GLY N N 39 107.575 107.575 106.559 1.016 25868 8065 1 16 . 1 1 39 39 GLY C C 39 174.994 174.994 175.112 -0.118 25868 8066 1 16 . 1 1 39 39 GLY CA C 39 45.751 45.751 44.825 0.926 25868 8067 1 16 . 1 1 39 39 GLY H H 39 7.906 7.906 7.413 0.493 25868 8068 1 16 . 1 1 40 40 LYS N N 40 122.563 122.563 121.705 0.858 25868 8069 1 16 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.468 0.268 25868 8070 1 16 . 1 1 40 40 LYS C C 40 175.847 175.847 175.694 0.153 25868 8071 1 16 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.120 -0.740 25868 8072 1 16 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.012 0.410 25868 8073 1 16 . 1 1 40 40 LYS H H 40 7.958 7.958 8.359 -0.401 25868 8074 1 16 . 1 1 41 41 ALA N N 41 123.662 123.662 122.698 0.964 25868 8075 1 16 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.056 0.079 25868 8076 1 16 . 1 1 41 41 ALA C C 41 178.736 178.736 178.746 -0.010 25868 8077 1 16 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.961 0.768 25868 8078 1 16 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.793 1.173 25868 8079 1 16 . 1 1 41 41 ALA H H 41 7.487 7.487 7.520 -0.033 25868 8080 1 16 . 1 1 42 42 ARG N N 42 118.612 118.612 118.534 0.078 25868 8081 1 16 . 1 1 42 42 ARG HA H 42 4.000 4.000 3.963 0.037 25868 8082 1 16 . 1 1 42 42 ARG C C 42 178.901 178.901 178.115 0.786 25868 8083 1 16 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.034 -0.237 25868 8084 1 16 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.398 -0.524 25868 8085 1 16 . 1 1 42 42 ARG H H 42 8.864 8.864 8.650 0.214 25868 8086 1 16 . 1 1 43 43 GLU N N 43 120.194 120.194 118.859 1.335 25868 8087 1 16 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.890 0.233 25868 8088 1 16 . 1 1 43 43 GLU C C 43 178.901 178.901 178.439 0.462 25868 8089 1 16 . 1 1 43 43 GLU CA C 43 59.438 59.438 58.958 0.480 25868 8090 1 16 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.998 0.936 25868 8091 1 16 . 1 1 43 43 GLU H H 43 8.062 8.062 7.859 0.203 25868 8092 1 16 . 1 1 44 44 ALA N N 44 121.369 121.369 121.647 -0.278 25868 8093 1 16 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.434 0.139 25868 8094 1 16 . 1 1 44 44 ALA C C 44 177.911 177.911 178.994 -1.083 25868 8095 1 16 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.804 0.958 25868 8096 1 16 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.113 0.435 25868 8097 1 16 . 1 1 44 44 ALA H H 44 8.627 8.627 7.838 0.789 25868 8098 1 16 . 1 1 45 45 ALA N N 45 117.108 117.108 120.792 -3.684 25868 8099 1 16 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.169 -0.084 25868 8100 1 16 . 1 1 45 45 ALA C C 45 178.078 178.078 179.645 -1.567 25868 8101 1 16 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.249 0.327 25868 8102 1 16 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.085 -0.645 25868 8103 1 16 . 1 1 45 45 ALA H H 45 8.310 8.310 7.977 0.333 25868 8104 1 16 . 1 1 46 46 GLU N N 46 115.941 115.941 118.872 -2.931 25868 8105 1 16 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.233 -0.314 25868 8106 1 16 . 1 1 46 46 GLU C C 46 179.341 179.341 179.378 -0.037 25868 8107 1 16 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.503 0.254 25868 8108 1 16 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.228 -0.091 25868 8109 1 16 . 1 1 46 46 GLU H H 46 7.451 7.451 8.141 -0.690 25868 8110 1 16 . 1 1 47 47 TYR N N 47 117.925 117.925 119.572 -1.647 25868 8111 1 16 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.341 -0.496 25868 8112 1 16 . 1 1 47 47 TYR C C 47 178.544 178.544 178.434 0.110 25868 8113 1 16 . 1 1 47 47 TYR CA C 47 64.664 64.664 59.767 4.897 25868 8114 1 16 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.847 -0.533 25868 8115 1 16 . 1 1 47 47 TYR H H 47 7.746 7.746 7.861 -0.115 25868 8116 1 16 . 1 1 48 48 PHE N N 48 118.758 118.758 118.635 0.123 25868 8117 1 16 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.467 0.281 25868 8118 1 16 . 1 1 48 48 PHE C C 48 178.227 178.227 178.116 0.111 25868 8119 1 16 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.134 -0.581 25868 8120 1 16 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.308 -0.159 25868 8121 1 16 . 1 1 48 48 PHE H H 48 9.054 9.054 8.457 0.597 25868 8122 1 16 . 1 1 49 49 PHE N N 49 120.234 120.234 122.336 -2.102 25868 8123 1 16 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.296 0.202 25868 8124 1 16 . 1 1 49 49 PHE C C 49 176.645 176.645 177.200 -0.555 25868 8125 1 16 . 1 1 49 49 PHE CA C 49 61.221 61.221 62.185 -0.964 25868 8126 1 16 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.320 0.969 25868 8127 1 16 . 1 1 49 49 PHE H H 49 8.981 8.981 8.398 0.583 25868 8128 1 16 . 1 1 50 50 ARG N N 50 117.925 117.925 119.058 -1.133 25868 8129 1 16 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.867 -0.087 25868 8130 1 16 . 1 1 50 50 ARG C C 50 179.369 179.369 178.587 0.782 25868 8131 1 16 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.826 0.003 25868 8132 1 16 . 1 1 50 50 ARG CB C 50 30.523 30.523 30.127 0.396 25868 8133 1 16 . 1 1 50 50 ARG H H 50 8.450 8.450 8.319 0.131 25868 8134 1 16 . 1 1 51 51 ALA N N 51 120.897 120.897 121.283 -0.386 25868 8135 1 16 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.948 -0.232 25868 8136 1 16 . 1 1 51 51 ALA C C 51 177.085 177.085 179.187 -2.102 25868 8137 1 16 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.116 -0.018 25868 8138 1 16 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.443 -1.177 25868 8139 1 16 . 1 1 51 51 ALA H H 51 8.697 8.697 8.164 0.533 25868 8140 1 16 . 1 1 52 52 ALA N N 52 120.007 120.007 121.030 -1.023 25868 8141 1 16 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.258 -0.189 25868 8142 1 16 . 1 1 52 52 ALA C C 52 178.067 178.067 179.730 -1.663 25868 8143 1 16 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.154 0.954 25868 8144 1 16 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.604 -1.351 25868 8145 1 16 . 1 1 52 52 ALA H H 52 8.483 8.483 7.853 0.630 25868 8146 1 16 . 1 1 53 53 ILE N N 53 116.864 116.864 118.599 -1.735 25868 8147 1 16 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.166 0.017 25868 8148 1 16 . 1 1 53 53 ILE C C 53 178.323 178.323 177.847 0.476 25868 8149 1 16 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.052 0.713 25868 8150 1 16 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.603 0.873 25868 8151 1 16 . 1 1 53 53 ILE H H 53 8.033 8.033 7.688 0.345 25868 8152 1 16 . 1 1 54 54 VAL N N 54 119.604 119.604 120.392 -0.788 25868 8153 1 16 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.491 -0.000 25868 8154 1 16 . 1 1 54 54 VAL C C 54 178.200 178.200 178.150 0.050 25868 8155 1 16 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.835 -0.459 25868 8156 1 16 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.174 0.234 25868 8157 1 16 . 1 1 54 54 VAL H H 54 7.126 7.126 7.652 -0.526 25868 8158 1 16 . 1 1 55 55 PHE N N 55 118.386 118.386 118.723 -0.337 25868 8159 1 16 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.088 0.448 25868 8160 1 16 . 1 1 55 55 PHE C C 55 178.571 178.571 177.839 0.732 25868 8161 1 16 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.795 -2.308 25868 8162 1 16 . 1 1 55 55 PHE CB C 55 38.157 38.157 38.074 0.083 25868 8163 1 16 . 1 1 55 55 PHE H H 55 9.061 9.061 7.908 1.153 25868 8164 1 16 . 1 1 56 56 TYR N N 56 119.488 119.488 120.493 -1.005 25868 8165 1 16 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.905 0.446 25868 8166 1 16 . 1 1 56 56 TYR C C 56 178.871 178.871 177.210 1.661 25868 8167 1 16 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.177 -1.683 25868 8168 1 16 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.151 -0.348 25868 8169 1 16 . 1 1 56 56 TYR H H 56 8.975 8.975 8.356 0.619 25868 8170 1 16 . 1 1 57 57 LYS N N 57 121.083 121.083 117.394 3.689 25868 8171 1 16 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.573 -0.110 25868 8172 1 16 . 1 1 57 57 LYS C C 57 178.103 178.103 177.768 0.335 25868 8173 1 16 . 1 1 57 57 LYS CA C 57 58.845 58.845 57.797 1.048 25868 8174 1 16 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.953 -0.228 25868 8175 1 16 . 1 1 57 57 LYS H H 57 7.753 7.753 7.773 -0.020 25868 8176 1 16 . 1 1 58 58 GLU N N 58 114.098 114.098 115.346 -1.248 25868 8177 1 16 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.266 -0.109 25868 8178 1 16 . 1 1 58 58 GLU C C 58 175.655 175.655 176.757 -1.102 25868 8179 1 16 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.109 -0.975 25868 8180 1 16 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.240 -0.600 25868 8181 1 16 . 1 1 58 58 GLU H H 58 7.849 7.849 7.532 0.317 25868 8182 1 16 . 1 1 59 59 HIS N N 59 115.781 115.781 113.694 2.087 25868 8183 1 16 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.320 -0.110 25868 8184 1 16 . 1 1 59 59 HIS C C 59 173.784 173.784 173.891 -0.107 25868 8185 1 16 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.006 -0.595 25868 8186 1 16 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.907 -1.069 25868 8187 1 16 . 1 1 59 59 HIS H H 59 7.659 7.659 7.527 0.132 25868 8188 1 16 . 1 1 60 60 ASP N N 60 118.780 118.780 120.545 -1.765 25868 8189 1 16 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.700 0.159 25868 8190 1 16 . 1 1 60 60 ASP C C 60 175.847 175.847 177.078 -1.231 25868 8191 1 16 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.614 -1.811 25868 8192 1 16 . 1 1 60 60 ASP CB C 60 40.131 40.131 41.044 -0.913 25868 8193 1 16 . 1 1 60 60 ASP H H 60 8.660 8.660 8.274 0.386 25868 8194 1 16 . 1 1 61 61 THR N N 61 118.884 118.884 119.576 -0.692 25868 8195 1 16 . 1 1 61 61 THR HA H 61 3.763 3.763 4.039 -0.276 25868 8196 1 16 . 1 1 61 61 THR C C 61 175.886 175.886 176.188 -0.302 25868 8197 1 16 . 1 1 61 61 THR CA C 61 66.159 66.159 66.137 0.022 25868 8198 1 16 . 1 1 61 61 THR CB C 61 68.168 68.168 68.615 -0.447 25868 8199 1 16 . 1 1 61 61 THR H H 61 7.955 7.955 8.234 -0.279 25868 8200 1 16 . 1 1 62 62 ASP N N 62 121.668 121.668 121.993 -0.325 25868 8201 1 16 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.414 -0.152 25868 8202 1 16 . 1 1 62 62 ASP C C 62 178.461 178.461 178.289 0.172 25868 8203 1 16 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.433 0.016 25868 8204 1 16 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.133 0.803 25868 8205 1 16 . 1 1 62 62 ASP H H 62 8.298 8.298 8.389 -0.091 25868 8206 1 16 . 1 1 63 63 GLY N N 63 109.003 109.003 108.617 0.386 25868 8207 1 16 . 1 1 63 63 GLY C C 63 175.517 175.517 175.522 -0.005 25868 8208 1 16 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.071 -0.012 25868 8209 1 16 . 1 1 63 63 GLY H H 63 8.018 8.018 8.049 -0.031 25868 8210 1 16 . 1 1 64 64 LEU N N 64 122.504 122.504 122.768 -0.264 25868 8211 1 16 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.167 -0.085 25868 8212 1 16 . 1 1 64 64 LEU C C 64 177.333 177.333 178.354 -1.021 25868 8213 1 16 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.367 1.125 25868 8214 1 16 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.895 0.212 25868 8215 1 16 . 1 1 64 64 LEU H H 64 8.073 8.073 7.722 0.351 25868 8216 1 16 . 1 1 65 65 ARG N N 65 118.626 118.626 118.805 -0.179 25868 8217 1 16 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.949 -0.057 25868 8218 1 16 . 1 1 65 65 ARG C C 65 179.045 179.045 178.369 0.676 25868 8219 1 16 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.476 0.379 25868 8220 1 16 . 1 1 65 65 ARG CB C 65 29.935 29.935 29.930 0.005 25868 8221 1 16 . 1 1 65 65 ARG H H 65 8.491 8.491 8.020 0.471 25868 8222 1 16 . 1 1 66 66 ARG N N 66 119.009 119.009 118.631 0.378 25868 8223 1 16 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.042 -0.075 25868 8224 1 16 . 1 1 66 66 ARG C C 66 178.943 178.943 178.430 0.513 25868 8225 1 16 . 1 1 66 66 ARG CA C 66 59.213 59.213 57.964 1.249 25868 8226 1 16 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.159 0.392 25868 8227 1 16 . 1 1 66 66 ARG H H 66 7.601 7.601 7.804 -0.203 25868 8228 1 16 . 1 1 67 67 ALA N N 67 122.174 122.174 121.121 1.053 25868 8229 1 16 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.498 -0.321 25868 8230 1 16 . 1 1 67 67 ALA C C 67 178.654 178.654 179.670 -1.016 25868 8231 1 16 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.725 1.369 25868 8232 1 16 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.345 -0.466 25868 8233 1 16 . 1 1 67 67 ALA H H 67 8.681 8.681 8.138 0.543 25868 8234 1 16 . 1 1 68 68 ALA N N 68 119.208 119.208 121.926 -2.718 25868 8235 1 16 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.047 -0.096 25868 8236 1 16 . 1 1 68 68 ALA C C 68 179.562 179.562 179.591 -0.029 25868 8237 1 16 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.052 0.513 25868 8238 1 16 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.428 -0.587 25868 8239 1 16 . 1 1 68 68 ALA H H 68 9.060 9.060 8.091 0.969 25868 8240 1 16 . 1 1 69 69 LYS N N 69 119.434 119.434 118.146 1.288 25868 8241 1 16 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.070 -0.080 25868 8242 1 16 . 1 1 69 69 LYS C C 69 178.929 178.929 178.933 -0.004 25868 8243 1 16 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.675 0.860 25868 8244 1 16 . 1 1 69 69 LYS CB C 69 32.110 32.110 31.998 0.112 25868 8245 1 16 . 1 1 69 69 LYS H H 69 7.997 7.997 7.701 0.296 25868 8246 1 16 . 1 1 70 70 SER N N 70 116.406 116.406 115.103 1.303 25868 8247 1 16 . 1 1 70 70 SER HA H 70 3.908 3.908 4.156 -0.248 25868 8248 1 16 . 1 1 70 70 SER C C 70 175.957 175.957 175.975 -0.018 25868 8249 1 16 . 1 1 70 70 SER CA C 70 62.776 62.776 60.443 2.333 25868 8250 1 16 . 1 1 70 70 SER CB C 70 60.389 60.389 62.012 -1.623 25868 8251 1 16 . 1 1 70 70 SER H H 70 8.105 8.105 7.855 0.250 25868 8252 1 16 . 1 1 71 71 LEU N N 71 123.712 123.712 122.265 1.447 25868 8253 1 16 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.354 -0.273 25868 8254 1 16 . 1 1 71 71 LEU C C 71 176.893 176.893 178.123 -1.230 25868 8255 1 16 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.561 0.416 25868 8256 1 16 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.001 0.443 25868 8257 1 16 . 1 1 71 71 LEU H H 71 8.315 8.315 7.849 0.466 25868 8258 1 16 . 1 1 72 72 LYS N N 72 117.431 117.431 117.884 -0.453 25868 8259 1 16 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.056 -0.194 25868 8260 1 16 . 1 1 72 72 LYS C C 72 179.617 179.617 178.897 0.720 25868 8261 1 16 . 1 1 72 72 LYS CA C 72 59.540 59.540 58.900 0.640 25868 8262 1 16 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.395 0.595 25868 8263 1 16 . 1 1 72 72 LYS H H 72 7.785 7.785 7.562 0.223 25868 8264 1 16 . 1 1 73 73 GLU N N 73 117.402 117.402 120.485 -3.083 25868 8265 1 16 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.038 -0.019 25868 8266 1 16 . 1 1 73 73 GLU C C 73 178.475 178.475 178.755 -0.280 25868 8267 1 16 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.999 -0.354 25868 8268 1 16 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.282 0.128 25868 8269 1 16 . 1 1 73 73 GLU H H 73 7.920 7.920 7.898 0.022 25868 8270 1 16 . 1 1 74 74 ALA N N 74 122.211 122.211 121.686 0.525 25868 8271 1 16 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.407 -0.088 25868 8272 1 16 . 1 1 74 74 ALA C C 74 178.839 178.839 179.323 -0.484 25868 8273 1 16 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.792 -0.414 25868 8274 1 16 . 1 1 74 74 ALA CB C 74 17.530 17.530 19.080 -1.550 25868 8275 1 16 . 1 1 74 74 ALA H H 74 8.010 8.010 7.704 0.306 25868 8276 1 16 . 1 1 75 75 ILE N N 75 113.486 113.486 118.197 -4.711 25868 8277 1 16 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.688 -0.273 25868 8278 1 16 . 1 1 75 75 ILE C C 75 177.333 177.333 178.690 -1.357 25868 8279 1 16 . 1 1 75 75 ILE CA C 75 65.814 65.814 65.256 0.558 25868 8280 1 16 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.976 0.221 25868 8281 1 16 . 1 1 75 75 ILE H H 75 7.405 7.405 7.862 -0.457 25868 8282 1 16 . 1 1 76 76 THR N N 76 105.977 105.977 114.221 -8.244 25868 8283 1 16 . 1 1 76 76 THR HA H 76 3.963 3.963 4.105 -0.142 25868 8284 1 16 . 1 1 76 76 THR C C 76 174.609 174.609 175.195 -0.586 25868 8285 1 16 . 1 1 76 76 THR CA C 76 63.773 63.773 64.276 -0.503 25868 8286 1 16 . 1 1 76 76 THR CB C 76 68.757 68.757 68.966 -0.209 25868 8287 1 16 . 1 1 76 76 THR H H 76 7.217 7.217 8.125 -0.908 25868 8288 1 16 . 1 1 77 77 ALA N N 77 122.534 122.534 122.358 0.176 25868 8289 1 16 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.497 -0.080 25868 8290 1 16 . 1 1 77 77 ALA C C 77 177.085 177.085 177.843 -0.758 25868 8291 1 16 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.760 -0.132 25868 8292 1 16 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.566 0.215 25868 8293 1 16 . 1 1 77 77 ALA H H 77 7.486 7.486 7.303 0.183 25868 8294 1 16 . 1 1 78 78 ILE N N 78 123.223 123.223 121.415 1.808 25868 8295 1 16 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.012 0.200 25868 8296 1 16 . 1 1 78 78 ILE C C 78 174.939 174.939 175.003 -0.064 25868 8297 1 16 . 1 1 78 78 ILE CA C 78 59.798 59.798 60.051 -0.253 25868 8298 1 16 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.768 1.848 25868 8299 1 16 . 1 1 78 78 ILE H H 78 7.428 7.428 7.350 0.078 25868 8300 1 16 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.494 -0.056 25868 8301 1 16 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.423 1.662 25868 8302 1 16 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.313 -0.004 25868 8303 1 16 . 1 1 83 83 GLY N N 83 105.726 105.726 109.662 -3.936 25868 8304 1 16 . 1 1 83 83 GLY C C 83 175.765 175.765 174.799 0.966 25868 8305 1 16 . 1 1 83 83 GLY CA C 83 46.491 46.491 44.553 1.938 25868 8306 1 16 . 1 1 83 83 GLY H H 83 7.613 7.613 7.992 -0.379 25868 8307 1 16 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.104 -0.220 25868 8308 1 16 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.290 2.031 25868 8309 1 16 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.116 0.711 25868 8310 1 16 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.059 -0.075 25868 8311 1 16 . 1 1 86 86 GLU C C 86 179.163 179.163 178.431 0.732 25868 8312 1 16 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.713 0.483 25868 8313 1 16 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.765 0.163 25868 8314 1 16 . 1 1 86 86 GLU H H 86 7.965 7.965 8.394 -0.429 25868 8315 1 16 . 1 1 87 87 ALA N N 87 122.092 122.092 122.609 -0.517 25868 8316 1 16 . 1 1 87 87 ALA HA H 87 4.199 4.199 3.999 0.200 25868 8317 1 16 . 1 1 87 87 ALA C C 87 178.980 178.980 179.143 -0.163 25868 8318 1 16 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.528 0.141 25868 8319 1 16 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.496 -0.083 25868 8320 1 16 . 1 1 87 87 ALA H H 87 8.108 8.108 7.421 0.687 25868 8321 1 16 . 1 1 88 88 LYS N N 88 118.808 118.808 118.583 0.225 25868 8322 1 16 . 1 1 88 88 LYS HA H 88 3.893 3.893 4.050 -0.157 25868 8323 1 16 . 1 1 88 88 LYS C C 88 179.341 179.341 179.239 0.102 25868 8324 1 16 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.883 1.120 25868 8325 1 16 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.130 0.096 25868 8326 1 16 . 1 1 88 88 LYS H H 88 8.501 8.501 7.696 0.805 25868 8327 1 16 . 1 1 89 89 GLU N N 89 119.454 119.454 119.110 0.344 25868 8328 1 16 . 1 1 89 89 GLU HA H 89 3.995 3.995 4.109 -0.114 25868 8329 1 16 . 1 1 89 89 GLU C C 89 179.017 179.017 178.929 0.088 25868 8330 1 16 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.931 0.013 25868 8331 1 16 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.295 -0.463 25868 8332 1 16 . 1 1 89 89 GLU H H 89 7.544 7.544 7.724 -0.180 25868 8333 1 16 . 1 1 90 90 MET N N 90 119.262 119.262 117.807 1.455 25868 8334 1 16 . 1 1 90 90 MET HA H 90 3.284 3.284 4.074 -0.790 25868 8335 1 16 . 1 1 90 90 MET C C 90 177.003 177.003 177.603 -0.600 25868 8336 1 16 . 1 1 90 90 MET CA C 90 59.168 59.168 58.193 0.975 25868 8337 1 16 . 1 1 90 90 MET CB C 90 33.468 33.468 32.021 1.447 25868 8338 1 16 . 1 1 90 90 MET H H 90 7.600 7.600 7.254 0.346 25868 8339 1 16 . 1 1 91 91 ALA N N 91 120.041 120.041 121.048 -1.007 25868 8340 1 16 . 1 1 91 91 ALA HA H 91 3.868 3.868 4.044 -0.176 25868 8341 1 16 . 1 1 91 91 ALA C C 91 179.039 179.039 179.254 -0.215 25868 8342 1 16 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.016 0.014 25868 8343 1 16 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.231 -0.147 25868 8344 1 16 . 1 1 91 91 ALA H H 91 8.212 8.212 7.743 0.469 25868 8345 1 16 . 1 1 92 92 LYS N N 92 118.442 118.442 117.056 1.386 25868 8346 1 16 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.978 -0.056 25868 8347 1 16 . 1 1 92 92 LYS C C 92 178.874 178.874 178.734 0.140 25868 8348 1 16 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.029 0.092 25868 8349 1 16 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.727 0.515 25868 8350 1 16 . 1 1 92 92 LYS H H 92 7.819 7.819 7.555 0.264 25868 8351 1 16 . 1 1 93 93 LYS N N 93 119.228 119.228 119.580 -0.352 25868 8352 1 16 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.567 0.010 25868 8353 1 16 . 1 1 93 93 LYS C C 93 176.618 176.618 177.927 -1.309 25868 8354 1 16 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.591 -0.465 25868 8355 1 16 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.591 -0.446 25868 8356 1 16 . 1 1 93 93 LYS H H 93 7.449 7.449 7.500 -0.051 25868 8357 1 16 . 1 1 94 94 ALA N N 94 117.825 117.825 120.348 -2.523 25868 8358 1 16 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.937 -0.156 25868 8359 1 16 . 1 1 94 94 ALA C C 94 178.736 178.736 179.767 -1.031 25868 8360 1 16 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.147 -0.269 25868 8361 1 16 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.284 -1.041 25868 8362 1 16 . 1 1 94 94 ALA H H 94 7.698 7.698 7.403 0.295 25868 8363 1 16 . 1 1 95 95 GLU N N 95 115.361 115.361 117.566 -2.205 25868 8364 1 16 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.060 -0.151 25868 8365 1 16 . 1 1 95 95 GLU C C 95 178.984 178.984 178.953 0.031 25868 8366 1 16 . 1 1 95 95 GLU CA C 95 59.380 59.380 58.957 0.423 25868 8367 1 16 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.261 0.215 25868 8368 1 16 . 1 1 95 95 GLU H H 95 7.907 7.907 7.597 0.310 25868 8369 1 16 . 1 1 96 96 GLU N N 96 121.608 121.608 119.962 1.646 25868 8370 1 16 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.106 -0.157 25868 8371 1 16 . 1 1 96 96 GLU C C 96 180.249 180.249 179.307 0.942 25868 8372 1 16 . 1 1 96 96 GLU CA C 96 59.197 59.197 58.879 0.318 25868 8373 1 16 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.148 -0.268 25868 8374 1 16 . 1 1 96 96 GLU H H 96 7.815 7.815 7.977 -0.162 25868 8375 1 16 . 1 1 97 97 TRP N N 97 122.511 122.511 120.201 2.310 25868 8376 1 16 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.341 0.057 25868 8377 1 16 . 1 1 97 97 TRP C C 97 178.007 178.007 178.639 -0.632 25868 8378 1 16 . 1 1 97 97 TRP CA C 97 57.736 57.736 59.306 -1.570 25868 8379 1 16 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.082 -0.104 25868 8380 1 16 . 1 1 97 97 TRP H H 97 8.069 8.069 8.476 -0.407 25868 8381 1 16 . 1 1 98 98 LEU N N 98 119.235 119.235 120.591 -1.356 25868 8382 1 16 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.057 0.026 25868 8383 1 16 . 1 1 98 98 LEU C C 98 178.599 178.599 179.057 -0.458 25868 8384 1 16 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.338 -0.684 25868 8385 1 16 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.696 0.269 25868 8386 1 16 . 1 1 98 98 LEU H H 98 8.077 8.077 7.636 0.441 25868 8387 1 16 . 1 1 99 99 GLN N N 99 117.609 117.609 117.325 0.284 25868 8388 1 16 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.059 0.057 25868 8389 1 16 . 1 1 99 99 GLN C C 99 177.636 177.636 177.920 -0.284 25868 8390 1 16 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.011 -0.291 25868 8391 1 16 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.230 0.016 25868 8392 1 16 . 1 1 99 99 GLN H H 99 8.077 8.077 8.198 -0.121 25868 8393 1 16 . 1 1 100 100 ALA N N 100 122.106 122.106 119.905 2.201 25868 8394 1 16 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.241 0.064 25868 8395 1 16 . 1 1 100 100 ALA C C 100 179.424 179.424 179.555 -0.131 25868 8396 1 16 . 1 1 100 100 ALA CA C 100 54.053 54.053 53.909 0.144 25868 8397 1 16 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.998 -0.445 25868 8398 1 16 . 1 1 100 100 ALA H H 100 7.944 7.944 7.670 0.274 25868 8399 1 16 . 1 1 101 101 GLU N N 101 117.817 117.817 117.837 -0.020 25868 8400 1 16 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.312 0.044 25868 8401 1 16 . 1 1 101 101 GLU C C 101 177.415 177.415 177.785 -0.370 25868 8402 1 16 . 1 1 101 101 GLU CA C 101 57.013 57.013 58.052 -1.039 25868 8403 1 16 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.246 0.153 25868 8404 1 16 . 1 1 101 101 GLU H H 101 8.162 8.162 8.123 0.039 25868 8405 1 16 . 1 1 102 102 GLN N N 102 118.194 118.194 119.411 -1.217 25868 8406 1 16 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.411 -0.077 25868 8407 1 16 . 1 1 102 102 GLN C C 102 175.755 175.755 175.448 0.307 25868 8408 1 16 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.443 0.884 25868 8409 1 16 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.816 1.478 25868 8410 1 16 . 1 1 102 102 GLN H H 102 8.094 8.094 7.763 0.331 25868 8411 1 16 . 1 1 103 103 ASN N N 103 119.032 119.032 121.967 -2.935 25868 8412 1 16 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.845 -0.055 25868 8413 1 16 . 1 1 103 103 ASN C C 103 173.949 173.949 175.117 -1.168 25868 8414 1 16 . 1 1 103 103 ASN CA C 103 53.029 53.029 52.880 0.149 25868 8415 1 16 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.761 -0.711 25868 8416 1 16 . 1 1 103 103 ASN H H 103 8.149 8.149 8.134 0.015 25868 8417 1 17 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.579 -0.005 25868 8418 1 17 . 1 1 2 2 ASP C C 2 176.630 176.630 176.091 0.539 25868 8419 1 17 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.082 0.960 25868 8420 1 17 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.863 -0.962 25868 8421 1 17 . 1 1 3 3 GLU N N 3 121.683 121.683 121.173 0.510 25868 8422 1 17 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.988 0.192 25868 8423 1 17 . 1 1 3 3 GLU CA C 3 57.896 57.896 58.378 -0.482 25868 8424 1 17 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.857 -0.450 25868 8425 1 17 . 1 1 3 3 GLU H H 3 8.889 8.889 8.609 0.280 25868 8426 1 17 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.240 0.205 25868 8427 1 17 . 1 1 4 4 ASN C C 4 176.095 176.095 176.986 -0.891 25868 8428 1 17 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.248 -0.603 25868 8429 1 17 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.607 0.199 25868 8430 1 17 . 1 1 5 5 ILE N N 5 119.355 119.355 119.841 -0.486 25868 8431 1 17 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.715 0.162 25868 8432 1 17 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.639 -0.558 25868 8433 1 17 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.808 -0.117 25868 8434 1 17 . 1 1 5 5 ILE H H 5 8.018 8.018 7.156 0.862 25868 8435 1 17 . 1 1 6 6 ALA N N 6 123.430 123.430 121.312 2.118 25868 8436 1 17 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.976 0.273 25868 8437 1 17 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.050 -0.879 25868 8438 1 17 . 1 1 6 6 ALA CB C 6 18.244 18.244 17.983 0.261 25868 8439 1 17 . 1 1 6 6 ALA H H 6 8.041 8.041 7.622 0.419 25868 8440 1 17 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.027 0.003 25868 8441 1 17 . 1 1 7 7 LYS C C 7 178.778 178.778 178.805 -0.027 25868 8442 1 17 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.405 0.349 25868 8443 1 17 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.110 -0.097 25868 8444 1 17 . 1 1 8 8 PHE N N 8 120.439 120.439 116.881 3.558 25868 8445 1 17 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.420 0.254 25868 8446 1 17 . 1 1 8 8 PHE C C 8 177.470 177.470 177.530 -0.060 25868 8447 1 17 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.300 -0.145 25868 8448 1 17 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.445 0.831 25868 8449 1 17 . 1 1 8 8 PHE H H 8 7.908 7.908 7.360 0.548 25868 8450 1 17 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.175 -0.046 25868 8451 1 17 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.626 -0.513 25868 8452 1 17 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.227 0.567 25868 8453 1 17 . 1 1 11 11 ALA N N 11 122.712 122.712 118.761 3.951 25868 8454 1 17 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.336 -0.130 25868 8455 1 17 . 1 1 11 11 ALA CA C 11 54.170 54.170 52.696 1.474 25868 8456 1 17 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.471 -1.210 25868 8457 1 17 . 1 1 11 11 ALA H H 11 7.945 7.945 7.245 0.700 25868 8458 1 17 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.543 -0.422 25868 8459 1 17 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.435 0.731 25868 8460 1 17 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.666 -2.666 25868 8461 1 17 . 1 1 13 13 LYS N N 13 120.452 120.452 126.213 -5.761 25868 8462 1 17 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.661 -0.621 25868 8463 1 17 . 1 1 13 13 LYS CA C 13 57.813 57.813 55.470 2.343 25868 8464 1 17 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.390 -1.063 25868 8465 1 17 . 1 1 13 13 LYS H H 13 8.017 8.017 8.059 -0.042 25868 8466 1 17 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.256 -0.102 25868 8467 1 17 . 1 1 14 14 LYS CA C 14 57.675 57.675 57.178 0.497 25868 8468 1 17 . 1 1 14 14 LYS CB C 14 32.196 32.196 31.589 0.607 25868 8469 1 17 . 1 1 14 14 LYS H H 14 8.011 8.011 8.721 -0.710 25868 8470 1 17 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.212 0.060 25868 8471 1 17 . 1 1 15 15 ALA C C 15 179.056 179.056 176.556 2.500 25868 8472 1 17 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.235 1.736 25868 8473 1 17 . 1 1 15 15 ALA CB C 15 18.684 18.684 17.821 0.863 25868 8474 1 17 . 1 1 16 16 GLU N N 16 120.136 120.136 122.160 -2.024 25868 8475 1 17 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.256 -0.041 25868 8476 1 17 . 1 1 16 16 GLU C C 16 179.176 179.176 177.481 1.695 25868 8477 1 17 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.609 0.890 25868 8478 1 17 . 1 1 16 16 GLU CB C 16 29.915 29.915 30.616 -0.701 25868 8479 1 17 . 1 1 16 16 GLU H H 16 8.599 8.599 8.246 0.353 25868 8480 1 17 . 1 1 17 17 GLU N N 17 120.683 120.683 121.391 -0.708 25868 8481 1 17 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.068 0.006 25868 8482 1 17 . 1 1 17 17 GLU CA C 17 58.104 58.104 59.403 -1.299 25868 8483 1 17 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.897 -0.179 25868 8484 1 17 . 1 1 17 17 GLU H H 17 8.009 8.009 7.744 0.265 25868 8485 1 17 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.390 -0.060 25868 8486 1 17 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.690 -0.192 25868 8487 1 17 . 1 1 18 18 LEU CB C 18 41.969 41.969 41.600 0.369 25868 8488 1 17 . 1 1 18 18 LEU H H 18 7.614 7.614 8.075 -0.461 25868 8489 1 17 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.396 0.013 25868 8490 1 17 . 1 1 19 19 ASN C C 19 174.609 174.609 174.188 0.421 25868 8491 1 17 . 1 1 19 19 ASN CA C 19 53.676 53.676 54.385 -0.709 25868 8492 1 17 . 1 1 19 19 ASN CB C 19 37.825 37.825 36.687 1.138 25868 8493 1 17 . 1 1 20 20 GLN N N 20 118.736 118.736 116.996 1.740 25868 8494 1 17 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.553 -0.093 25868 8495 1 17 . 1 1 20 20 GLN C C 20 176.659 176.659 175.685 0.974 25868 8496 1 17 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.017 -0.330 25868 8497 1 17 . 1 1 20 20 GLN CB C 20 28.164 28.164 30.103 -1.939 25868 8498 1 17 . 1 1 20 20 GLN H H 20 8.340 8.340 7.819 0.521 25868 8499 1 17 . 1 1 21 21 GLY N N 21 111.864 111.864 110.515 1.349 25868 8500 1 17 . 1 1 21 21 GLY CA C 21 47.053 47.053 45.478 1.575 25868 8501 1 17 . 1 1 21 21 GLY H H 21 8.455 8.455 8.610 -0.155 25868 8502 1 17 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.207 0.056 25868 8503 1 17 . 1 1 23 23 LEU C C 23 179.620 179.620 177.210 2.410 25868 8504 1 17 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.388 1.006 25868 8505 1 17 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.965 -0.415 25868 8506 1 17 . 1 1 24 24 MET N N 24 120.657 120.657 114.655 6.002 25868 8507 1 17 . 1 1 24 24 MET HA H 24 4.077 4.077 4.375 -0.298 25868 8508 1 17 . 1 1 24 24 MET CB C 24 34.035 34.035 34.634 -0.599 25868 8509 1 17 . 1 1 24 24 MET H H 24 8.219 8.219 7.311 0.908 25868 8510 1 17 . 1 1 25 25 GLY N N 25 106.956 106.956 107.557 -0.601 25868 8511 1 17 . 1 1 25 25 GLY C C 25 175.016 175.016 175.257 -0.241 25868 8512 1 17 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.533 1.238 25868 8513 1 17 . 1 1 25 25 GLY H H 25 8.589 8.589 8.383 0.206 25868 8514 1 17 . 1 1 26 26 ARG N N 26 119.970 119.970 123.012 -3.042 25868 8515 1 17 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.299 -0.083 25868 8516 1 17 . 1 1 26 26 ARG C C 26 177.966 177.966 177.733 0.233 25868 8517 1 17 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.209 0.518 25868 8518 1 17 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.292 -0.029 25868 8519 1 17 . 1 1 26 26 ARG H H 26 8.297 8.297 7.765 0.532 25868 8520 1 17 . 1 1 27 27 ALA N N 27 121.499 121.499 122.170 -0.671 25868 8521 1 17 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.176 0.088 25868 8522 1 17 . 1 1 27 27 ALA C C 27 179.878 179.878 179.945 -0.067 25868 8523 1 17 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.916 0.784 25868 8524 1 17 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.030 0.293 25868 8525 1 17 . 1 1 27 27 ALA H H 27 7.816 7.816 8.344 -0.528 25868 8526 1 17 . 1 1 28 28 LEU N N 28 117.285 117.285 118.963 -1.678 25868 8527 1 17 . 1 1 28 28 LEU HA H 28 4.027 4.027 4.014 0.013 25868 8528 1 17 . 1 1 28 28 LEU C C 28 178.158 178.158 179.317 -1.159 25868 8529 1 17 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.393 0.701 25868 8530 1 17 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.617 0.637 25868 8531 1 17 . 1 1 28 28 LEU H H 28 8.066 8.066 8.058 0.008 25868 8532 1 17 . 1 1 29 29 TYR N N 29 119.594 119.594 120.545 -0.951 25868 8533 1 17 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.363 -0.369 25868 8534 1 17 . 1 1 29 29 TYR C C 29 176.382 176.382 177.760 -1.378 25868 8535 1 17 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.880 0.787 25868 8536 1 17 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.626 0.284 25868 8537 1 17 . 1 1 29 29 TYR H H 29 8.568 8.568 8.014 0.554 25868 8538 1 17 . 1 1 30 30 ASN N N 30 116.978 116.978 117.342 -0.364 25868 8539 1 17 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.277 -0.016 25868 8540 1 17 . 1 1 30 30 ASN C C 30 178.521 178.521 177.725 0.796 25868 8541 1 17 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.709 -0.785 25868 8542 1 17 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.437 -1.974 25868 8543 1 17 . 1 1 30 30 ASN H H 30 8.290 8.290 8.036 0.254 25868 8544 1 17 . 1 1 31 31 ILE N N 31 122.107 122.107 119.820 2.287 25868 8545 1 17 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.726 -0.369 25868 8546 1 17 . 1 1 31 31 ILE C C 31 178.007 178.007 177.436 0.571 25868 8547 1 17 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.051 1.146 25868 8548 1 17 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.431 0.255 25868 8549 1 17 . 1 1 31 31 ILE H H 31 8.006 8.006 8.205 -0.199 25868 8550 1 17 . 1 1 32 32 GLY N N 32 107.810 107.810 107.768 0.042 25868 8551 1 17 . 1 1 32 32 GLY C C 32 175.187 175.187 175.567 -0.380 25868 8552 1 17 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.630 1.890 25868 8553 1 17 . 1 1 32 32 GLY H H 32 7.880 7.880 7.837 0.043 25868 8554 1 17 . 1 1 33 33 LEU N N 33 120.587 120.587 122.420 -1.833 25868 8555 1 17 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.060 -0.004 25868 8556 1 17 . 1 1 33 33 LEU C C 33 180.635 180.635 179.140 1.495 25868 8557 1 17 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.685 0.466 25868 8558 1 17 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.541 0.136 25868 8559 1 17 . 1 1 33 33 LEU H H 33 8.117 8.117 7.844 0.273 25868 8560 1 17 . 1 1 34 34 GLU N N 34 120.332 120.332 118.863 1.469 25868 8561 1 17 . 1 1 34 34 GLU HA H 34 3.973 3.973 3.977 -0.004 25868 8562 1 17 . 1 1 34 34 GLU C C 34 179.479 179.479 179.293 0.186 25868 8563 1 17 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.351 -0.489 25868 8564 1 17 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.912 0.239 25868 8565 1 17 . 1 1 34 34 GLU H H 34 7.763 7.763 7.671 0.092 25868 8566 1 17 . 1 1 35 35 LYS N N 35 118.642 118.642 118.642 0.000 25868 8567 1 17 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.950 -0.037 25868 8568 1 17 . 1 1 35 35 LYS C C 35 179.149 179.149 178.935 0.214 25868 8569 1 17 . 1 1 35 35 LYS CA C 35 57.842 57.842 59.181 -1.339 25868 8570 1 17 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.925 -1.211 25868 8571 1 17 . 1 1 35 35 LYS H H 35 8.573 8.573 7.461 1.112 25868 8572 1 17 . 1 1 36 36 ASN N N 36 119.047 119.047 117.455 1.592 25868 8573 1 17 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.495 -0.187 25868 8574 1 17 . 1 1 36 36 ASN C C 36 179.782 179.782 177.444 2.338 25868 8575 1 17 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.842 -0.183 25868 8576 1 17 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.484 -0.292 25868 8577 1 17 . 1 1 36 36 ASN H H 36 8.348 8.348 8.137 0.211 25868 8578 1 17 . 1 1 37 37 LYS N N 37 121.477 121.477 118.554 2.923 25868 8579 1 17 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.144 -0.060 25868 8580 1 17 . 1 1 37 37 LYS C C 37 177.938 177.938 178.197 -0.259 25868 8581 1 17 . 1 1 37 37 LYS CA C 37 59.290 59.290 57.970 1.320 25868 8582 1 17 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.179 0.030 25868 8583 1 17 . 1 1 37 37 LYS H H 37 7.956 7.956 8.021 -0.065 25868 8584 1 17 . 1 1 38 38 MET N N 38 114.976 114.976 114.910 0.066 25868 8585 1 17 . 1 1 38 38 MET HA H 38 4.519 4.519 4.516 0.003 25868 8586 1 17 . 1 1 38 38 MET C C 38 175.847 175.847 176.763 -0.916 25868 8587 1 17 . 1 1 38 38 MET CA C 38 55.264 55.264 55.664 -0.400 25868 8588 1 17 . 1 1 38 38 MET CB C 38 33.388 33.388 33.549 -0.161 25868 8589 1 17 . 1 1 38 38 MET H H 38 7.394 7.394 7.438 -0.044 25868 8590 1 17 . 1 1 39 39 GLY N N 39 107.575 107.575 106.256 1.319 25868 8591 1 17 . 1 1 39 39 GLY C C 39 174.994 174.994 175.354 -0.360 25868 8592 1 17 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.315 0.436 25868 8593 1 17 . 1 1 39 39 GLY H H 39 7.906 7.906 7.630 0.276 25868 8594 1 17 . 1 1 40 40 LYS N N 40 122.563 122.563 121.708 0.855 25868 8595 1 17 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.339 0.397 25868 8596 1 17 . 1 1 40 40 LYS C C 40 175.847 175.847 175.810 0.037 25868 8597 1 17 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.047 -1.667 25868 8598 1 17 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.641 -0.219 25868 8599 1 17 . 1 1 40 40 LYS H H 40 7.958 7.958 8.302 -0.344 25868 8600 1 17 . 1 1 41 41 ALA N N 41 123.662 123.662 122.034 1.628 25868 8601 1 17 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.161 -0.026 25868 8602 1 17 . 1 1 41 41 ALA C C 41 178.736 178.736 178.635 0.101 25868 8603 1 17 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.480 1.249 25868 8604 1 17 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.905 1.061 25868 8605 1 17 . 1 1 41 41 ALA H H 41 7.487 7.487 7.644 -0.157 25868 8606 1 17 . 1 1 42 42 ARG N N 42 118.612 118.612 118.619 -0.007 25868 8607 1 17 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.056 -0.056 25868 8608 1 17 . 1 1 42 42 ARG C C 42 178.901 178.901 178.322 0.579 25868 8609 1 17 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.962 -0.165 25868 8610 1 17 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.604 -0.730 25868 8611 1 17 . 1 1 42 42 ARG H H 42 8.864 8.864 8.572 0.292 25868 8612 1 17 . 1 1 43 43 GLU N N 43 120.194 120.194 119.910 0.284 25868 8613 1 17 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.433 -0.310 25868 8614 1 17 . 1 1 43 43 GLU C C 43 178.901 178.901 178.876 0.025 25868 8615 1 17 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.434 0.004 25868 8616 1 17 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.277 0.657 25868 8617 1 17 . 1 1 43 43 GLU H H 43 8.062 8.062 7.813 0.249 25868 8618 1 17 . 1 1 44 44 ALA N N 44 121.369 121.369 122.755 -1.386 25868 8619 1 17 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.746 -0.173 25868 8620 1 17 . 1 1 44 44 ALA C C 44 177.911 177.911 179.008 -1.097 25868 8621 1 17 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.215 0.548 25868 8622 1 17 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.198 0.350 25868 8623 1 17 . 1 1 44 44 ALA H H 44 8.627 8.627 7.660 0.967 25868 8624 1 17 . 1 1 45 45 ALA N N 45 117.108 117.108 120.136 -3.028 25868 8625 1 17 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.213 -0.128 25868 8626 1 17 . 1 1 45 45 ALA C C 45 178.078 178.078 179.873 -1.795 25868 8627 1 17 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.263 0.313 25868 8628 1 17 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.284 -0.844 25868 8629 1 17 . 1 1 45 45 ALA H H 45 8.310 8.310 8.078 0.232 25868 8630 1 17 . 1 1 46 46 GLU N N 46 115.941 115.941 119.363 -3.422 25868 8631 1 17 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.107 -0.188 25868 8632 1 17 . 1 1 46 46 GLU C C 46 179.341 179.341 179.319 0.022 25868 8633 1 17 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.396 0.361 25868 8634 1 17 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.511 -0.374 25868 8635 1 17 . 1 1 46 46 GLU H H 46 7.451 7.451 7.621 -0.170 25868 8636 1 17 . 1 1 47 47 TYR N N 47 117.925 117.925 119.547 -1.622 25868 8637 1 17 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.151 -0.306 25868 8638 1 17 . 1 1 47 47 TYR C C 47 178.544 178.544 178.427 0.117 25868 8639 1 17 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.734 2.930 25868 8640 1 17 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.206 -0.892 25868 8641 1 17 . 1 1 47 47 TYR H H 47 7.746 7.746 7.726 0.020 25868 8642 1 17 . 1 1 48 48 PHE N N 48 118.758 118.758 117.624 1.134 25868 8643 1 17 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.458 0.290 25868 8644 1 17 . 1 1 48 48 PHE C C 48 178.227 178.227 178.212 0.015 25868 8645 1 17 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.396 -0.843 25868 8646 1 17 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.314 -0.165 25868 8647 1 17 . 1 1 48 48 PHE H H 48 9.054 9.054 8.530 0.524 25868 8648 1 17 . 1 1 49 49 PHE N N 49 120.234 120.234 122.028 -1.794 25868 8649 1 17 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.352 0.146 25868 8650 1 17 . 1 1 49 49 PHE C C 49 176.645 176.645 177.251 -0.606 25868 8651 1 17 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.510 -0.289 25868 8652 1 17 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.141 1.148 25868 8653 1 17 . 1 1 49 49 PHE H H 49 8.981 8.981 8.182 0.799 25868 8654 1 17 . 1 1 50 50 ARG N N 50 117.925 117.925 118.572 -0.647 25868 8655 1 17 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.793 -0.013 25868 8656 1 17 . 1 1 50 50 ARG C C 50 179.369 179.369 178.605 0.764 25868 8657 1 17 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.320 0.509 25868 8658 1 17 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.909 0.614 25868 8659 1 17 . 1 1 50 50 ARG H H 50 8.450 8.450 8.442 0.008 25868 8660 1 17 . 1 1 51 51 ALA N N 51 120.897 120.897 122.173 -1.276 25868 8661 1 17 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.033 -0.317 25868 8662 1 17 . 1 1 51 51 ALA C C 51 177.085 177.085 179.010 -1.925 25868 8663 1 17 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.094 0.004 25868 8664 1 17 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.517 -1.250 25868 8665 1 17 . 1 1 51 51 ALA H H 51 8.697 8.697 8.140 0.557 25868 8666 1 17 . 1 1 52 52 ALA N N 52 120.007 120.007 121.012 -1.005 25868 8667 1 17 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.309 -0.240 25868 8668 1 17 . 1 1 52 52 ALA C C 52 178.067 178.067 179.657 -1.590 25868 8669 1 17 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.086 1.022 25868 8670 1 17 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.761 -1.508 25868 8671 1 17 . 1 1 52 52 ALA H H 52 8.483 8.483 7.906 0.577 25868 8672 1 17 . 1 1 53 53 ILE N N 53 116.864 116.864 118.982 -2.118 25868 8673 1 17 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.056 0.127 25868 8674 1 17 . 1 1 53 53 ILE C C 53 178.323 178.323 177.707 0.616 25868 8675 1 17 . 1 1 53 53 ILE CA C 53 65.765 65.765 64.902 0.863 25868 8676 1 17 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.408 1.068 25868 8677 1 17 . 1 1 53 53 ILE H H 53 8.033 8.033 7.732 0.301 25868 8678 1 17 . 1 1 54 54 VAL N N 54 119.604 119.604 120.456 -0.852 25868 8679 1 17 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.570 -0.079 25868 8680 1 17 . 1 1 54 54 VAL C C 54 178.200 178.200 178.410 -0.210 25868 8681 1 17 . 1 1 54 54 VAL CA C 54 66.376 66.376 65.838 0.538 25868 8682 1 17 . 1 1 54 54 VAL CB C 54 31.408 31.408 30.958 0.450 25868 8683 1 17 . 1 1 54 54 VAL H H 54 7.126 7.126 7.581 -0.455 25868 8684 1 17 . 1 1 55 55 PHE N N 55 118.386 118.386 118.145 0.241 25868 8685 1 17 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.101 0.435 25868 8686 1 17 . 1 1 55 55 PHE C C 55 178.571 178.571 177.723 0.848 25868 8687 1 17 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.756 -2.269 25868 8688 1 17 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.843 0.314 25868 8689 1 17 . 1 1 55 55 PHE H H 55 9.061 9.061 8.229 0.832 25868 8690 1 17 . 1 1 56 56 TYR N N 56 119.488 119.488 120.412 -0.924 25868 8691 1 17 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.928 0.423 25868 8692 1 17 . 1 1 56 56 TYR C C 56 178.871 178.871 177.004 1.867 25868 8693 1 17 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.326 -1.832 25868 8694 1 17 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.356 -0.553 25868 8695 1 17 . 1 1 56 56 TYR H H 56 8.975 8.975 7.966 1.009 25868 8696 1 17 . 1 1 57 57 LYS N N 57 121.083 121.083 117.016 4.067 25868 8697 1 17 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.621 -0.158 25868 8698 1 17 . 1 1 57 57 LYS C C 57 178.103 178.103 177.996 0.107 25868 8699 1 17 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.436 0.409 25868 8700 1 17 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.001 -0.275 25868 8701 1 17 . 1 1 57 57 LYS H H 57 7.753 7.753 7.500 0.253 25868 8702 1 17 . 1 1 58 58 GLU N N 58 114.098 114.098 116.169 -2.071 25868 8703 1 17 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.278 -0.121 25868 8704 1 17 . 1 1 58 58 GLU C C 58 175.655 175.655 176.114 -0.459 25868 8705 1 17 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.236 -1.101 25868 8706 1 17 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.751 -0.111 25868 8707 1 17 . 1 1 58 58 GLU H H 58 7.849 7.849 7.746 0.103 25868 8708 1 17 . 1 1 59 59 HIS N N 59 115.781 115.781 113.865 1.916 25868 8709 1 17 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.391 -0.181 25868 8710 1 17 . 1 1 59 59 HIS C C 59 173.784 173.784 174.482 -0.698 25868 8711 1 17 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.935 -0.524 25868 8712 1 17 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.039 -1.201 25868 8713 1 17 . 1 1 59 59 HIS H H 59 7.659 7.659 7.140 0.519 25868 8714 1 17 . 1 1 60 60 ASP N N 60 118.780 118.780 120.106 -1.326 25868 8715 1 17 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.786 0.073 25868 8716 1 17 . 1 1 60 60 ASP C C 60 175.847 175.847 176.622 -0.775 25868 8717 1 17 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.184 -1.381 25868 8718 1 17 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.518 -0.387 25868 8719 1 17 . 1 1 60 60 ASP H H 60 8.660 8.660 8.291 0.369 25868 8720 1 17 . 1 1 61 61 THR N N 61 118.884 118.884 119.844 -0.960 25868 8721 1 17 . 1 1 61 61 THR HA H 61 3.763 3.763 3.934 -0.171 25868 8722 1 17 . 1 1 61 61 THR C C 61 175.886 175.886 175.771 0.115 25868 8723 1 17 . 1 1 61 61 THR CA C 61 66.159 66.159 67.172 -1.013 25868 8724 1 17 . 1 1 61 61 THR CB C 61 68.168 68.168 69.035 -0.867 25868 8725 1 17 . 1 1 61 61 THR H H 61 7.955 7.955 7.863 0.092 25868 8726 1 17 . 1 1 62 62 ASP N N 62 121.668 121.668 121.250 0.418 25868 8727 1 17 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.332 -0.070 25868 8728 1 17 . 1 1 62 62 ASP C C 62 178.461 178.461 178.368 0.093 25868 8729 1 17 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.353 0.096 25868 8730 1 17 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.134 0.801 25868 8731 1 17 . 1 1 62 62 ASP H H 62 8.298 8.298 8.395 -0.097 25868 8732 1 17 . 1 1 63 63 GLY N N 63 109.003 109.003 108.164 0.839 25868 8733 1 17 . 1 1 63 63 GLY C C 63 175.517 175.517 175.408 0.109 25868 8734 1 17 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.024 0.035 25868 8735 1 17 . 1 1 63 63 GLY H H 63 8.018 8.018 7.895 0.123 25868 8736 1 17 . 1 1 64 64 LEU N N 64 122.504 122.504 122.383 0.121 25868 8737 1 17 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.119 -0.037 25868 8738 1 17 . 1 1 64 64 LEU C C 64 177.333 177.333 178.652 -1.319 25868 8739 1 17 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.242 1.251 25868 8740 1 17 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.980 0.127 25868 8741 1 17 . 1 1 64 64 LEU H H 64 8.073 8.073 7.540 0.533 25868 8742 1 17 . 1 1 65 65 ARG N N 65 118.626 118.626 118.690 -0.064 25868 8743 1 17 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.880 0.012 25868 8744 1 17 . 1 1 65 65 ARG C C 65 179.045 179.045 178.689 0.356 25868 8745 1 17 . 1 1 65 65 ARG CA C 65 59.855 59.855 60.207 -0.352 25868 8746 1 17 . 1 1 65 65 ARG CB C 65 29.935 29.935 29.816 0.119 25868 8747 1 17 . 1 1 65 65 ARG H H 65 8.491 8.491 8.084 0.407 25868 8748 1 17 . 1 1 66 66 ARG N N 66 119.009 119.009 119.304 -0.295 25868 8749 1 17 . 1 1 66 66 ARG HA H 66 3.967 3.967 4.010 -0.043 25868 8750 1 17 . 1 1 66 66 ARG C C 66 178.943 178.943 178.126 0.817 25868 8751 1 17 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.057 0.156 25868 8752 1 17 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.960 -0.409 25868 8753 1 17 . 1 1 66 66 ARG H H 66 7.601 7.601 7.670 -0.069 25868 8754 1 17 . 1 1 67 67 ALA N N 67 122.174 122.174 121.024 1.150 25868 8755 1 17 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.377 -0.200 25868 8756 1 17 . 1 1 67 67 ALA C C 67 178.654 178.654 179.430 -0.776 25868 8757 1 17 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.766 1.328 25868 8758 1 17 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.364 -0.485 25868 8759 1 17 . 1 1 67 67 ALA H H 67 8.681 8.681 7.945 0.736 25868 8760 1 17 . 1 1 68 68 ALA N N 68 119.208 119.208 121.534 -2.326 25868 8761 1 17 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.008 -0.057 25868 8762 1 17 . 1 1 68 68 ALA C C 68 179.562 179.562 179.439 0.123 25868 8763 1 17 . 1 1 68 68 ALA CA C 68 55.565 55.565 54.952 0.613 25868 8764 1 17 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.338 -0.497 25868 8765 1 17 . 1 1 68 68 ALA H H 68 9.060 9.060 8.087 0.973 25868 8766 1 17 . 1 1 69 69 LYS N N 69 119.434 119.434 118.666 0.768 25868 8767 1 17 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.009 -0.019 25868 8768 1 17 . 1 1 69 69 LYS C C 69 178.929 178.929 179.029 -0.100 25868 8769 1 17 . 1 1 69 69 LYS CA C 69 59.535 59.535 58.897 0.638 25868 8770 1 17 . 1 1 69 69 LYS CB C 69 32.110 32.110 31.881 0.229 25868 8771 1 17 . 1 1 69 69 LYS H H 69 7.997 7.997 8.084 -0.087 25868 8772 1 17 . 1 1 70 70 SER N N 70 116.406 116.406 115.007 1.399 25868 8773 1 17 . 1 1 70 70 SER HA H 70 3.908 3.908 4.256 -0.348 25868 8774 1 17 . 1 1 70 70 SER C C 70 175.957 175.957 176.707 -0.750 25868 8775 1 17 . 1 1 70 70 SER CA C 70 62.776 62.776 60.472 2.304 25868 8776 1 17 . 1 1 70 70 SER CB C 70 60.389 60.389 62.094 -1.705 25868 8777 1 17 . 1 1 70 70 SER H H 70 8.105 8.105 7.599 0.506 25868 8778 1 17 . 1 1 71 71 LEU N N 71 123.712 123.712 123.717 -0.005 25868 8779 1 17 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.204 -0.123 25868 8780 1 17 . 1 1 71 71 LEU C C 71 176.893 176.893 178.546 -1.653 25868 8781 1 17 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.323 0.654 25868 8782 1 17 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.005 0.439 25868 8783 1 17 . 1 1 71 71 LEU H H 71 8.315 8.315 7.994 0.321 25868 8784 1 17 . 1 1 72 72 LYS N N 72 117.431 117.431 117.869 -0.438 25868 8785 1 17 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.977 -0.115 25868 8786 1 17 . 1 1 72 72 LYS C C 72 179.617 179.617 179.024 0.593 25868 8787 1 17 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.776 -0.235 25868 8788 1 17 . 1 1 72 72 LYS CB C 72 31.990 31.990 32.252 -0.262 25868 8789 1 17 . 1 1 72 72 LYS H H 72 7.785 7.785 7.766 0.019 25868 8790 1 17 . 1 1 73 73 GLU N N 73 117.402 117.402 119.622 -2.220 25868 8791 1 17 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.132 -0.113 25868 8792 1 17 . 1 1 73 73 GLU C C 73 178.475 178.475 178.784 -0.309 25868 8793 1 17 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.940 -0.295 25868 8794 1 17 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.593 -0.184 25868 8795 1 17 . 1 1 73 73 GLU H H 73 7.920 7.920 8.073 -0.153 25868 8796 1 17 . 1 1 74 74 ALA N N 74 122.211 122.211 122.644 -0.433 25868 8797 1 17 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.463 -0.144 25868 8798 1 17 . 1 1 74 74 ALA C C 74 178.839 178.839 179.484 -0.645 25868 8799 1 17 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.836 -0.458 25868 8800 1 17 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.967 -1.437 25868 8801 1 17 . 1 1 74 74 ALA H H 74 8.010 8.010 7.753 0.257 25868 8802 1 17 . 1 1 75 75 ILE N N 75 113.486 113.486 118.327 -4.841 25868 8803 1 17 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.836 -0.421 25868 8804 1 17 . 1 1 75 75 ILE C C 75 177.333 177.333 178.905 -1.572 25868 8805 1 17 . 1 1 75 75 ILE CA C 75 65.814 65.814 63.328 2.486 25868 8806 1 17 . 1 1 75 75 ILE CB C 75 38.197 38.197 36.806 1.391 25868 8807 1 17 . 1 1 75 75 ILE H H 75 7.405 7.405 8.015 -0.610 25868 8808 1 17 . 1 1 76 76 THR N N 76 105.977 105.977 112.181 -6.204 25868 8809 1 17 . 1 1 76 76 THR HA H 76 3.963 3.963 4.110 -0.147 25868 8810 1 17 . 1 1 76 76 THR C C 76 174.609 174.609 175.234 -0.625 25868 8811 1 17 . 1 1 76 76 THR CA C 76 63.773 63.773 64.426 -0.653 25868 8812 1 17 . 1 1 76 76 THR CB C 76 68.757 68.757 68.711 0.046 25868 8813 1 17 . 1 1 76 76 THR H H 76 7.217 7.217 7.911 -0.694 25868 8814 1 17 . 1 1 77 77 ALA N N 77 122.534 122.534 123.067 -0.533 25868 8815 1 17 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.491 -0.074 25868 8816 1 17 . 1 1 77 77 ALA C C 77 177.085 177.085 177.739 -0.654 25868 8817 1 17 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.635 -0.007 25868 8818 1 17 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.645 0.136 25868 8819 1 17 . 1 1 77 77 ALA H H 77 7.486 7.486 7.179 0.307 25868 8820 1 17 . 1 1 78 78 ILE N N 78 123.223 123.223 122.159 1.064 25868 8821 1 17 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.078 0.134 25868 8822 1 17 . 1 1 78 78 ILE C C 78 174.939 174.939 174.063 0.876 25868 8823 1 17 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.579 0.219 25868 8824 1 17 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.962 1.654 25868 8825 1 17 . 1 1 78 78 ILE H H 78 7.428 7.428 7.351 0.077 25868 8826 1 17 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.455 -0.017 25868 8827 1 17 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.964 1.121 25868 8828 1 17 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.103 0.206 25868 8829 1 17 . 1 1 83 83 GLY N N 83 105.726 105.726 109.777 -4.051 25868 8830 1 17 . 1 1 83 83 GLY C C 83 175.765 175.765 175.640 0.125 25868 8831 1 17 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.405 1.086 25868 8832 1 17 . 1 1 83 83 GLY H H 83 7.613 7.613 8.503 -0.890 25868 8833 1 17 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.026 -0.142 25868 8834 1 17 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.252 2.069 25868 8835 1 17 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.850 0.977 25868 8836 1 17 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.377 -0.393 25868 8837 1 17 . 1 1 86 86 GLU C C 86 179.163 179.163 178.824 0.339 25868 8838 1 17 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.892 0.304 25868 8839 1 17 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.553 0.375 25868 8840 1 17 . 1 1 86 86 GLU H H 86 7.965 7.965 8.416 -0.451 25868 8841 1 17 . 1 1 87 87 ALA N N 87 122.092 122.092 122.234 -0.142 25868 8842 1 17 . 1 1 87 87 ALA HA H 87 4.199 4.199 3.874 0.325 25868 8843 1 17 . 1 1 87 87 ALA C C 87 178.980 178.980 179.172 -0.192 25868 8844 1 17 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.988 -0.319 25868 8845 1 17 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.245 0.168 25868 8846 1 17 . 1 1 87 87 ALA H H 87 8.108 8.108 7.839 0.269 25868 8847 1 17 . 1 1 88 88 LYS N N 88 118.808 118.808 119.103 -0.295 25868 8848 1 17 . 1 1 88 88 LYS HA H 88 3.893 3.893 4.007 -0.114 25868 8849 1 17 . 1 1 88 88 LYS C C 88 179.341 179.341 178.922 0.419 25868 8850 1 17 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.991 1.012 25868 8851 1 17 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.166 0.060 25868 8852 1 17 . 1 1 88 88 LYS H H 88 8.501 8.501 7.660 0.841 25868 8853 1 17 . 1 1 89 89 GLU N N 89 119.454 119.454 118.649 0.805 25868 8854 1 17 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.963 0.032 25868 8855 1 17 . 1 1 89 89 GLU C C 89 179.017 179.017 178.876 0.141 25868 8856 1 17 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.949 -0.006 25868 8857 1 17 . 1 1 89 89 GLU CB C 89 28.832 28.832 29.337 -0.504 25868 8858 1 17 . 1 1 89 89 GLU H H 89 7.544 7.544 7.490 0.054 25868 8859 1 17 . 1 1 90 90 MET N N 90 119.262 119.262 118.287 0.975 25868 8860 1 17 . 1 1 90 90 MET HA H 90 3.284 3.284 3.710 -0.426 25868 8861 1 17 . 1 1 90 90 MET C C 90 177.003 177.003 178.168 -1.165 25868 8862 1 17 . 1 1 90 90 MET CA C 90 59.168 59.168 58.586 0.582 25868 8863 1 17 . 1 1 90 90 MET CB C 90 33.468 33.468 31.856 1.612 25868 8864 1 17 . 1 1 90 90 MET H H 90 7.600 7.600 7.381 0.219 25868 8865 1 17 . 1 1 91 91 ALA N N 91 120.041 120.041 121.593 -1.552 25868 8866 1 17 . 1 1 91 91 ALA HA H 91 3.868 3.868 4.015 -0.147 25868 8867 1 17 . 1 1 91 91 ALA C C 91 179.039 179.039 179.245 -0.206 25868 8868 1 17 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.073 -0.043 25868 8869 1 17 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.040 0.045 25868 8870 1 17 . 1 1 91 91 ALA H H 91 8.212 8.212 7.711 0.501 25868 8871 1 17 . 1 1 92 92 LYS N N 92 118.442 118.442 118.142 0.300 25868 8872 1 17 . 1 1 92 92 LYS HA H 92 3.922 3.922 4.272 -0.350 25868 8873 1 17 . 1 1 92 92 LYS C C 92 178.874 178.874 179.111 -0.237 25868 8874 1 17 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.056 0.065 25868 8875 1 17 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.171 0.072 25868 8876 1 17 . 1 1 92 92 LYS H H 92 7.819 7.819 7.588 0.231 25868 8877 1 17 . 1 1 93 93 LYS N N 93 119.228 119.228 118.693 0.535 25868 8878 1 17 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.591 -0.014 25868 8879 1 17 . 1 1 93 93 LYS C C 93 176.618 176.618 178.125 -1.507 25868 8880 1 17 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.550 -0.424 25868 8881 1 17 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.574 -0.429 25868 8882 1 17 . 1 1 93 93 LYS H H 93 7.449 7.449 7.349 0.100 25868 8883 1 17 . 1 1 94 94 ALA N N 94 117.825 117.825 121.233 -3.408 25868 8884 1 17 . 1 1 94 94 ALA HA H 94 3.781 3.781 4.052 -0.271 25868 8885 1 17 . 1 1 94 94 ALA C C 94 178.736 178.736 179.583 -0.847 25868 8886 1 17 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.137 -0.259 25868 8887 1 17 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.396 -1.153 25868 8888 1 17 . 1 1 94 94 ALA H H 94 7.698 7.698 7.612 0.086 25868 8889 1 17 . 1 1 95 95 GLU N N 95 115.361 115.361 118.425 -3.064 25868 8890 1 17 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.953 -0.044 25868 8891 1 17 . 1 1 95 95 GLU C C 95 178.984 178.984 179.226 -0.242 25868 8892 1 17 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.419 -0.039 25868 8893 1 17 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.401 0.075 25868 8894 1 17 . 1 1 95 95 GLU H H 95 7.907 7.907 7.640 0.267 25868 8895 1 17 . 1 1 96 96 GLU N N 96 121.608 121.608 119.747 1.861 25868 8896 1 17 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.037 -0.088 25868 8897 1 17 . 1 1 96 96 GLU C C 96 180.249 180.249 179.102 1.147 25868 8898 1 17 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.040 0.157 25868 8899 1 17 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.061 -0.181 25868 8900 1 17 . 1 1 96 96 GLU H H 96 7.815 7.815 7.692 0.123 25868 8901 1 17 . 1 1 97 97 TRP N N 97 122.511 122.511 119.207 3.304 25868 8902 1 17 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.250 0.148 25868 8903 1 17 . 1 1 97 97 TRP C C 97 178.007 178.007 178.741 -0.734 25868 8904 1 17 . 1 1 97 97 TRP CA C 97 57.736 57.736 59.009 -1.273 25868 8905 1 17 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.116 -0.138 25868 8906 1 17 . 1 1 97 97 TRP H H 97 8.069 8.069 8.179 -0.110 25868 8907 1 17 . 1 1 98 98 LEU N N 98 119.235 119.235 121.254 -2.019 25868 8908 1 17 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.117 -0.034 25868 8909 1 17 . 1 1 98 98 LEU C C 98 178.599 178.599 178.621 -0.022 25868 8910 1 17 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.121 -0.467 25868 8911 1 17 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.429 0.536 25868 8912 1 17 . 1 1 98 98 LEU H H 98 8.077 8.077 7.727 0.350 25868 8913 1 17 . 1 1 99 99 GLN N N 99 117.609 117.609 117.034 0.575 25868 8914 1 17 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.058 0.058 25868 8915 1 17 . 1 1 99 99 GLN C C 99 177.636 177.636 177.599 0.037 25868 8916 1 17 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.928 -0.208 25868 8917 1 17 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.236 0.010 25868 8918 1 17 . 1 1 99 99 GLN H H 99 8.077 8.077 7.689 0.388 25868 8919 1 17 . 1 1 100 100 ALA N N 100 122.106 122.106 121.225 0.881 25868 8920 1 17 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.236 0.069 25868 8921 1 17 . 1 1 100 100 ALA C C 100 179.424 179.424 179.700 -0.276 25868 8922 1 17 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.284 -0.231 25868 8923 1 17 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.216 -0.663 25868 8924 1 17 . 1 1 100 100 ALA H H 100 7.944 7.944 7.530 0.414 25868 8925 1 17 . 1 1 101 101 GLU N N 101 117.817 117.817 116.795 1.022 25868 8926 1 17 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.317 0.039 25868 8927 1 17 . 1 1 101 101 GLU C C 101 177.415 177.415 177.588 -0.173 25868 8928 1 17 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.621 -0.608 25868 8929 1 17 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.231 0.168 25868 8930 1 17 . 1 1 101 101 GLU H H 101 8.162 8.162 8.130 0.032 25868 8931 1 17 . 1 1 102 102 GLN N N 102 118.194 118.194 119.299 -1.105 25868 8932 1 17 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.382 -0.048 25868 8933 1 17 . 1 1 102 102 GLN C C 102 175.755 175.755 175.497 0.258 25868 8934 1 17 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.522 0.805 25868 8935 1 17 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.851 1.443 25868 8936 1 17 . 1 1 102 102 GLN H H 102 8.094 8.094 7.973 0.121 25868 8937 1 17 . 1 1 103 103 ASN N N 103 119.032 119.032 123.091 -4.059 25868 8938 1 17 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.858 -0.068 25868 8939 1 17 . 1 1 103 103 ASN C C 103 173.949 173.949 173.755 0.194 25868 8940 1 17 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.236 -0.207 25868 8941 1 17 . 1 1 103 103 ASN CB C 103 39.050 39.050 40.532 -1.482 25868 8942 1 17 . 1 1 103 103 ASN H H 103 8.149 8.149 8.389 -0.240 25868 8943 1 18 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.292 0.282 25868 8944 1 18 . 1 1 2 2 ASP C C 2 176.630 176.630 177.866 -1.236 25868 8945 1 18 . 1 1 2 2 ASP CA C 2 55.042 55.042 56.707 -1.665 25868 8946 1 18 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.043 0.858 25868 8947 1 18 . 1 1 3 3 GLU N N 3 121.683 121.683 119.948 1.735 25868 8948 1 18 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.973 0.207 25868 8949 1 18 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.234 -1.338 25868 8950 1 18 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.306 0.101 25868 8951 1 18 . 1 1 3 3 GLU H H 3 8.889 8.889 8.672 0.217 25868 8952 1 18 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.139 0.306 25868 8953 1 18 . 1 1 4 4 ASN C C 4 176.095 176.095 177.720 -1.625 25868 8954 1 18 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.552 -0.907 25868 8955 1 18 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.948 -0.142 25868 8956 1 18 . 1 1 5 5 ILE N N 5 119.355 119.355 120.580 -1.225 25868 8957 1 18 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.673 0.204 25868 8958 1 18 . 1 1 5 5 ILE CA C 5 64.081 64.081 65.746 -1.665 25868 8959 1 18 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.677 0.014 25868 8960 1 18 . 1 1 5 5 ILE H H 5 8.018 8.018 7.837 0.181 25868 8961 1 18 . 1 1 6 6 ALA N N 6 123.430 123.430 121.225 2.205 25868 8962 1 18 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.020 0.229 25868 8963 1 18 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.864 -0.693 25868 8964 1 18 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.298 -0.054 25868 8965 1 18 . 1 1 6 6 ALA H H 6 8.041 8.041 7.849 0.192 25868 8966 1 18 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.003 0.027 25868 8967 1 18 . 1 1 7 7 LYS C C 7 178.778 178.778 179.114 -0.336 25868 8968 1 18 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.050 -0.296 25868 8969 1 18 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.228 -0.215 25868 8970 1 18 . 1 1 8 8 PHE N N 8 120.439 120.439 116.971 3.468 25868 8971 1 18 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.426 0.248 25868 8972 1 18 . 1 1 8 8 PHE C C 8 177.470 177.470 178.102 -0.632 25868 8973 1 18 . 1 1 8 8 PHE CA C 8 59.155 59.155 58.957 0.198 25868 8974 1 18 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.336 0.940 25868 8975 1 18 . 1 1 8 8 PHE H H 8 7.908 7.908 7.891 0.017 25868 8976 1 18 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.298 -0.169 25868 8977 1 18 . 1 1 9 9 GLU CA C 9 59.112 59.112 58.644 0.468 25868 8978 1 18 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.333 0.461 25868 8979 1 18 . 1 1 11 11 ALA N N 11 122.712 122.712 119.603 3.109 25868 8980 1 18 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.465 -0.259 25868 8981 1 18 . 1 1 11 11 ALA CA C 11 54.170 54.170 52.034 2.136 25868 8982 1 18 . 1 1 11 11 ALA CB C 11 18.261 18.261 20.032 -1.771 25868 8983 1 18 . 1 1 11 11 ALA H H 11 7.945 7.945 7.438 0.507 25868 8984 1 18 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.418 -0.297 25868 8985 1 18 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.488 0.678 25868 8986 1 18 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.510 -2.510 25868 8987 1 18 . 1 1 13 13 LYS N N 13 120.452 120.452 117.022 3.430 25868 8988 1 18 . 1 1 13 13 LYS HA H 13 4.040 4.040 3.480 0.560 25868 8989 1 18 . 1 1 13 13 LYS CA C 13 57.813 57.813 58.460 -0.647 25868 8990 1 18 . 1 1 13 13 LYS CB C 13 32.327 32.327 31.199 1.128 25868 8991 1 18 . 1 1 13 13 LYS H H 13 8.017 8.017 7.434 0.583 25868 8992 1 18 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.180 -0.026 25868 8993 1 18 . 1 1 14 14 LYS CA C 14 57.675 57.675 55.535 2.139 25868 8994 1 18 . 1 1 14 14 LYS CB C 14 32.196 32.196 31.542 0.654 25868 8995 1 18 . 1 1 14 14 LYS H H 14 8.011 8.011 8.056 -0.045 25868 8996 1 18 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.771 -0.499 25868 8997 1 18 . 1 1 15 15 ALA C C 15 179.056 179.056 177.707 1.349 25868 8998 1 18 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.828 1.143 25868 8999 1 18 . 1 1 15 15 ALA CB C 15 18.684 18.684 20.137 -1.453 25868 9000 1 18 . 1 1 16 16 GLU N N 16 120.136 120.136 117.593 2.543 25868 9001 1 18 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.453 -0.238 25868 9002 1 18 . 1 1 16 16 GLU C C 16 179.176 179.176 175.372 3.804 25868 9003 1 18 . 1 1 16 16 GLU CA C 16 58.499 58.499 56.547 1.952 25868 9004 1 18 . 1 1 16 16 GLU CB C 16 29.915 29.915 30.670 -0.755 25868 9005 1 18 . 1 1 16 16 GLU H H 16 8.599 8.599 7.969 0.630 25868 9006 1 18 . 1 1 17 17 GLU N N 17 120.683 120.683 119.185 1.498 25868 9007 1 18 . 1 1 17 17 GLU HA H 17 4.074 4.074 3.923 0.151 25868 9008 1 18 . 1 1 17 17 GLU CA C 17 58.104 58.104 58.504 -0.400 25868 9009 1 18 . 1 1 17 17 GLU CB C 17 29.718 29.718 28.775 0.943 25868 9010 1 18 . 1 1 17 17 GLU H H 17 8.009 8.009 8.446 -0.437 25868 9011 1 18 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.337 -0.007 25868 9012 1 18 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.044 0.454 25868 9013 1 18 . 1 1 18 18 LEU CB C 18 41.969 41.969 41.801 0.168 25868 9014 1 18 . 1 1 18 18 LEU H H 18 7.614 7.614 7.925 -0.311 25868 9015 1 18 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.598 -0.189 25868 9016 1 18 . 1 1 19 19 ASN C C 19 174.609 174.609 175.129 -0.520 25868 9017 1 18 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.334 0.342 25868 9018 1 18 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.503 0.322 25868 9019 1 18 . 1 1 20 20 GLN N N 20 118.736 118.736 122.769 -4.033 25868 9020 1 18 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.150 0.310 25868 9021 1 18 . 1 1 20 20 GLN C C 20 176.659 176.659 176.709 -0.050 25868 9022 1 18 . 1 1 20 20 GLN CA C 20 54.688 54.688 57.862 -3.174 25868 9023 1 18 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.017 -0.853 25868 9024 1 18 . 1 1 20 20 GLN H H 20 8.340 8.340 8.333 0.007 25868 9025 1 18 . 1 1 21 21 GLY N N 21 111.864 111.864 105.291 6.573 25868 9026 1 18 . 1 1 21 21 GLY CA C 21 47.053 47.053 44.892 2.161 25868 9027 1 18 . 1 1 21 21 GLY H H 21 8.455 8.455 7.993 0.462 25868 9028 1 18 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.251 0.012 25868 9029 1 18 . 1 1 23 23 LEU C C 23 179.620 179.620 177.332 2.288 25868 9030 1 18 . 1 1 23 23 LEU CA C 23 56.394 56.394 55.589 0.805 25868 9031 1 18 . 1 1 23 23 LEU CB C 23 41.551 41.551 41.933 -0.382 25868 9032 1 18 . 1 1 24 24 MET N N 24 120.657 120.657 115.176 5.481 25868 9033 1 18 . 1 1 24 24 MET HA H 24 4.077 4.077 4.697 -0.620 25868 9034 1 18 . 1 1 24 24 MET CB C 24 34.035 34.035 35.407 -1.371 25868 9035 1 18 . 1 1 24 24 MET H H 24 8.219 8.219 7.641 0.578 25868 9036 1 18 . 1 1 25 25 GLY N N 25 106.956 106.956 107.530 -0.574 25868 9037 1 18 . 1 1 25 25 GLY C C 25 175.016 175.016 175.159 -0.143 25868 9038 1 18 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.279 1.492 25868 9039 1 18 . 1 1 25 25 GLY H H 25 8.589 8.589 8.632 -0.043 25868 9040 1 18 . 1 1 26 26 ARG N N 26 119.970 119.970 123.644 -3.674 25868 9041 1 18 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.382 -0.166 25868 9042 1 18 . 1 1 26 26 ARG C C 26 177.966 177.966 177.753 0.213 25868 9043 1 18 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.530 0.197 25868 9044 1 18 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.168 0.095 25868 9045 1 18 . 1 1 26 26 ARG H H 26 8.297 8.297 7.878 0.419 25868 9046 1 18 . 1 1 27 27 ALA N N 27 121.499 121.499 121.574 -0.075 25868 9047 1 18 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.286 -0.022 25868 9048 1 18 . 1 1 27 27 ALA C C 27 179.878 179.878 179.360 0.518 25868 9049 1 18 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.833 0.867 25868 9050 1 18 . 1 1 27 27 ALA CB C 27 18.323 18.323 17.941 0.382 25868 9051 1 18 . 1 1 27 27 ALA H H 27 7.816 7.816 8.408 -0.592 25868 9052 1 18 . 1 1 28 28 LEU N N 28 117.285 117.285 118.139 -0.854 25868 9053 1 18 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.809 0.218 25868 9054 1 18 . 1 1 28 28 LEU C C 28 178.158 178.158 178.569 -0.411 25868 9055 1 18 . 1 1 28 28 LEU CA C 28 58.094 58.094 56.827 1.267 25868 9056 1 18 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.889 0.365 25868 9057 1 18 . 1 1 28 28 LEU H H 28 8.066 8.066 7.569 0.497 25868 9058 1 18 . 1 1 29 29 TYR N N 29 119.594 119.594 120.386 -0.792 25868 9059 1 18 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.375 -0.381 25868 9060 1 18 . 1 1 29 29 TYR C C 29 176.382 176.382 177.438 -1.056 25868 9061 1 18 . 1 1 29 29 TYR CA C 29 62.667 62.667 62.059 0.607 25868 9062 1 18 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.464 0.446 25868 9063 1 18 . 1 1 29 29 TYR H H 29 8.568 8.568 8.243 0.325 25868 9064 1 18 . 1 1 30 30 ASN N N 30 116.978 116.978 117.712 -0.734 25868 9065 1 18 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.148 0.113 25868 9066 1 18 . 1 1 30 30 ASN C C 30 178.521 178.521 177.481 1.040 25868 9067 1 18 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.216 -0.292 25868 9068 1 18 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.064 -1.601 25868 9069 1 18 . 1 1 30 30 ASN H H 30 8.290 8.290 7.742 0.548 25868 9070 1 18 . 1 1 31 31 ILE N N 31 122.107 122.107 120.173 1.934 25868 9071 1 18 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.830 -0.473 25868 9072 1 18 . 1 1 31 31 ILE C C 31 178.007 178.007 177.749 0.258 25868 9073 1 18 . 1 1 31 31 ILE CA C 31 66.197 66.197 65.327 0.870 25868 9074 1 18 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.727 -0.041 25868 9075 1 18 . 1 1 31 31 ILE H H 31 8.006 8.006 7.627 0.379 25868 9076 1 18 . 1 1 32 32 GLY N N 32 107.810 107.810 107.844 -0.034 25868 9077 1 18 . 1 1 32 32 GLY C C 32 175.187 175.187 175.712 -0.525 25868 9078 1 18 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.682 1.838 25868 9079 1 18 . 1 1 32 32 GLY H H 32 7.880 7.880 7.758 0.122 25868 9080 1 18 . 1 1 33 33 LEU N N 33 120.587 120.587 120.775 -0.188 25868 9081 1 18 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.056 0.000 25868 9082 1 18 . 1 1 33 33 LEU C C 33 180.635 180.635 178.934 1.701 25868 9083 1 18 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.626 0.526 25868 9084 1 18 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.677 0.000 25868 9085 1 18 . 1 1 33 33 LEU H H 33 8.117 8.117 8.068 0.049 25868 9086 1 18 . 1 1 34 34 GLU N N 34 120.332 120.332 117.981 2.351 25868 9087 1 18 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.148 -0.175 25868 9088 1 18 . 1 1 34 34 GLU C C 34 179.479 179.479 178.971 0.508 25868 9089 1 18 . 1 1 34 34 GLU CA C 34 58.862 58.862 58.778 0.084 25868 9090 1 18 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.803 0.348 25868 9091 1 18 . 1 1 34 34 GLU H H 34 7.763 7.763 7.634 0.129 25868 9092 1 18 . 1 1 35 35 LYS N N 35 118.642 118.642 119.516 -0.874 25868 9093 1 18 . 1 1 35 35 LYS HA H 35 3.913 3.913 3.899 0.014 25868 9094 1 18 . 1 1 35 35 LYS C C 35 179.149 179.149 178.334 0.815 25868 9095 1 18 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.785 -0.943 25868 9096 1 18 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.701 -0.987 25868 9097 1 18 . 1 1 35 35 LYS H H 35 8.573 8.573 7.474 1.099 25868 9098 1 18 . 1 1 36 36 ASN N N 36 119.047 119.047 116.708 2.339 25868 9099 1 18 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.478 -0.170 25868 9100 1 18 . 1 1 36 36 ASN C C 36 179.782 179.782 177.780 2.002 25868 9101 1 18 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.575 0.084 25868 9102 1 18 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.230 -0.038 25868 9103 1 18 . 1 1 36 36 ASN H H 36 8.348 8.348 7.795 0.553 25868 9104 1 18 . 1 1 37 37 LYS N N 37 121.477 121.477 120.338 1.139 25868 9105 1 18 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.142 -0.058 25868 9106 1 18 . 1 1 37 37 LYS C C 37 177.938 177.938 177.659 0.279 25868 9107 1 18 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.384 0.906 25868 9108 1 18 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.036 0.173 25868 9109 1 18 . 1 1 37 37 LYS H H 37 7.956 7.956 7.875 0.081 25868 9110 1 18 . 1 1 38 38 MET N N 38 114.976 114.976 116.473 -1.497 25868 9111 1 18 . 1 1 38 38 MET HA H 38 4.519 4.519 4.471 0.048 25868 9112 1 18 . 1 1 38 38 MET C C 38 175.847 175.847 176.658 -0.811 25868 9113 1 18 . 1 1 38 38 MET CA C 38 55.264 55.264 55.608 -0.344 25868 9114 1 18 . 1 1 38 38 MET CB C 38 33.388 33.388 32.821 0.567 25868 9115 1 18 . 1 1 38 38 MET H H 38 7.394 7.394 7.390 0.004 25868 9116 1 18 . 1 1 39 39 GLY N N 39 107.575 107.575 107.663 -0.088 25868 9117 1 18 . 1 1 39 39 GLY C C 39 174.994 174.994 174.715 0.279 25868 9118 1 18 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.504 0.247 25868 9119 1 18 . 1 1 39 39 GLY H H 39 7.906 7.906 7.646 0.260 25868 9120 1 18 . 1 1 40 40 LYS N N 40 122.563 122.563 122.903 -0.340 25868 9121 1 18 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.368 0.368 25868 9122 1 18 . 1 1 40 40 LYS C C 40 175.847 175.847 175.620 0.227 25868 9123 1 18 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.436 -1.056 25868 9124 1 18 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.883 -0.461 25868 9125 1 18 . 1 1 40 40 LYS H H 40 7.958 7.958 7.827 0.131 25868 9126 1 18 . 1 1 41 41 ALA N N 41 123.662 123.662 124.202 -0.540 25868 9127 1 18 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.074 0.061 25868 9128 1 18 . 1 1 41 41 ALA C C 41 178.736 178.736 178.635 0.101 25868 9129 1 18 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.835 0.894 25868 9130 1 18 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.870 1.096 25868 9131 1 18 . 1 1 41 41 ALA H H 41 7.487 7.487 7.952 -0.465 25868 9132 1 18 . 1 1 42 42 ARG N N 42 118.612 118.612 118.871 -0.259 25868 9133 1 18 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.011 -0.011 25868 9134 1 18 . 1 1 42 42 ARG C C 42 178.901 178.901 177.894 1.007 25868 9135 1 18 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.169 -0.372 25868 9136 1 18 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.650 -0.776 25868 9137 1 18 . 1 1 42 42 ARG H H 42 8.864 8.864 8.638 0.226 25868 9138 1 18 . 1 1 43 43 GLU N N 43 120.194 120.194 120.011 0.183 25868 9139 1 18 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.997 0.126 25868 9140 1 18 . 1 1 43 43 GLU C C 43 178.901 178.901 178.201 0.700 25868 9141 1 18 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.430 0.008 25868 9142 1 18 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.890 1.044 25868 9143 1 18 . 1 1 43 43 GLU H H 43 8.062 8.062 8.524 -0.462 25868 9144 1 18 . 1 1 44 44 ALA N N 44 121.369 121.369 122.074 -0.705 25868 9145 1 18 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.714 -0.141 25868 9146 1 18 . 1 1 44 44 ALA C C 44 177.911 177.911 178.895 -0.984 25868 9147 1 18 . 1 1 44 44 ALA CA C 44 55.762 55.762 54.689 1.073 25868 9148 1 18 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.164 0.384 25868 9149 1 18 . 1 1 44 44 ALA H H 44 8.627 8.627 7.808 0.819 25868 9150 1 18 . 1 1 45 45 ALA N N 45 117.108 117.108 120.779 -3.671 25868 9151 1 18 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.078 0.007 25868 9152 1 18 . 1 1 45 45 ALA C C 45 178.078 178.078 179.786 -1.708 25868 9153 1 18 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.109 0.467 25868 9154 1 18 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.197 -0.756 25868 9155 1 18 . 1 1 45 45 ALA H H 45 8.310 8.310 7.716 0.594 25868 9156 1 18 . 1 1 46 46 GLU N N 46 115.941 115.941 119.453 -3.512 25868 9157 1 18 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.173 -0.254 25868 9158 1 18 . 1 1 46 46 GLU C C 46 179.341 179.341 179.573 -0.232 25868 9159 1 18 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.516 0.241 25868 9160 1 18 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.468 -0.331 25868 9161 1 18 . 1 1 46 46 GLU H H 46 7.451 7.451 8.018 -0.567 25868 9162 1 18 . 1 1 47 47 TYR N N 47 117.925 117.925 118.572 -0.647 25868 9163 1 18 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.274 -0.429 25868 9164 1 18 . 1 1 47 47 TYR C C 47 178.544 178.544 178.658 -0.114 25868 9165 1 18 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.114 4.550 25868 9166 1 18 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.862 -0.548 25868 9167 1 18 . 1 1 47 47 TYR H H 47 7.746 7.746 7.954 -0.208 25868 9168 1 18 . 1 1 48 48 PHE N N 48 118.758 118.758 119.346 -0.588 25868 9169 1 18 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.444 0.304 25868 9170 1 18 . 1 1 48 48 PHE C C 48 178.227 178.227 178.140 0.087 25868 9171 1 18 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.568 -0.015 25868 9172 1 18 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.192 -0.043 25868 9173 1 18 . 1 1 48 48 PHE H H 48 9.054 9.054 8.171 0.883 25868 9174 1 18 . 1 1 49 49 PHE N N 49 120.234 120.234 122.242 -2.008 25868 9175 1 18 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.336 0.162 25868 9176 1 18 . 1 1 49 49 PHE C C 49 176.645 176.645 177.112 -0.467 25868 9177 1 18 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.791 -0.570 25868 9178 1 18 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.220 1.069 25868 9179 1 18 . 1 1 49 49 PHE H H 49 8.981 8.981 8.621 0.360 25868 9180 1 18 . 1 1 50 50 ARG N N 50 117.925 117.925 118.406 -0.481 25868 9181 1 18 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.752 0.028 25868 9182 1 18 . 1 1 50 50 ARG C C 50 179.369 179.369 178.570 0.799 25868 9183 1 18 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.243 0.586 25868 9184 1 18 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.792 0.731 25868 9185 1 18 . 1 1 50 50 ARG H H 50 8.450 8.450 8.272 0.178 25868 9186 1 18 . 1 1 51 51 ALA N N 51 120.897 120.897 122.041 -1.144 25868 9187 1 18 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.818 -0.102 25868 9188 1 18 . 1 1 51 51 ALA C C 51 177.085 177.085 178.711 -1.626 25868 9189 1 18 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.923 0.175 25868 9190 1 18 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.430 -1.164 25868 9191 1 18 . 1 1 51 51 ALA H H 51 8.697 8.697 8.024 0.673 25868 9192 1 18 . 1 1 52 52 ALA N N 52 120.007 120.007 121.044 -1.037 25868 9193 1 18 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.322 -0.253 25868 9194 1 18 . 1 1 52 52 ALA C C 52 178.067 178.067 179.654 -1.587 25868 9195 1 18 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.056 1.052 25868 9196 1 18 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.684 -1.431 25868 9197 1 18 . 1 1 52 52 ALA H H 52 8.483 8.483 7.790 0.693 25868 9198 1 18 . 1 1 53 53 ILE N N 53 116.864 116.864 118.780 -1.916 25868 9199 1 18 . 1 1 53 53 ILE HA H 53 3.183 3.183 2.942 0.241 25868 9200 1 18 . 1 1 53 53 ILE C C 53 178.323 178.323 177.507 0.816 25868 9201 1 18 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.130 0.635 25868 9202 1 18 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.494 0.982 25868 9203 1 18 . 1 1 53 53 ILE H H 53 8.033 8.033 7.762 0.271 25868 9204 1 18 . 1 1 54 54 VAL N N 54 119.604 119.604 120.109 -0.505 25868 9205 1 18 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.388 0.103 25868 9206 1 18 . 1 1 54 54 VAL C C 54 178.200 178.200 178.261 -0.061 25868 9207 1 18 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.418 -0.042 25868 9208 1 18 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.356 0.052 25868 9209 1 18 . 1 1 54 54 VAL H H 54 7.126 7.126 7.115 0.011 25868 9210 1 18 . 1 1 55 55 PHE N N 55 118.386 118.386 117.606 0.780 25868 9211 1 18 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.114 0.422 25868 9212 1 18 . 1 1 55 55 PHE C C 55 178.571 178.571 177.558 1.013 25868 9213 1 18 . 1 1 55 55 PHE CA C 55 59.487 59.487 60.982 -1.495 25868 9214 1 18 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.848 0.309 25868 9215 1 18 . 1 1 55 55 PHE H H 55 9.061 9.061 7.767 1.294 25868 9216 1 18 . 1 1 56 56 TYR N N 56 119.488 119.488 120.575 -1.087 25868 9217 1 18 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.866 0.485 25868 9218 1 18 . 1 1 56 56 TYR C C 56 178.871 178.871 176.957 1.914 25868 9219 1 18 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.976 -1.482 25868 9220 1 18 . 1 1 56 56 TYR CB C 56 37.803 37.803 37.945 -0.142 25868 9221 1 18 . 1 1 56 56 TYR H H 56 8.975 8.975 7.839 1.136 25868 9222 1 18 . 1 1 57 57 LYS N N 57 121.083 121.083 118.039 3.044 25868 9223 1 18 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.705 -0.242 25868 9224 1 18 . 1 1 57 57 LYS C C 57 178.103 178.103 178.029 0.074 25868 9225 1 18 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.789 0.056 25868 9226 1 18 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.155 -0.430 25868 9227 1 18 . 1 1 57 57 LYS H H 57 7.753 7.753 7.709 0.044 25868 9228 1 18 . 1 1 58 58 GLU N N 58 114.098 114.098 114.203 -0.105 25868 9229 1 18 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.282 -0.125 25868 9230 1 18 . 1 1 58 58 GLU C C 58 175.655 175.655 176.448 -0.793 25868 9231 1 18 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.094 -0.961 25868 9232 1 18 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.939 -0.299 25868 9233 1 18 . 1 1 58 58 GLU H H 58 7.849 7.849 7.562 0.287 25868 9234 1 18 . 1 1 59 59 HIS N N 59 115.781 115.781 113.764 2.017 25868 9235 1 18 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.165 0.045 25868 9236 1 18 . 1 1 59 59 HIS C C 59 173.784 173.784 173.914 -0.130 25868 9237 1 18 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.010 -0.599 25868 9238 1 18 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.090 -1.252 25868 9239 1 18 . 1 1 59 59 HIS H H 59 7.659 7.659 7.242 0.417 25868 9240 1 18 . 1 1 60 60 ASP N N 60 118.780 118.780 120.015 -1.235 25868 9241 1 18 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.743 0.116 25868 9242 1 18 . 1 1 60 60 ASP C C 60 175.847 175.847 176.769 -0.922 25868 9243 1 18 . 1 1 60 60 ASP CA C 60 51.803 51.803 54.002 -2.199 25868 9244 1 18 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.963 -0.832 25868 9245 1 18 . 1 1 60 60 ASP H H 60 8.660 8.660 8.100 0.560 25868 9246 1 18 . 1 1 61 61 THR N N 61 118.884 118.884 118.463 0.421 25868 9247 1 18 . 1 1 61 61 THR HA H 61 3.763 3.763 4.041 -0.278 25868 9248 1 18 . 1 1 61 61 THR C C 61 175.886 175.886 176.217 -0.331 25868 9249 1 18 . 1 1 61 61 THR CA C 61 66.159 66.159 65.602 0.557 25868 9250 1 18 . 1 1 61 61 THR CB C 61 68.168 68.168 68.815 -0.647 25868 9251 1 18 . 1 1 61 61 THR H H 61 7.955 7.955 8.227 -0.272 25868 9252 1 18 . 1 1 62 62 ASP N N 62 121.668 121.668 122.040 -0.372 25868 9253 1 18 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.350 -0.088 25868 9254 1 18 . 1 1 62 62 ASP C C 62 178.461 178.461 178.480 -0.019 25868 9255 1 18 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.529 -0.079 25868 9256 1 18 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.223 0.712 25868 9257 1 18 . 1 1 62 62 ASP H H 62 8.298 8.298 8.434 -0.136 25868 9258 1 18 . 1 1 63 63 GLY N N 63 109.003 109.003 108.372 0.631 25868 9259 1 18 . 1 1 63 63 GLY C C 63 175.517 175.517 175.411 0.106 25868 9260 1 18 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.002 0.057 25868 9261 1 18 . 1 1 63 63 GLY H H 63 8.018 8.018 8.167 -0.149 25868 9262 1 18 . 1 1 64 64 LEU N N 64 122.504 122.504 122.812 -0.308 25868 9263 1 18 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.172 -0.090 25868 9264 1 18 . 1 1 64 64 LEU C C 64 177.333 177.333 178.486 -1.153 25868 9265 1 18 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.385 1.109 25868 9266 1 18 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.922 0.185 25868 9267 1 18 . 1 1 64 64 LEU H H 64 8.073 8.073 7.725 0.348 25868 9268 1 18 . 1 1 65 65 ARG N N 65 118.626 118.626 119.052 -0.426 25868 9269 1 18 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.871 0.021 25868 9270 1 18 . 1 1 65 65 ARG C C 65 179.045 179.045 178.214 0.831 25868 9271 1 18 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.882 -0.027 25868 9272 1 18 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.028 -0.093 25868 9273 1 18 . 1 1 65 65 ARG H H 65 8.491 8.491 8.300 0.191 25868 9274 1 18 . 1 1 66 66 ARG N N 66 119.009 119.009 119.538 -0.529 25868 9275 1 18 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.948 0.019 25868 9276 1 18 . 1 1 66 66 ARG C C 66 178.943 178.943 178.265 0.678 25868 9277 1 18 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.151 0.062 25868 9278 1 18 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.871 -0.320 25868 9279 1 18 . 1 1 66 66 ARG H H 66 7.601 7.601 7.721 -0.120 25868 9280 1 18 . 1 1 67 67 ALA N N 67 122.174 122.174 120.431 1.743 25868 9281 1 18 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.267 -0.090 25868 9282 1 18 . 1 1 67 67 ALA C C 67 178.654 178.654 179.538 -0.884 25868 9283 1 18 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.814 1.280 25868 9284 1 18 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.287 -0.408 25868 9285 1 18 . 1 1 67 67 ALA H H 67 8.681 8.681 8.137 0.544 25868 9286 1 18 . 1 1 68 68 ALA N N 68 119.208 119.208 121.603 -2.395 25868 9287 1 18 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.077 -0.126 25868 9288 1 18 . 1 1 68 68 ALA C C 68 179.562 179.562 179.809 -0.247 25868 9289 1 18 . 1 1 68 68 ALA CA C 68 55.565 55.565 54.772 0.793 25868 9290 1 18 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.514 -0.673 25868 9291 1 18 . 1 1 68 68 ALA H H 68 9.060 9.060 7.765 1.295 25868 9292 1 18 . 1 1 69 69 LYS N N 69 119.434 119.434 118.270 1.164 25868 9293 1 18 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.974 0.016 25868 9294 1 18 . 1 1 69 69 LYS C C 69 178.929 178.929 178.828 0.101 25868 9295 1 18 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.468 0.067 25868 9296 1 18 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.284 -0.174 25868 9297 1 18 . 1 1 69 69 LYS H H 69 7.997 7.997 8.243 -0.246 25868 9298 1 18 . 1 1 70 70 SER N N 70 116.406 116.406 114.938 1.468 25868 9299 1 18 . 1 1 70 70 SER HA H 70 3.908 3.908 4.143 -0.235 25868 9300 1 18 . 1 1 70 70 SER C C 70 175.957 175.957 176.221 -0.264 25868 9301 1 18 . 1 1 70 70 SER CA C 70 62.776 62.776 60.464 2.312 25868 9302 1 18 . 1 1 70 70 SER CB C 70 60.389 60.389 62.249 -1.860 25868 9303 1 18 . 1 1 70 70 SER H H 70 8.105 8.105 7.984 0.121 25868 9304 1 18 . 1 1 71 71 LEU N N 71 123.712 123.712 122.901 0.811 25868 9305 1 18 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.152 -0.071 25868 9306 1 18 . 1 1 71 71 LEU C C 71 176.893 176.893 178.631 -1.738 25868 9307 1 18 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.345 0.632 25868 9308 1 18 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.797 0.647 25868 9309 1 18 . 1 1 71 71 LEU H H 71 8.315 8.315 8.042 0.273 25868 9310 1 18 . 1 1 72 72 LYS N N 72 117.431 117.431 118.728 -1.297 25868 9311 1 18 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.998 -0.136 25868 9312 1 18 . 1 1 72 72 LYS C C 72 179.617 179.617 179.641 -0.024 25868 9313 1 18 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.029 0.511 25868 9314 1 18 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.622 0.368 25868 9315 1 18 . 1 1 72 72 LYS H H 72 7.785 7.785 7.591 0.194 25868 9316 1 18 . 1 1 73 73 GLU N N 73 117.402 117.402 119.201 -1.799 25868 9317 1 18 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.156 -0.137 25868 9318 1 18 . 1 1 73 73 GLU C C 73 178.475 178.475 179.067 -0.592 25868 9319 1 18 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.660 -0.015 25868 9320 1 18 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.140 0.269 25868 9321 1 18 . 1 1 73 73 GLU H H 73 7.920 7.920 7.744 0.176 25868 9322 1 18 . 1 1 74 74 ALA N N 74 122.211 122.211 122.115 0.096 25868 9323 1 18 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.175 0.144 25868 9324 1 18 . 1 1 74 74 ALA C C 74 178.839 178.839 179.792 -0.953 25868 9325 1 18 . 1 1 74 74 ALA CA C 74 54.378 54.378 55.090 -0.712 25868 9326 1 18 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.843 -1.313 25868 9327 1 18 . 1 1 74 74 ALA H H 74 8.010 8.010 8.079 -0.069 25868 9328 1 18 . 1 1 75 75 ILE N N 75 113.486 113.486 115.923 -2.437 25868 9329 1 18 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.878 -0.463 25868 9330 1 18 . 1 1 75 75 ILE C C 75 177.333 177.333 177.637 -0.304 25868 9331 1 18 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.267 1.547 25868 9332 1 18 . 1 1 75 75 ILE CB C 75 38.197 38.197 38.169 0.028 25868 9333 1 18 . 1 1 75 75 ILE H H 75 7.405 7.405 8.070 -0.665 25868 9334 1 18 . 1 1 76 76 THR N N 76 105.977 105.977 111.769 -5.792 25868 9335 1 18 . 1 1 76 76 THR HA H 76 3.963 3.963 4.164 -0.201 25868 9336 1 18 . 1 1 76 76 THR C C 76 174.609 174.609 175.531 -0.922 25868 9337 1 18 . 1 1 76 76 THR CA C 76 63.773 63.773 63.722 0.050 25868 9338 1 18 . 1 1 76 76 THR CB C 76 68.757 68.757 69.290 -0.533 25868 9339 1 18 . 1 1 76 76 THR H H 76 7.217 7.217 7.768 -0.551 25868 9340 1 18 . 1 1 77 77 ALA N N 77 122.534 122.534 124.231 -1.697 25868 9341 1 18 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.442 -0.025 25868 9342 1 18 . 1 1 77 77 ALA C C 77 177.085 177.085 178.321 -1.236 25868 9343 1 18 . 1 1 77 77 ALA CA C 77 51.628 51.628 52.376 -0.748 25868 9344 1 18 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.393 0.388 25868 9345 1 18 . 1 1 77 77 ALA H H 77 7.486 7.486 7.333 0.153 25868 9346 1 18 . 1 1 78 78 ILE N N 78 123.223 123.223 122.285 0.938 25868 9347 1 18 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.018 0.194 25868 9348 1 18 . 1 1 78 78 ILE C C 78 174.939 174.939 174.699 0.240 25868 9349 1 18 . 1 1 78 78 ILE CA C 78 59.798 59.798 60.340 -0.542 25868 9350 1 18 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.313 2.303 25868 9351 1 18 . 1 1 78 78 ILE H H 78 7.428 7.428 7.310 0.118 25868 9352 1 18 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.266 0.172 25868 9353 1 18 . 1 1 79 79 PRO CA C 79 64.085 64.085 64.894 -0.809 25868 9354 1 18 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.164 0.145 25868 9355 1 18 . 1 1 83 83 GLY N N 83 105.726 105.726 107.536 -1.810 25868 9356 1 18 . 1 1 83 83 GLY C C 83 175.765 175.765 174.401 1.364 25868 9357 1 18 . 1 1 83 83 GLY CA C 83 46.491 46.491 44.638 1.853 25868 9358 1 18 . 1 1 83 83 GLY H H 83 7.613 7.613 7.866 -0.253 25868 9359 1 18 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.173 -0.289 25868 9360 1 18 . 1 1 84 84 ARG CA C 84 60.321 60.321 57.414 2.907 25868 9361 1 18 . 1 1 84 84 ARG CB C 84 30.827 30.827 30.384 0.443 25868 9362 1 18 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.074 -0.090 25868 9363 1 18 . 1 1 86 86 GLU C C 86 179.163 179.163 177.895 1.268 25868 9364 1 18 . 1 1 86 86 GLU CA C 86 59.196 59.196 59.023 0.173 25868 9365 1 18 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.062 -0.134 25868 9366 1 18 . 1 1 86 86 GLU H H 86 7.965 7.965 8.585 -0.620 25868 9367 1 18 . 1 1 87 87 ALA N N 87 122.092 122.092 121.823 0.269 25868 9368 1 18 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.103 0.096 25868 9369 1 18 . 1 1 87 87 ALA C C 87 178.980 178.980 179.580 -0.600 25868 9370 1 18 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.004 0.665 25868 9371 1 18 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.510 -0.097 25868 9372 1 18 . 1 1 87 87 ALA H H 87 8.108 8.108 7.584 0.524 25868 9373 1 18 . 1 1 88 88 LYS N N 88 118.808 118.808 119.945 -1.137 25868 9374 1 18 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.985 -0.092 25868 9375 1 18 . 1 1 88 88 LYS C C 88 179.341 179.341 178.356 0.985 25868 9376 1 18 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.792 1.211 25868 9377 1 18 . 1 1 88 88 LYS CB C 88 32.226 32.226 31.776 0.450 25868 9378 1 18 . 1 1 88 88 LYS H H 88 8.501 8.501 7.718 0.783 25868 9379 1 18 . 1 1 89 89 GLU N N 89 119.454 119.454 118.044 1.410 25868 9380 1 18 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.967 0.028 25868 9381 1 18 . 1 1 89 89 GLU C C 89 179.017 179.017 179.001 0.016 25868 9382 1 18 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.821 0.122 25868 9383 1 18 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.880 -0.047 25868 9384 1 18 . 1 1 89 89 GLU H H 89 7.544 7.544 7.737 -0.193 25868 9385 1 18 . 1 1 90 90 MET N N 90 119.262 119.262 117.399 1.863 25868 9386 1 18 . 1 1 90 90 MET HA H 90 3.284 3.284 3.906 -0.622 25868 9387 1 18 . 1 1 90 90 MET C C 90 177.003 177.003 177.940 -0.937 25868 9388 1 18 . 1 1 90 90 MET CA C 90 59.168 59.168 58.149 1.019 25868 9389 1 18 . 1 1 90 90 MET CB C 90 33.468 33.468 31.928 1.540 25868 9390 1 18 . 1 1 90 90 MET H H 90 7.600 7.600 7.485 0.115 25868 9391 1 18 . 1 1 91 91 ALA N N 91 120.041 120.041 123.140 -3.099 25868 9392 1 18 . 1 1 91 91 ALA HA H 91 3.868 3.868 4.028 -0.160 25868 9393 1 18 . 1 1 91 91 ALA C C 91 179.039 179.039 179.440 -0.401 25868 9394 1 18 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.152 -0.122 25868 9395 1 18 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.047 0.037 25868 9396 1 18 . 1 1 91 91 ALA H H 91 8.212 8.212 7.704 0.508 25868 9397 1 18 . 1 1 92 92 LYS N N 92 118.442 118.442 117.633 0.809 25868 9398 1 18 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.948 -0.026 25868 9399 1 18 . 1 1 92 92 LYS C C 92 178.874 178.874 179.042 -0.168 25868 9400 1 18 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.033 0.088 25868 9401 1 18 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.731 0.512 25868 9402 1 18 . 1 1 92 92 LYS H H 92 7.819 7.819 7.491 0.328 25868 9403 1 18 . 1 1 93 93 LYS N N 93 119.228 119.228 119.322 -0.094 25868 9404 1 18 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.630 -0.053 25868 9405 1 18 . 1 1 93 93 LYS C C 93 176.618 176.618 178.221 -1.603 25868 9406 1 18 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.607 -0.481 25868 9407 1 18 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.782 -0.637 25868 9408 1 18 . 1 1 93 93 LYS H H 93 7.449 7.449 7.377 0.072 25868 9409 1 18 . 1 1 94 94 ALA N N 94 117.825 117.825 121.134 -3.309 25868 9410 1 18 . 1 1 94 94 ALA HA H 94 3.781 3.781 4.034 -0.253 25868 9411 1 18 . 1 1 94 94 ALA C C 94 178.736 178.736 179.574 -0.838 25868 9412 1 18 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.362 -0.485 25868 9413 1 18 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.376 -1.133 25868 9414 1 18 . 1 1 94 94 ALA H H 94 7.698 7.698 8.012 -0.314 25868 9415 1 18 . 1 1 95 95 GLU N N 95 115.361 115.361 117.666 -2.305 25868 9416 1 18 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.115 -0.206 25868 9417 1 18 . 1 1 95 95 GLU C C 95 178.984 178.984 179.284 -0.300 25868 9418 1 18 . 1 1 95 95 GLU CA C 95 59.380 59.380 58.856 0.524 25868 9419 1 18 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.053 0.423 25868 9420 1 18 . 1 1 95 95 GLU H H 95 7.907 7.907 7.654 0.253 25868 9421 1 18 . 1 1 96 96 GLU N N 96 121.608 121.608 120.668 0.940 25868 9422 1 18 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.097 -0.148 25868 9423 1 18 . 1 1 96 96 GLU C C 96 180.249 180.249 179.105 1.144 25868 9424 1 18 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.065 0.132 25868 9425 1 18 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.215 -0.335 25868 9426 1 18 . 1 1 96 96 GLU H H 96 7.815 7.815 7.936 -0.121 25868 9427 1 18 . 1 1 97 97 TRP N N 97 122.511 122.511 119.433 3.078 25868 9428 1 18 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.392 0.006 25868 9429 1 18 . 1 1 97 97 TRP C C 97 178.007 178.007 178.980 -0.973 25868 9430 1 18 . 1 1 97 97 TRP CA C 97 57.736 57.736 59.125 -1.389 25868 9431 1 18 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.333 -0.355 25868 9432 1 18 . 1 1 97 97 TRP H H 97 8.069 8.069 7.902 0.167 25868 9433 1 18 . 1 1 98 98 LEU N N 98 119.235 119.235 120.946 -1.711 25868 9434 1 18 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.039 0.044 25868 9435 1 18 . 1 1 98 98 LEU C C 98 178.599 178.599 178.926 -0.327 25868 9436 1 18 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.488 -0.834 25868 9437 1 18 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.777 0.188 25868 9438 1 18 . 1 1 98 98 LEU H H 98 8.077 8.077 7.998 0.079 25868 9439 1 18 . 1 1 99 99 GLN N N 99 117.609 117.609 116.968 0.641 25868 9440 1 18 . 1 1 99 99 GLN HA H 99 4.116 4.116 3.994 0.122 25868 9441 1 18 . 1 1 99 99 GLN C C 99 177.636 177.636 177.366 0.270 25868 9442 1 18 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.420 -0.700 25868 9443 1 18 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.702 -0.456 25868 9444 1 18 . 1 1 99 99 GLN H H 99 8.077 8.077 8.261 -0.184 25868 9445 1 18 . 1 1 100 100 ALA N N 100 122.106 122.106 120.665 1.441 25868 9446 1 18 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.227 0.078 25868 9447 1 18 . 1 1 100 100 ALA C C 100 179.424 179.424 179.257 0.167 25868 9448 1 18 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.358 -0.304 25868 9449 1 18 . 1 1 100 100 ALA CB C 100 18.553 18.553 19.029 -0.476 25868 9450 1 18 . 1 1 100 100 ALA H H 100 7.944 7.944 7.486 0.458 25868 9451 1 18 . 1 1 101 101 GLU N N 101 117.817 117.817 116.991 0.826 25868 9452 1 18 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.337 0.019 25868 9453 1 18 . 1 1 101 101 GLU C C 101 177.415 177.415 177.490 -0.075 25868 9454 1 18 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.444 -0.431 25868 9455 1 18 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.228 0.171 25868 9456 1 18 . 1 1 101 101 GLU H H 101 8.162 8.162 7.908 0.254 25868 9457 1 18 . 1 1 102 102 GLN N N 102 118.194 118.194 119.498 -1.304 25868 9458 1 18 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.385 -0.051 25868 9459 1 18 . 1 1 102 102 GLN C C 102 175.755 175.755 175.926 -0.171 25868 9460 1 18 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.661 0.666 25868 9461 1 18 . 1 1 102 102 GLN CB C 102 29.294 29.294 28.669 0.625 25868 9462 1 18 . 1 1 102 102 GLN H H 102 8.094 8.094 7.972 0.122 25868 9463 1 18 . 1 1 103 103 ASN N N 103 119.032 119.032 120.986 -1.954 25868 9464 1 18 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.654 0.136 25868 9465 1 18 . 1 1 103 103 ASN C C 103 173.949 173.949 175.240 -1.291 25868 9466 1 18 . 1 1 103 103 ASN CA C 103 53.029 53.029 54.588 -1.559 25868 9467 1 18 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.296 -0.246 25868 9468 1 18 . 1 1 103 103 ASN H H 103 8.149 8.149 8.722 -0.573 25868 9469 1 19 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.221 0.353 25868 9470 1 19 . 1 1 2 2 ASP C C 2 176.630 176.630 176.658 -0.028 25868 9471 1 19 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.759 0.283 25868 9472 1 19 . 1 1 2 2 ASP CB C 2 40.901 40.901 40.932 -0.031 25868 9473 1 19 . 1 1 3 3 GLU N N 3 121.683 121.683 119.959 1.724 25868 9474 1 19 . 1 1 3 3 GLU HA H 3 4.180 4.180 3.898 0.282 25868 9475 1 19 . 1 1 3 3 GLU CA C 3 57.896 57.896 58.837 -0.941 25868 9476 1 19 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.855 -0.448 25868 9477 1 19 . 1 1 3 3 GLU H H 3 8.889 8.889 8.575 0.314 25868 9478 1 19 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.191 0.254 25868 9479 1 19 . 1 1 4 4 ASN C C 4 176.095 176.095 176.853 -0.758 25868 9480 1 19 . 1 1 4 4 ASN CA C 4 54.645 54.645 56.024 -1.379 25868 9481 1 19 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.479 0.327 25868 9482 1 19 . 1 1 5 5 ILE N N 5 119.355 119.355 119.090 0.265 25868 9483 1 19 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.672 0.205 25868 9484 1 19 . 1 1 5 5 ILE CA C 5 64.081 64.081 63.886 0.195 25868 9485 1 19 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.529 0.162 25868 9486 1 19 . 1 1 5 5 ILE H H 5 8.018 8.018 7.618 0.400 25868 9487 1 19 . 1 1 6 6 ALA N N 6 123.430 123.430 121.640 1.790 25868 9488 1 19 . 1 1 6 6 ALA HA H 6 4.249 4.249 3.995 0.254 25868 9489 1 19 . 1 1 6 6 ALA CA C 6 54.171 54.171 55.072 -0.901 25868 9490 1 19 . 1 1 6 6 ALA CB C 6 18.244 18.244 17.919 0.325 25868 9491 1 19 . 1 1 6 6 ALA H H 6 8.041 8.041 8.100 -0.059 25868 9492 1 19 . 1 1 7 7 LYS HA H 7 4.030 4.030 4.038 -0.008 25868 9493 1 19 . 1 1 7 7 LYS C C 7 178.778 178.778 178.964 -0.186 25868 9494 1 19 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.118 -0.364 25868 9495 1 19 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.314 -0.301 25868 9496 1 19 . 1 1 8 8 PHE N N 8 120.439 120.439 117.803 2.636 25868 9497 1 19 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.333 0.341 25868 9498 1 19 . 1 1 8 8 PHE C C 8 177.470 177.470 178.301 -0.831 25868 9499 1 19 . 1 1 8 8 PHE CA C 8 59.155 59.155 58.755 0.400 25868 9500 1 19 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.017 1.259 25868 9501 1 19 . 1 1 8 8 PHE H H 8 7.908 7.908 7.399 0.509 25868 9502 1 19 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.104 0.025 25868 9503 1 19 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.332 -0.220 25868 9504 1 19 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.214 0.580 25868 9505 1 19 . 1 1 11 11 ALA N N 11 122.712 122.712 121.296 1.416 25868 9506 1 19 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.252 -0.046 25868 9507 1 19 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.339 0.831 25868 9508 1 19 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.295 -1.034 25868 9509 1 19 . 1 1 11 11 ALA H H 11 7.945 7.945 7.620 0.325 25868 9510 1 19 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.424 -0.303 25868 9511 1 19 . 1 1 12 12 TYR CA C 12 59.166 59.166 59.447 -0.281 25868 9512 1 19 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.436 -2.436 25868 9513 1 19 . 1 1 13 13 LYS N N 13 120.452 120.452 123.663 -3.211 25868 9514 1 19 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.601 -0.561 25868 9515 1 19 . 1 1 13 13 LYS CA C 13 57.813 57.813 54.722 3.091 25868 9516 1 19 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.497 -1.170 25868 9517 1 19 . 1 1 13 13 LYS H H 13 8.017 8.017 8.594 -0.577 25868 9518 1 19 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.373 -0.219 25868 9519 1 19 . 1 1 14 14 LYS CA C 14 57.675 57.675 57.141 0.534 25868 9520 1 19 . 1 1 14 14 LYS CB C 14 32.196 32.196 32.297 -0.101 25868 9521 1 19 . 1 1 14 14 LYS H H 14 8.011 8.011 8.435 -0.424 25868 9522 1 19 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.101 0.171 25868 9523 1 19 . 1 1 15 15 ALA C C 15 179.056 179.056 178.906 0.150 25868 9524 1 19 . 1 1 15 15 ALA CA C 15 53.971 53.971 53.854 0.117 25868 9525 1 19 . 1 1 15 15 ALA CB C 15 18.684 18.684 18.861 -0.177 25868 9526 1 19 . 1 1 16 16 GLU N N 16 120.136 120.136 117.674 2.462 25868 9527 1 19 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.132 0.083 25868 9528 1 19 . 1 1 16 16 GLU C C 16 179.176 179.176 177.132 2.044 25868 9529 1 19 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.910 0.589 25868 9530 1 19 . 1 1 16 16 GLU CB C 16 29.915 29.915 29.814 0.101 25868 9531 1 19 . 1 1 16 16 GLU H H 16 8.599 8.599 8.513 0.086 25868 9532 1 19 . 1 1 17 17 GLU N N 17 120.683 120.683 119.757 0.926 25868 9533 1 19 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.281 -0.207 25868 9534 1 19 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.037 2.067 25868 9535 1 19 . 1 1 17 17 GLU CB C 17 29.718 29.718 28.832 0.886 25868 9536 1 19 . 1 1 17 17 GLU H H 17 8.009 8.009 7.572 0.437 25868 9537 1 19 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.019 0.311 25868 9538 1 19 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.929 -0.431 25868 9539 1 19 . 1 1 18 18 LEU CB C 18 41.969 41.969 42.254 -0.285 25868 9540 1 19 . 1 1 18 18 LEU H H 18 7.614 7.614 8.081 -0.467 25868 9541 1 19 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.641 -0.232 25868 9542 1 19 . 1 1 19 19 ASN C C 19 174.609 174.609 174.641 -0.032 25868 9543 1 19 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.712 -0.036 25868 9544 1 19 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.682 0.143 25868 9545 1 19 . 1 1 20 20 GLN N N 20 118.736 118.736 121.887 -3.151 25868 9546 1 19 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.519 -0.059 25868 9547 1 19 . 1 1 20 20 GLN C C 20 176.659 176.659 176.773 -0.114 25868 9548 1 19 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.065 -0.377 25868 9549 1 19 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.520 -1.356 25868 9550 1 19 . 1 1 20 20 GLN H H 20 8.340 8.340 7.858 0.482 25868 9551 1 19 . 1 1 21 21 GLY N N 21 111.864 111.864 109.803 2.061 25868 9552 1 19 . 1 1 21 21 GLY CA C 21 47.053 47.053 46.898 0.155 25868 9553 1 19 . 1 1 21 21 GLY H H 21 8.455 8.455 8.312 0.143 25868 9554 1 19 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.209 0.054 25868 9555 1 19 . 1 1 23 23 LEU C C 23 179.620 179.620 176.711 2.909 25868 9556 1 19 . 1 1 23 23 LEU CA C 23 56.394 56.394 54.650 1.744 25868 9557 1 19 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.051 -0.500 25868 9558 1 19 . 1 1 24 24 MET N N 24 120.657 120.657 114.460 6.197 25868 9559 1 19 . 1 1 24 24 MET HA H 24 4.077 4.077 4.410 -0.333 25868 9560 1 19 . 1 1 24 24 MET CB C 24 34.035 34.035 35.684 -1.649 25868 9561 1 19 . 1 1 24 24 MET H H 24 8.219 8.219 6.988 1.231 25868 9562 1 19 . 1 1 25 25 GLY N N 25 106.956 106.956 107.591 -0.635 25868 9563 1 19 . 1 1 25 25 GLY C C 25 175.016 175.016 175.526 -0.510 25868 9564 1 19 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.475 1.296 25868 9565 1 19 . 1 1 25 25 GLY H H 25 8.589 8.589 8.253 0.336 25868 9566 1 19 . 1 1 26 26 ARG N N 26 119.970 119.970 121.832 -1.862 25868 9567 1 19 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.288 -0.072 25868 9568 1 19 . 1 1 26 26 ARG C C 26 177.966 177.966 178.316 -0.350 25868 9569 1 19 . 1 1 26 26 ARG CA C 26 59.727 59.727 60.056 -0.329 25868 9570 1 19 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.320 -0.057 25868 9571 1 19 . 1 1 26 26 ARG H H 26 8.297 8.297 7.659 0.638 25868 9572 1 19 . 1 1 27 27 ALA N N 27 121.499 121.499 123.073 -1.574 25868 9573 1 19 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.133 0.131 25868 9574 1 19 . 1 1 27 27 ALA C C 27 179.878 179.878 179.753 0.125 25868 9575 1 19 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.953 0.747 25868 9576 1 19 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.079 0.244 25868 9577 1 19 . 1 1 27 27 ALA H H 27 7.816 7.816 8.361 -0.545 25868 9578 1 19 . 1 1 28 28 LEU N N 28 117.285 117.285 118.334 -1.049 25868 9579 1 19 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.885 0.142 25868 9580 1 19 . 1 1 28 28 LEU C C 28 178.158 178.158 178.938 -0.780 25868 9581 1 19 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.390 0.704 25868 9582 1 19 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.532 0.722 25868 9583 1 19 . 1 1 28 28 LEU H H 28 8.066 8.066 8.339 -0.273 25868 9584 1 19 . 1 1 29 29 TYR N N 29 119.594 119.594 120.357 -0.763 25868 9585 1 19 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.406 -0.412 25868 9586 1 19 . 1 1 29 29 TYR C C 29 176.382 176.382 177.767 -1.385 25868 9587 1 19 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.661 1.006 25868 9588 1 19 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.658 0.252 25868 9589 1 19 . 1 1 29 29 TYR H H 29 8.568 8.568 8.276 0.292 25868 9590 1 19 . 1 1 30 30 ASN N N 30 116.978 116.978 117.649 -0.671 25868 9591 1 19 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.305 -0.044 25868 9592 1 19 . 1 1 30 30 ASN C C 30 178.521 178.521 177.637 0.884 25868 9593 1 19 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.802 -0.878 25868 9594 1 19 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.542 -2.079 25868 9595 1 19 . 1 1 30 30 ASN H H 30 8.290 8.290 7.945 0.345 25868 9596 1 19 . 1 1 31 31 ILE N N 31 122.107 122.107 119.783 2.324 25868 9597 1 19 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.661 -0.304 25868 9598 1 19 . 1 1 31 31 ILE C C 31 178.007 178.007 177.444 0.563 25868 9599 1 19 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.939 1.258 25868 9600 1 19 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.046 0.640 25868 9601 1 19 . 1 1 31 31 ILE H H 31 8.006 8.006 8.211 -0.205 25868 9602 1 19 . 1 1 32 32 GLY N N 32 107.810 107.810 108.168 -0.358 25868 9603 1 19 . 1 1 32 32 GLY C C 32 175.187 175.187 175.678 -0.491 25868 9604 1 19 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.816 1.704 25868 9605 1 19 . 1 1 32 32 GLY H H 32 7.880 7.880 7.786 0.094 25868 9606 1 19 . 1 1 33 33 LEU N N 33 120.587 120.587 121.976 -1.389 25868 9607 1 19 . 1 1 33 33 LEU HA H 33 4.056 4.056 3.987 0.069 25868 9608 1 19 . 1 1 33 33 LEU C C 33 180.635 180.635 179.341 1.294 25868 9609 1 19 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.797 0.354 25868 9610 1 19 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.615 0.062 25868 9611 1 19 . 1 1 33 33 LEU H H 33 8.117 8.117 7.619 0.498 25868 9612 1 19 . 1 1 34 34 GLU N N 34 120.332 120.332 118.516 1.816 25868 9613 1 19 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.067 -0.094 25868 9614 1 19 . 1 1 34 34 GLU C C 34 179.479 179.479 179.523 -0.044 25868 9615 1 19 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.200 -0.338 25868 9616 1 19 . 1 1 34 34 GLU CB C 34 29.151 29.151 29.016 0.135 25868 9617 1 19 . 1 1 34 34 GLU H H 34 7.763 7.763 8.157 -0.394 25868 9618 1 19 . 1 1 35 35 LYS N N 35 118.642 118.642 118.435 0.207 25868 9619 1 19 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.112 -0.199 25868 9620 1 19 . 1 1 35 35 LYS C C 35 179.149 179.149 178.736 0.413 25868 9621 1 19 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.180 -0.338 25868 9622 1 19 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.033 -1.319 25868 9623 1 19 . 1 1 35 35 LYS H H 35 8.573 8.573 7.917 0.656 25868 9624 1 19 . 1 1 36 36 ASN N N 36 119.047 119.047 117.844 1.203 25868 9625 1 19 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.536 -0.228 25868 9626 1 19 . 1 1 36 36 ASN C C 36 179.782 179.782 177.615 2.167 25868 9627 1 19 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.719 -0.060 25868 9628 1 19 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.405 -0.213 25868 9629 1 19 . 1 1 36 36 ASN H H 36 8.348 8.348 8.063 0.285 25868 9630 1 19 . 1 1 37 37 LYS N N 37 121.477 121.477 119.452 2.025 25868 9631 1 19 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.097 -0.013 25868 9632 1 19 . 1 1 37 37 LYS C C 37 177.938 177.938 178.141 -0.203 25868 9633 1 19 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.379 0.911 25868 9634 1 19 . 1 1 37 37 LYS CB C 37 32.209 32.209 31.982 0.227 25868 9635 1 19 . 1 1 37 37 LYS H H 37 7.956 7.956 8.086 -0.130 25868 9636 1 19 . 1 1 38 38 MET N N 38 114.976 114.976 116.388 -1.412 25868 9637 1 19 . 1 1 38 38 MET HA H 38 4.519 4.519 4.518 0.001 25868 9638 1 19 . 1 1 38 38 MET C C 38 175.847 175.847 176.695 -0.848 25868 9639 1 19 . 1 1 38 38 MET CA C 38 55.264 55.264 55.590 -0.327 25868 9640 1 19 . 1 1 38 38 MET CB C 38 33.388 33.388 32.983 0.405 25868 9641 1 19 . 1 1 38 38 MET H H 38 7.394 7.394 7.593 -0.199 25868 9642 1 19 . 1 1 39 39 GLY N N 39 107.575 107.575 107.497 0.078 25868 9643 1 19 . 1 1 39 39 GLY C C 39 174.994 174.994 174.594 0.400 25868 9644 1 19 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.009 0.742 25868 9645 1 19 . 1 1 39 39 GLY H H 39 7.906 7.906 7.383 0.523 25868 9646 1 19 . 1 1 40 40 LYS N N 40 122.563 122.563 122.800 -0.237 25868 9647 1 19 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.259 0.477 25868 9648 1 19 . 1 1 40 40 LYS C C 40 175.847 175.847 175.566 0.281 25868 9649 1 19 . 1 1 40 40 LYS CA C 40 53.380 53.380 55.572 -2.192 25868 9650 1 19 . 1 1 40 40 LYS CB C 40 30.422 30.422 31.260 -0.838 25868 9651 1 19 . 1 1 40 40 LYS H H 40 7.958 7.958 8.032 -0.074 25868 9652 1 19 . 1 1 41 41 ALA N N 41 123.662 123.662 125.372 -1.710 25868 9653 1 19 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.276 -0.141 25868 9654 1 19 . 1 1 41 41 ALA C C 41 178.736 178.736 178.567 0.169 25868 9655 1 19 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.752 0.977 25868 9656 1 19 . 1 1 41 41 ALA CB C 41 19.966 19.966 19.104 0.862 25868 9657 1 19 . 1 1 41 41 ALA H H 41 7.487 7.487 8.187 -0.700 25868 9658 1 19 . 1 1 42 42 ARG N N 42 118.612 118.612 119.677 -1.065 25868 9659 1 19 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.007 -0.007 25868 9660 1 19 . 1 1 42 42 ARG C C 42 178.901 178.901 178.101 0.800 25868 9661 1 19 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.101 -0.304 25868 9662 1 19 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.732 -0.858 25868 9663 1 19 . 1 1 42 42 ARG H H 42 8.864 8.864 8.707 0.157 25868 9664 1 19 . 1 1 43 43 GLU N N 43 120.194 120.194 119.281 0.913 25868 9665 1 19 . 1 1 43 43 GLU HA H 43 4.123 4.123 3.971 0.152 25868 9666 1 19 . 1 1 43 43 GLU C C 43 178.901 178.901 178.303 0.598 25868 9667 1 19 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.388 0.050 25868 9668 1 19 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.174 0.760 25868 9669 1 19 . 1 1 43 43 GLU H H 43 8.062 8.062 8.447 -0.385 25868 9670 1 19 . 1 1 44 44 ALA N N 44 121.369 121.369 122.919 -1.550 25868 9671 1 19 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.816 -0.243 25868 9672 1 19 . 1 1 44 44 ALA C C 44 177.911 177.911 179.038 -1.127 25868 9673 1 19 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.137 0.625 25868 9674 1 19 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.156 0.392 25868 9675 1 19 . 1 1 44 44 ALA H H 44 8.627 8.627 7.708 0.919 25868 9676 1 19 . 1 1 45 45 ALA N N 45 117.108 117.108 120.064 -2.956 25868 9677 1 19 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.252 -0.167 25868 9678 1 19 . 1 1 45 45 ALA C C 45 178.078 178.078 179.339 -1.261 25868 9679 1 19 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.219 0.357 25868 9680 1 19 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.176 -0.736 25868 9681 1 19 . 1 1 45 45 ALA H H 45 8.310 8.310 8.064 0.246 25868 9682 1 19 . 1 1 46 46 GLU N N 46 115.941 115.941 119.742 -3.801 25868 9683 1 19 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.149 -0.230 25868 9684 1 19 . 1 1 46 46 GLU C C 46 179.341 179.341 179.120 0.221 25868 9685 1 19 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.155 0.602 25868 9686 1 19 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.491 -0.354 25868 9687 1 19 . 1 1 46 46 GLU H H 46 7.451 7.451 7.586 -0.135 25868 9688 1 19 . 1 1 47 47 TYR N N 47 117.925 117.925 119.145 -1.220 25868 9689 1 19 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.214 -0.369 25868 9690 1 19 . 1 1 47 47 TYR C C 47 178.544 178.544 178.548 -0.004 25868 9691 1 19 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.205 3.459 25868 9692 1 19 . 1 1 47 47 TYR CB C 47 37.314 37.314 38.042 -0.728 25868 9693 1 19 . 1 1 47 47 TYR H H 47 7.746 7.746 7.915 -0.169 25868 9694 1 19 . 1 1 48 48 PHE N N 48 118.758 118.758 118.655 0.103 25868 9695 1 19 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.441 0.307 25868 9696 1 19 . 1 1 48 48 PHE C C 48 178.227 178.227 178.159 0.068 25868 9697 1 19 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.243 -0.690 25868 9698 1 19 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.257 -0.108 25868 9699 1 19 . 1 1 48 48 PHE H H 48 9.054 9.054 8.281 0.773 25868 9700 1 19 . 1 1 49 49 PHE N N 49 120.234 120.234 121.501 -1.267 25868 9701 1 19 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.347 0.151 25868 9702 1 19 . 1 1 49 49 PHE C C 49 176.645 176.645 177.153 -0.508 25868 9703 1 19 . 1 1 49 49 PHE CA C 49 61.221 61.221 60.917 0.304 25868 9704 1 19 . 1 1 49 49 PHE CB C 49 40.289 40.289 38.990 1.299 25868 9705 1 19 . 1 1 49 49 PHE H H 49 8.981 8.981 8.381 0.600 25868 9706 1 19 . 1 1 50 50 ARG N N 50 117.925 117.925 118.962 -1.037 25868 9707 1 19 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.722 0.058 25868 9708 1 19 . 1 1 50 50 ARG C C 50 179.369 179.369 178.521 0.848 25868 9709 1 19 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.668 0.161 25868 9710 1 19 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.858 0.665 25868 9711 1 19 . 1 1 50 50 ARG H H 50 8.450 8.450 7.855 0.595 25868 9712 1 19 . 1 1 51 51 ALA N N 51 120.897 120.897 121.217 -0.320 25868 9713 1 19 . 1 1 51 51 ALA HA H 51 3.716 3.716 3.975 -0.259 25868 9714 1 19 . 1 1 51 51 ALA C C 51 177.085 177.085 179.103 -2.018 25868 9715 1 19 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.947 0.151 25868 9716 1 19 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.585 -1.319 25868 9717 1 19 . 1 1 51 51 ALA H H 51 8.697 8.697 8.147 0.550 25868 9718 1 19 . 1 1 52 52 ALA N N 52 120.007 120.007 121.301 -1.294 25868 9719 1 19 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.366 -0.297 25868 9720 1 19 . 1 1 52 52 ALA C C 52 178.067 178.067 179.863 -1.796 25868 9721 1 19 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.031 1.077 25868 9722 1 19 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.672 -1.419 25868 9723 1 19 . 1 1 52 52 ALA H H 52 8.483 8.483 7.887 0.596 25868 9724 1 19 . 1 1 53 53 ILE N N 53 116.864 116.864 119.298 -2.434 25868 9725 1 19 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.054 0.129 25868 9726 1 19 . 1 1 53 53 ILE C C 53 178.323 178.323 177.658 0.665 25868 9727 1 19 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.353 0.412 25868 9728 1 19 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.700 0.776 25868 9729 1 19 . 1 1 53 53 ILE H H 53 8.033 8.033 7.839 0.194 25868 9730 1 19 . 1 1 54 54 VAL N N 54 119.604 119.604 119.772 -0.168 25868 9731 1 19 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.464 0.027 25868 9732 1 19 . 1 1 54 54 VAL C C 54 178.200 178.200 178.233 -0.033 25868 9733 1 19 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.432 -0.056 25868 9734 1 19 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.465 -0.057 25868 9735 1 19 . 1 1 54 54 VAL H H 54 7.126 7.126 7.294 -0.168 25868 9736 1 19 . 1 1 55 55 PHE N N 55 118.386 118.386 119.154 -0.768 25868 9737 1 19 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.144 0.392 25868 9738 1 19 . 1 1 55 55 PHE C C 55 178.571 178.571 177.829 0.742 25868 9739 1 19 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.347 -1.860 25868 9740 1 19 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.955 0.202 25868 9741 1 19 . 1 1 55 55 PHE H H 55 9.061 9.061 8.277 0.784 25868 9742 1 19 . 1 1 56 56 TYR N N 56 119.488 119.488 120.299 -0.811 25868 9743 1 19 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.893 0.458 25868 9744 1 19 . 1 1 56 56 TYR C C 56 178.871 178.871 177.355 1.516 25868 9745 1 19 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.124 -1.630 25868 9746 1 19 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.239 -0.436 25868 9747 1 19 . 1 1 56 56 TYR H H 56 8.975 8.975 8.126 0.849 25868 9748 1 19 . 1 1 57 57 LYS N N 57 121.083 121.083 118.306 2.777 25868 9749 1 19 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.694 -0.231 25868 9750 1 19 . 1 1 57 57 LYS C C 57 178.103 178.103 178.034 0.069 25868 9751 1 19 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.130 0.715 25868 9752 1 19 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.120 -0.395 25868 9753 1 19 . 1 1 57 57 LYS H H 57 7.753 7.753 7.727 0.026 25868 9754 1 19 . 1 1 58 58 GLU N N 58 114.098 114.098 115.255 -1.157 25868 9755 1 19 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.306 -0.149 25868 9756 1 19 . 1 1 58 58 GLU C C 58 175.655 175.655 176.753 -1.098 25868 9757 1 19 . 1 1 58 58 GLU CA C 58 55.134 55.134 55.658 -0.525 25868 9758 1 19 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.217 -0.577 25868 9759 1 19 . 1 1 58 58 GLU H H 58 7.849 7.849 7.760 0.089 25868 9760 1 19 . 1 1 59 59 HIS N N 59 115.781 115.781 114.281 1.500 25868 9761 1 19 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.210 -0.000 25868 9762 1 19 . 1 1 59 59 HIS C C 59 173.784 173.784 173.737 0.047 25868 9763 1 19 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.934 -0.523 25868 9764 1 19 . 1 1 59 59 HIS CB C 59 25.838 25.838 26.971 -1.133 25868 9765 1 19 . 1 1 59 59 HIS H H 59 7.659 7.659 7.578 0.081 25868 9766 1 19 . 1 1 60 60 ASP N N 60 118.780 118.780 120.466 -1.686 25868 9767 1 19 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.742 0.117 25868 9768 1 19 . 1 1 60 60 ASP C C 60 175.847 175.847 176.841 -0.994 25868 9769 1 19 . 1 1 60 60 ASP CA C 60 51.803 51.803 52.968 -1.165 25868 9770 1 19 . 1 1 60 60 ASP CB C 60 40.131 40.131 41.087 -0.956 25868 9771 1 19 . 1 1 60 60 ASP H H 60 8.660 8.660 8.150 0.510 25868 9772 1 19 . 1 1 61 61 THR N N 61 118.884 118.884 119.253 -0.369 25868 9773 1 19 . 1 1 61 61 THR HA H 61 3.763 3.763 4.063 -0.300 25868 9774 1 19 . 1 1 61 61 THR C C 61 175.886 175.886 176.194 -0.308 25868 9775 1 19 . 1 1 61 61 THR CA C 61 66.159 66.159 65.189 0.969 25868 9776 1 19 . 1 1 61 61 THR CB C 61 68.168 68.168 68.847 -0.679 25868 9777 1 19 . 1 1 61 61 THR H H 61 7.955 7.955 8.362 -0.407 25868 9778 1 19 . 1 1 62 62 ASP N N 62 121.668 121.668 121.987 -0.319 25868 9779 1 19 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.319 -0.057 25868 9780 1 19 . 1 1 62 62 ASP C C 62 178.461 178.461 177.969 0.492 25868 9781 1 19 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.405 0.044 25868 9782 1 19 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.642 0.293 25868 9783 1 19 . 1 1 62 62 ASP H H 62 8.298 8.298 7.874 0.424 25868 9784 1 19 . 1 1 63 63 GLY N N 63 109.003 109.003 106.847 2.156 25868 9785 1 19 . 1 1 63 63 GLY C C 63 175.517 175.517 175.614 -0.097 25868 9786 1 19 . 1 1 63 63 GLY CA C 63 46.059 46.059 45.958 0.101 25868 9787 1 19 . 1 1 63 63 GLY H H 63 8.018 8.018 7.824 0.194 25868 9788 1 19 . 1 1 64 64 LEU N N 64 122.504 122.504 122.836 -0.332 25868 9789 1 19 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.190 -0.108 25868 9790 1 19 . 1 1 64 64 LEU C C 64 177.333 177.333 178.102 -0.769 25868 9791 1 19 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.228 1.265 25868 9792 1 19 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.890 0.217 25868 9793 1 19 . 1 1 64 64 LEU H H 64 8.073 8.073 7.579 0.494 25868 9794 1 19 . 1 1 65 65 ARG N N 65 118.626 118.626 118.913 -0.287 25868 9795 1 19 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.862 0.030 25868 9796 1 19 . 1 1 65 65 ARG C C 65 179.045 179.045 178.519 0.526 25868 9797 1 19 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.785 0.070 25868 9798 1 19 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.116 -0.181 25868 9799 1 19 . 1 1 65 65 ARG H H 65 8.491 8.491 7.828 0.663 25868 9800 1 19 . 1 1 66 66 ARG N N 66 119.009 119.009 118.767 0.242 25868 9801 1 19 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.973 -0.006 25868 9802 1 19 . 1 1 66 66 ARG C C 66 178.943 178.943 178.357 0.586 25868 9803 1 19 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.242 -0.029 25868 9804 1 19 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.859 -0.308 25868 9805 1 19 . 1 1 66 66 ARG H H 66 7.601 7.601 7.757 -0.156 25868 9806 1 19 . 1 1 67 67 ALA N N 67 122.174 122.174 121.051 1.123 25868 9807 1 19 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.272 -0.095 25868 9808 1 19 . 1 1 67 67 ALA C C 67 178.654 178.654 179.630 -0.976 25868 9809 1 19 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.725 1.369 25868 9810 1 19 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.229 -0.350 25868 9811 1 19 . 1 1 67 67 ALA H H 67 8.681 8.681 7.932 0.749 25868 9812 1 19 . 1 1 68 68 ALA N N 68 119.208 119.208 121.545 -2.337 25868 9813 1 19 . 1 1 68 68 ALA HA H 68 3.951 3.951 3.998 -0.047 25868 9814 1 19 . 1 1 68 68 ALA C C 68 179.562 179.562 179.491 0.071 25868 9815 1 19 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.205 0.360 25868 9816 1 19 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.408 -0.567 25868 9817 1 19 . 1 1 68 68 ALA H H 68 9.060 9.060 8.115 0.945 25868 9818 1 19 . 1 1 69 69 LYS N N 69 119.434 119.434 118.462 0.972 25868 9819 1 19 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.022 -0.032 25868 9820 1 19 . 1 1 69 69 LYS C C 69 178.929 178.929 179.081 -0.152 25868 9821 1 19 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.264 0.271 25868 9822 1 19 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.393 -0.283 25868 9823 1 19 . 1 1 69 69 LYS H H 69 7.997 7.997 7.631 0.366 25868 9824 1 19 . 1 1 70 70 SER N N 70 116.406 116.406 115.849 0.557 25868 9825 1 19 . 1 1 70 70 SER HA H 70 3.908 3.908 4.298 -0.390 25868 9826 1 19 . 1 1 70 70 SER C C 70 175.957 175.957 176.406 -0.449 25868 9827 1 19 . 1 1 70 70 SER CA C 70 62.776 62.776 61.275 1.501 25868 9828 1 19 . 1 1 70 70 SER CB C 70 60.389 60.389 62.181 -1.792 25868 9829 1 19 . 1 1 70 70 SER H H 70 8.105 8.105 8.246 -0.141 25868 9830 1 19 . 1 1 71 71 LEU N N 71 123.712 123.712 122.890 0.822 25868 9831 1 19 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.318 -0.237 25868 9832 1 19 . 1 1 71 71 LEU C C 71 176.893 176.893 178.106 -1.213 25868 9833 1 19 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.307 0.670 25868 9834 1 19 . 1 1 71 71 LEU CB C 71 42.444 42.444 42.045 0.399 25868 9835 1 19 . 1 1 71 71 LEU H H 71 8.315 8.315 8.031 0.284 25868 9836 1 19 . 1 1 72 72 LYS N N 72 117.431 117.431 117.862 -0.431 25868 9837 1 19 . 1 1 72 72 LYS HA H 72 3.862 3.862 4.008 -0.146 25868 9838 1 19 . 1 1 72 72 LYS C C 72 179.617 179.617 178.601 1.016 25868 9839 1 19 . 1 1 72 72 LYS CA C 72 59.540 59.540 58.970 0.570 25868 9840 1 19 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.732 0.258 25868 9841 1 19 . 1 1 72 72 LYS H H 72 7.785 7.785 7.512 0.273 25868 9842 1 19 . 1 1 73 73 GLU N N 73 117.402 117.402 120.007 -2.605 25868 9843 1 19 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.176 -0.157 25868 9844 1 19 . 1 1 73 73 GLU C C 73 178.475 178.475 178.896 -0.421 25868 9845 1 19 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.564 0.081 25868 9846 1 19 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.164 0.245 25868 9847 1 19 . 1 1 73 73 GLU H H 73 7.920 7.920 8.179 -0.259 25868 9848 1 19 . 1 1 74 74 ALA N N 74 122.211 122.211 121.913 0.298 25868 9849 1 19 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.242 0.077 25868 9850 1 19 . 1 1 74 74 ALA C C 74 178.839 178.839 179.154 -0.315 25868 9851 1 19 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.635 -0.257 25868 9852 1 19 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.872 -1.341 25868 9853 1 19 . 1 1 74 74 ALA H H 74 8.010 8.010 7.614 0.396 25868 9854 1 19 . 1 1 75 75 ILE N N 75 113.486 113.486 117.893 -4.407 25868 9855 1 19 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.767 -0.352 25868 9856 1 19 . 1 1 75 75 ILE C C 75 177.333 177.333 178.514 -1.181 25868 9857 1 19 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.702 1.112 25868 9858 1 19 . 1 1 75 75 ILE CB C 75 38.197 38.197 38.098 0.099 25868 9859 1 19 . 1 1 75 75 ILE H H 75 7.405 7.405 7.540 -0.135 25868 9860 1 19 . 1 1 76 76 THR N N 76 105.977 105.977 112.434 -6.457 25868 9861 1 19 . 1 1 76 76 THR HA H 76 3.963 3.963 4.127 -0.164 25868 9862 1 19 . 1 1 76 76 THR C C 76 174.609 174.609 175.439 -0.830 25868 9863 1 19 . 1 1 76 76 THR CA C 76 63.773 63.773 64.389 -0.616 25868 9864 1 19 . 1 1 76 76 THR CB C 76 68.757 68.757 69.129 -0.372 25868 9865 1 19 . 1 1 76 76 THR H H 76 7.217 7.217 7.957 -0.740 25868 9866 1 19 . 1 1 77 77 ALA N N 77 122.534 122.534 123.212 -0.678 25868 9867 1 19 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.485 -0.068 25868 9868 1 19 . 1 1 77 77 ALA C C 77 177.085 177.085 177.874 -0.789 25868 9869 1 19 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.914 -0.286 25868 9870 1 19 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.509 0.272 25868 9871 1 19 . 1 1 77 77 ALA H H 77 7.486 7.486 7.350 0.136 25868 9872 1 19 . 1 1 78 78 ILE N N 78 123.223 123.223 122.373 0.850 25868 9873 1 19 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.124 0.088 25868 9874 1 19 . 1 1 78 78 ILE C C 78 174.939 174.939 175.203 -0.264 25868 9875 1 19 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.840 -0.042 25868 9876 1 19 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.554 2.062 25868 9877 1 19 . 1 1 78 78 ILE H H 78 7.428 7.428 7.203 0.225 25868 9878 1 19 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.509 -0.071 25868 9879 1 19 . 1 1 79 79 PRO CA C 79 64.085 64.085 62.198 1.887 25868 9880 1 19 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.295 0.014 25868 9881 1 19 . 1 1 83 83 GLY N N 83 105.726 105.726 111.019 -5.293 25868 9882 1 19 . 1 1 83 83 GLY C C 83 175.765 175.765 174.753 1.012 25868 9883 1 19 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.245 1.246 25868 9884 1 19 . 1 1 83 83 GLY H H 83 7.613 7.613 8.464 -0.851 25868 9885 1 19 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.833 0.051 25868 9886 1 19 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.426 1.895 25868 9887 1 19 . 1 1 84 84 ARG CB C 84 30.827 30.827 28.947 1.880 25868 9888 1 19 . 1 1 86 86 GLU HA H 86 3.984 3.984 3.874 0.110 25868 9889 1 19 . 1 1 86 86 GLU C C 86 179.163 179.163 177.281 1.882 25868 9890 1 19 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.843 0.353 25868 9891 1 19 . 1 1 86 86 GLU CB C 86 28.928 28.928 28.388 0.540 25868 9892 1 19 . 1 1 86 86 GLU H H 86 7.965 7.965 8.714 -0.749 25868 9893 1 19 . 1 1 87 87 ALA N N 87 122.092 122.092 122.716 -0.624 25868 9894 1 19 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.081 0.118 25868 9895 1 19 . 1 1 87 87 ALA C C 87 178.980 178.980 179.321 -0.341 25868 9896 1 19 . 1 1 87 87 ALA CA C 87 54.669 54.669 53.954 0.715 25868 9897 1 19 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.748 -0.335 25868 9898 1 19 . 1 1 87 87 ALA H H 87 8.108 8.108 8.059 0.049 25868 9899 1 19 . 1 1 88 88 LYS N N 88 118.808 118.808 118.329 0.479 25868 9900 1 19 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.979 -0.086 25868 9901 1 19 . 1 1 88 88 LYS C C 88 179.341 179.341 177.684 1.657 25868 9902 1 19 . 1 1 88 88 LYS CA C 88 60.003 60.003 58.919 1.084 25868 9903 1 19 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.201 0.025 25868 9904 1 19 . 1 1 88 88 LYS H H 88 8.501 8.501 7.740 0.761 25868 9905 1 19 . 1 1 89 89 GLU N N 89 119.454 119.454 117.531 1.923 25868 9906 1 19 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.991 0.004 25868 9907 1 19 . 1 1 89 89 GLU C C 89 179.017 179.017 178.645 0.372 25868 9908 1 19 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.511 0.431 25868 9909 1 19 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.846 -0.014 25868 9910 1 19 . 1 1 89 89 GLU H H 89 7.544 7.544 7.774 -0.230 25868 9911 1 19 . 1 1 90 90 MET N N 90 119.262 119.262 117.319 1.943 25868 9912 1 19 . 1 1 90 90 MET HA H 90 3.284 3.284 3.661 -0.377 25868 9913 1 19 . 1 1 90 90 MET C C 90 177.003 177.003 177.664 -0.661 25868 9914 1 19 . 1 1 90 90 MET CA C 90 59.168 59.168 57.686 1.482 25868 9915 1 19 . 1 1 90 90 MET CB C 90 33.468 33.468 31.709 1.759 25868 9916 1 19 . 1 1 90 90 MET H H 90 7.600 7.600 7.354 0.246 25868 9917 1 19 . 1 1 91 91 ALA N N 91 120.041 120.041 122.240 -2.199 25868 9918 1 19 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.870 -0.002 25868 9919 1 19 . 1 1 91 91 ALA C C 91 179.039 179.039 179.046 -0.007 25868 9920 1 19 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.671 -0.641 25868 9921 1 19 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.009 0.074 25868 9922 1 19 . 1 1 91 91 ALA H H 91 8.212 8.212 7.521 0.691 25868 9923 1 19 . 1 1 92 92 LYS N N 92 118.442 118.442 117.449 0.993 25868 9924 1 19 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.847 0.075 25868 9925 1 19 . 1 1 92 92 LYS C C 92 178.874 178.874 178.429 0.445 25868 9926 1 19 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.437 -0.316 25868 9927 1 19 . 1 1 92 92 LYS CB C 92 32.243 32.243 31.940 0.303 25868 9928 1 19 . 1 1 92 92 LYS H H 92 7.819 7.819 7.911 -0.092 25868 9929 1 19 . 1 1 93 93 LYS N N 93 119.228 119.228 118.223 1.005 25868 9930 1 19 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.547 0.030 25868 9931 1 19 . 1 1 93 93 LYS C C 93 176.618 176.618 178.193 -1.575 25868 9932 1 19 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.426 -0.300 25868 9933 1 19 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.512 -0.367 25868 9934 1 19 . 1 1 93 93 LYS H H 93 7.449 7.449 7.153 0.296 25868 9935 1 19 . 1 1 94 94 ALA N N 94 117.825 117.825 121.166 -3.341 25868 9936 1 19 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.906 -0.125 25868 9937 1 19 . 1 1 94 94 ALA C C 94 178.736 178.736 179.564 -0.828 25868 9938 1 19 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.121 -0.243 25868 9939 1 19 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.300 -1.057 25868 9940 1 19 . 1 1 94 94 ALA H H 94 7.698 7.698 7.568 0.130 25868 9941 1 19 . 1 1 95 95 GLU N N 95 115.361 115.361 118.386 -3.025 25868 9942 1 19 . 1 1 95 95 GLU HA H 95 3.909 3.909 3.976 -0.067 25868 9943 1 19 . 1 1 95 95 GLU C C 95 178.984 178.984 179.259 -0.275 25868 9944 1 19 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.049 0.331 25868 9945 1 19 . 1 1 95 95 GLU CB C 95 29.476 29.476 28.984 0.492 25868 9946 1 19 . 1 1 95 95 GLU H H 95 7.907 7.907 7.676 0.231 25868 9947 1 19 . 1 1 96 96 GLU N N 96 121.608 121.608 119.509 2.099 25868 9948 1 19 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.004 -0.055 25868 9949 1 19 . 1 1 96 96 GLU C C 96 180.249 180.249 179.313 0.936 25868 9950 1 19 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.113 0.084 25868 9951 1 19 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.082 -0.202 25868 9952 1 19 . 1 1 96 96 GLU H H 96 7.815 7.815 8.113 -0.298 25868 9953 1 19 . 1 1 97 97 TRP N N 97 122.511 122.511 118.913 3.598 25868 9954 1 19 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.032 0.366 25868 9955 1 19 . 1 1 97 97 TRP C C 97 178.007 178.007 178.700 -0.693 25868 9956 1 19 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.374 -0.638 25868 9957 1 19 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.088 -0.110 25868 9958 1 19 . 1 1 97 97 TRP H H 97 8.069 8.069 7.894 0.175 25868 9959 1 19 . 1 1 98 98 LEU N N 98 119.235 119.235 120.727 -1.492 25868 9960 1 19 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.098 -0.015 25868 9961 1 19 . 1 1 98 98 LEU C C 98 178.599 178.599 178.873 -0.274 25868 9962 1 19 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.024 -0.370 25868 9963 1 19 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.719 0.246 25868 9964 1 19 . 1 1 98 98 LEU H H 98 8.077 8.077 7.726 0.351 25868 9965 1 19 . 1 1 99 99 GLN N N 99 117.609 117.609 117.827 -0.218 25868 9966 1 19 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.108 0.008 25868 9967 1 19 . 1 1 99 99 GLN C C 99 177.636 177.636 178.170 -0.534 25868 9968 1 19 . 1 1 99 99 GLN CA C 99 57.720 57.720 57.659 0.061 25868 9969 1 19 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.026 0.220 25868 9970 1 19 . 1 1 99 99 GLN H H 99 8.077 8.077 8.166 -0.089 25868 9971 1 19 . 1 1 100 100 ALA N N 100 122.106 122.106 120.163 1.943 25868 9972 1 19 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.222 0.083 25868 9973 1 19 . 1 1 100 100 ALA C C 100 179.424 179.424 178.901 0.523 25868 9974 1 19 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.378 -0.325 25868 9975 1 19 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.769 -0.216 25868 9976 1 19 . 1 1 100 100 ALA H H 100 7.944 7.944 7.478 0.466 25868 9977 1 19 . 1 1 101 101 GLU N N 101 117.817 117.817 117.669 0.148 25868 9978 1 19 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.449 -0.093 25868 9979 1 19 . 1 1 101 101 GLU C C 101 177.415 177.415 178.004 -0.589 25868 9980 1 19 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.674 -0.661 25868 9981 1 19 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.494 -0.095 25868 9982 1 19 . 1 1 101 101 GLU H H 101 8.162 8.162 7.783 0.379 25868 9983 1 19 . 1 1 102 102 GLN N N 102 118.194 118.194 120.379 -2.185 25868 9984 1 19 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.422 -0.088 25868 9985 1 19 . 1 1 102 102 GLN C C 102 175.755 175.755 174.981 0.774 25868 9986 1 19 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.211 1.116 25868 9987 1 19 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.876 1.418 25868 9988 1 19 . 1 1 102 102 GLN H H 102 8.094 8.094 8.028 0.066 25868 9989 1 19 . 1 1 103 103 ASN N N 103 119.032 119.032 122.490 -3.458 25868 9990 1 19 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.834 -0.044 25868 9991 1 19 . 1 1 103 103 ASN C C 103 173.949 173.949 174.601 -0.652 25868 9992 1 19 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.270 -0.241 25868 9993 1 19 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.440 -0.390 25868 9994 1 19 . 1 1 103 103 ASN H H 103 8.149 8.149 7.967 0.182 25868 9995 1 20 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.666 -0.092 25868 9996 1 20 . 1 1 2 2 ASP C C 2 176.630 176.630 176.425 0.205 25868 9997 1 20 . 1 1 2 2 ASP CA C 2 55.042 55.042 53.482 1.560 25868 9998 1 20 . 1 1 2 2 ASP CB C 2 40.901 40.901 42.606 -1.705 25868 9999 1 20 . 1 1 3 3 GLU N N 3 121.683 121.683 121.980 -0.297 25868 10000 1 20 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.066 0.114 25868 10001 1 20 . 1 1 3 3 GLU CA C 3 57.896 57.896 59.261 -1.365 25868 10002 1 20 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.565 -0.158 25868 10003 1 20 . 1 1 3 3 GLU H H 3 8.889 8.889 8.517 0.372 25868 10004 1 20 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.447 -0.002 25868 10005 1 20 . 1 1 4 4 ASN C C 4 176.095 176.095 177.311 -1.216 25868 10006 1 20 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.496 -0.851 25868 10007 1 20 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.664 0.142 25868 10008 1 20 . 1 1 5 5 ILE N N 5 119.355 119.355 121.106 -1.751 25868 10009 1 20 . 1 1 5 5 ILE HA H 5 3.877 3.877 4.008 -0.131 25868 10010 1 20 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.121 -0.040 25868 10011 1 20 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.575 0.116 25868 10012 1 20 . 1 1 5 5 ILE H H 5 8.018 8.018 7.804 0.214 25868 10013 1 20 . 1 1 6 6 ALA N N 6 123.430 123.430 121.739 1.691 25868 10014 1 20 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.287 -0.038 25868 10015 1 20 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.847 -0.676 25868 10016 1 20 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.273 -0.029 25868 10017 1 20 . 1 1 6 6 ALA H H 6 8.041 8.041 7.989 0.052 25868 10018 1 20 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.947 0.083 25868 10019 1 20 . 1 1 7 7 LYS C C 7 178.778 178.778 178.763 0.015 25868 10020 1 20 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.827 -0.073 25868 10021 1 20 . 1 1 7 7 LYS CB C 7 32.013 32.013 31.585 0.428 25868 10022 1 20 . 1 1 8 8 PHE N N 8 120.439 120.439 117.432 3.007 25868 10023 1 20 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.319 0.355 25868 10024 1 20 . 1 1 8 8 PHE C C 8 177.470 177.470 178.020 -0.550 25868 10025 1 20 . 1 1 8 8 PHE CA C 8 59.155 59.155 60.382 -1.227 25868 10026 1 20 . 1 1 8 8 PHE CB C 8 39.276 39.276 37.993 1.283 25868 10027 1 20 . 1 1 8 8 PHE H H 8 7.908 7.908 7.068 0.840 25868 10028 1 20 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.105 0.024 25868 10029 1 20 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.344 -0.232 25868 10030 1 20 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.445 0.349 25868 10031 1 20 . 1 1 11 11 ALA N N 11 122.712 122.712 122.393 0.319 25868 10032 1 20 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.207 -0.001 25868 10033 1 20 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.902 0.268 25868 10034 1 20 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.140 -0.879 25868 10035 1 20 . 1 1 11 11 ALA H H 11 7.945 7.945 7.748 0.197 25868 10036 1 20 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.430 -0.309 25868 10037 1 20 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.410 0.756 25868 10038 1 20 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.261 0.739 25868 10039 1 20 . 1 1 13 13 LYS N N 13 120.452 120.452 126.913 -6.461 25868 10040 1 20 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.248 -0.208 25868 10041 1 20 . 1 1 13 13 LYS CA C 13 57.813 57.813 57.793 0.020 25868 10042 1 20 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.392 -1.065 25868 10043 1 20 . 1 1 13 13 LYS H H 13 8.017 8.017 8.002 0.015 25868 10044 1 20 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.548 -0.394 25868 10045 1 20 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.328 1.347 25868 10046 1 20 . 1 1 14 14 LYS CB C 14 32.196 32.196 33.453 -1.257 25868 10047 1 20 . 1 1 14 14 LYS H H 14 8.011 8.011 8.001 0.010 25868 10048 1 20 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.728 -0.456 25868 10049 1 20 . 1 1 15 15 ALA C C 15 179.056 179.056 178.359 0.697 25868 10050 1 20 . 1 1 15 15 ALA CA C 15 53.971 53.971 52.600 1.371 25868 10051 1 20 . 1 1 15 15 ALA CB C 15 18.684 18.684 19.173 -0.489 25868 10052 1 20 . 1 1 16 16 GLU N N 16 120.136 120.136 119.087 1.049 25868 10053 1 20 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.095 0.120 25868 10054 1 20 . 1 1 16 16 GLU C C 16 179.176 179.176 177.030 2.146 25868 10055 1 20 . 1 1 16 16 GLU CA C 16 58.499 58.499 58.424 0.075 25868 10056 1 20 . 1 1 16 16 GLU CB C 16 29.915 29.915 28.979 0.936 25868 10057 1 20 . 1 1 16 16 GLU H H 16 8.599 8.599 8.427 0.172 25868 10058 1 20 . 1 1 17 17 GLU N N 17 120.683 120.683 119.161 1.522 25868 10059 1 20 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.237 -0.163 25868 10060 1 20 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.446 1.658 25868 10061 1 20 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.939 -0.221 25868 10062 1 20 . 1 1 17 17 GLU H H 17 8.009 8.009 8.243 -0.234 25868 10063 1 20 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.471 -0.141 25868 10064 1 20 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.023 0.475 25868 10065 1 20 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.403 -1.434 25868 10066 1 20 . 1 1 18 18 LEU H H 18 7.614 7.614 7.750 -0.136 25868 10067 1 20 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.756 -0.347 25868 10068 1 20 . 1 1 19 19 ASN C C 19 174.609 174.609 174.776 -0.167 25868 10069 1 20 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.041 0.635 25868 10070 1 20 . 1 1 19 19 ASN CB C 19 37.825 37.825 36.967 0.858 25868 10071 1 20 . 1 1 20 20 GLN N N 20 118.736 118.736 118.972 -0.236 25868 10072 1 20 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.443 0.017 25868 10073 1 20 . 1 1 20 20 GLN C C 20 176.659 176.659 175.430 1.229 25868 10074 1 20 . 1 1 20 20 GLN CA C 20 54.688 54.688 54.685 0.002 25868 10075 1 20 . 1 1 20 20 GLN CB C 20 28.164 28.164 28.950 -0.786 25868 10076 1 20 . 1 1 20 20 GLN H H 20 8.340 8.340 7.571 0.769 25868 10077 1 20 . 1 1 21 21 GLY N N 21 111.864 111.864 107.217 4.647 25868 10078 1 20 . 1 1 21 21 GLY CA C 21 47.053 47.053 44.703 2.350 25868 10079 1 20 . 1 1 21 21 GLY H H 21 8.455 8.455 7.751 0.704 25868 10080 1 20 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.048 0.215 25868 10081 1 20 . 1 1 23 23 LEU C C 23 179.620 179.620 177.089 2.531 25868 10082 1 20 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.772 -0.377 25868 10083 1 20 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.394 -0.843 25868 10084 1 20 . 1 1 24 24 MET N N 24 120.657 120.657 115.232 5.425 25868 10085 1 20 . 1 1 24 24 MET HA H 24 4.077 4.077 4.294 -0.217 25868 10086 1 20 . 1 1 24 24 MET CB C 24 34.035 34.035 34.590 -0.555 25868 10087 1 20 . 1 1 24 24 MET H H 24 8.219 8.219 7.362 0.857 25868 10088 1 20 . 1 1 25 25 GLY N N 25 106.956 106.956 105.233 1.723 25868 10089 1 20 . 1 1 25 25 GLY C C 25 175.016 175.016 175.753 -0.737 25868 10090 1 20 . 1 1 25 25 GLY CA C 25 47.771 47.771 45.292 2.479 25868 10091 1 20 . 1 1 25 25 GLY H H 25 8.589 8.589 8.154 0.435 25868 10092 1 20 . 1 1 26 26 ARG N N 26 119.970 119.970 123.035 -3.065 25868 10093 1 20 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.393 -0.177 25868 10094 1 20 . 1 1 26 26 ARG C C 26 177.966 177.966 177.482 0.484 25868 10095 1 20 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.707 0.020 25868 10096 1 20 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.057 0.206 25868 10097 1 20 . 1 1 26 26 ARG H H 26 8.297 8.297 7.761 0.536 25868 10098 1 20 . 1 1 27 27 ALA N N 27 121.499 121.499 121.131 0.368 25868 10099 1 20 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.183 0.081 25868 10100 1 20 . 1 1 27 27 ALA C C 27 179.878 179.878 180.175 -0.297 25868 10101 1 20 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.978 0.722 25868 10102 1 20 . 1 1 27 27 ALA CB C 27 18.323 18.323 17.952 0.371 25868 10103 1 20 . 1 1 27 27 ALA H H 27 7.816 7.816 8.505 -0.689 25868 10104 1 20 . 1 1 28 28 LEU N N 28 117.285 117.285 119.000 -1.715 25868 10105 1 20 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.975 0.052 25868 10106 1 20 . 1 1 28 28 LEU C C 28 178.158 178.158 178.863 -0.705 25868 10107 1 20 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.594 0.500 25868 10108 1 20 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.866 0.388 25868 10109 1 20 . 1 1 28 28 LEU H H 28 8.066 8.066 7.782 0.284 25868 10110 1 20 . 1 1 29 29 TYR N N 29 119.594 119.594 120.184 -0.590 25868 10111 1 20 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.379 -0.385 25868 10112 1 20 . 1 1 29 29 TYR C C 29 176.382 176.382 177.798 -1.416 25868 10113 1 20 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.839 0.828 25868 10114 1 20 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.556 0.354 25868 10115 1 20 . 1 1 29 29 TYR H H 29 8.568 8.568 8.007 0.561 25868 10116 1 20 . 1 1 30 30 ASN N N 30 116.978 116.978 117.142 -0.164 25868 10117 1 20 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.108 0.153 25868 10118 1 20 . 1 1 30 30 ASN C C 30 178.521 178.521 177.329 1.192 25868 10119 1 20 . 1 1 30 30 ASN CA C 30 55.924 55.924 55.799 0.125 25868 10120 1 20 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.218 -1.755 25868 10121 1 20 . 1 1 30 30 ASN H H 30 8.290 8.290 7.978 0.312 25868 10122 1 20 . 1 1 31 31 ILE N N 31 122.107 122.107 120.343 1.764 25868 10123 1 20 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.579 -0.222 25868 10124 1 20 . 1 1 31 31 ILE C C 31 178.007 178.007 177.535 0.472 25868 10125 1 20 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.834 1.363 25868 10126 1 20 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.307 0.379 25868 10127 1 20 . 1 1 31 31 ILE H H 31 8.006 8.006 7.851 0.155 25868 10128 1 20 . 1 1 32 32 GLY N N 32 107.810 107.810 107.713 0.097 25868 10129 1 20 . 1 1 32 32 GLY C C 32 175.187 175.187 175.696 -0.509 25868 10130 1 20 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.810 1.710 25868 10131 1 20 . 1 1 32 32 GLY H H 32 7.880 7.880 7.805 0.075 25868 10132 1 20 . 1 1 33 33 LEU N N 33 120.587 120.587 121.030 -0.443 25868 10133 1 20 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.110 -0.054 25868 10134 1 20 . 1 1 33 33 LEU C C 33 180.635 180.635 178.969 1.666 25868 10135 1 20 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.542 0.609 25868 10136 1 20 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.623 0.054 25868 10137 1 20 . 1 1 33 33 LEU H H 33 8.117 8.117 7.909 0.208 25868 10138 1 20 . 1 1 34 34 GLU N N 34 120.332 120.332 117.864 2.468 25868 10139 1 20 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.141 -0.168 25868 10140 1 20 . 1 1 34 34 GLU C C 34 179.479 179.479 179.085 0.394 25868 10141 1 20 . 1 1 34 34 GLU CA C 34 58.862 58.862 58.899 -0.037 25868 10142 1 20 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.766 0.385 25868 10143 1 20 . 1 1 34 34 GLU H H 34 7.763 7.763 7.659 0.104 25868 10144 1 20 . 1 1 35 35 LYS N N 35 118.642 118.642 119.784 -1.142 25868 10145 1 20 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.056 -0.143 25868 10146 1 20 . 1 1 35 35 LYS C C 35 179.149 179.149 178.675 0.474 25868 10147 1 20 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.840 -0.998 25868 10148 1 20 . 1 1 35 35 LYS CB C 35 30.714 30.714 31.982 -1.268 25868 10149 1 20 . 1 1 35 35 LYS H H 35 8.573 8.573 7.882 0.691 25868 10150 1 20 . 1 1 36 36 ASN N N 36 119.047 119.047 117.298 1.749 25868 10151 1 20 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.488 -0.180 25868 10152 1 20 . 1 1 36 36 ASN C C 36 179.782 179.782 177.334 2.448 25868 10153 1 20 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.645 0.014 25868 10154 1 20 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.422 -0.230 25868 10155 1 20 . 1 1 36 36 ASN H H 36 8.348 8.348 8.225 0.123 25868 10156 1 20 . 1 1 37 37 LYS N N 37 121.477 121.477 120.088 1.389 25868 10157 1 20 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.138 -0.054 25868 10158 1 20 . 1 1 37 37 LYS C C 37 177.938 177.938 177.968 -0.030 25868 10159 1 20 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.559 0.731 25868 10160 1 20 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.329 -0.120 25868 10161 1 20 . 1 1 37 37 LYS H H 37 7.956 7.956 7.663 0.293 25868 10162 1 20 . 1 1 38 38 MET N N 38 114.976 114.976 115.604 -0.628 25868 10163 1 20 . 1 1 38 38 MET HA H 38 4.519 4.519 4.489 0.030 25868 10164 1 20 . 1 1 38 38 MET C C 38 175.847 175.847 176.074 -0.227 25868 10165 1 20 . 1 1 38 38 MET CA C 38 55.264 55.264 55.581 -0.317 25868 10166 1 20 . 1 1 38 38 MET CB C 38 33.388 33.388 33.168 0.220 25868 10167 1 20 . 1 1 38 38 MET H H 38 7.394 7.394 7.641 -0.247 25868 10168 1 20 . 1 1 39 39 GLY N N 39 107.575 107.575 106.491 1.084 25868 10169 1 20 . 1 1 39 39 GLY C C 39 174.994 174.994 175.325 -0.331 25868 10170 1 20 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.616 0.135 25868 10171 1 20 . 1 1 39 39 GLY H H 39 7.906 7.906 7.423 0.483 25868 10172 1 20 . 1 1 40 40 LYS N N 40 122.563 122.563 122.408 0.155 25868 10173 1 20 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.332 0.404 25868 10174 1 20 . 1 1 40 40 LYS C C 40 175.847 175.847 175.835 0.012 25868 10175 1 20 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.789 -1.409 25868 10176 1 20 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.687 -0.265 25868 10177 1 20 . 1 1 40 40 LYS H H 40 7.958 7.958 8.271 -0.313 25868 10178 1 20 . 1 1 41 41 ALA N N 41 123.662 123.662 123.501 0.161 25868 10179 1 20 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.074 0.061 25868 10180 1 20 . 1 1 41 41 ALA C C 41 178.736 178.736 178.781 -0.045 25868 10181 1 20 . 1 1 41 41 ALA CA C 41 55.729 55.729 55.117 0.612 25868 10182 1 20 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.855 1.111 25868 10183 1 20 . 1 1 41 41 ALA H H 41 7.487 7.487 7.935 -0.448 25868 10184 1 20 . 1 1 42 42 ARG N N 42 118.612 118.612 118.792 -0.180 25868 10185 1 20 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.003 -0.003 25868 10186 1 20 . 1 1 42 42 ARG C C 42 178.901 178.901 178.471 0.430 25868 10187 1 20 . 1 1 42 42 ARG CA C 42 58.797 58.797 58.873 -0.076 25868 10188 1 20 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.516 -0.642 25868 10189 1 20 . 1 1 42 42 ARG H H 42 8.864 8.864 8.601 0.263 25868 10190 1 20 . 1 1 43 43 GLU N N 43 120.194 120.194 119.034 1.160 25868 10191 1 20 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.045 0.078 25868 10192 1 20 . 1 1 43 43 GLU C C 43 178.901 178.901 178.435 0.466 25868 10193 1 20 . 1 1 43 43 GLU CA C 43 59.438 59.438 57.965 1.473 25868 10194 1 20 . 1 1 43 43 GLU CB C 43 29.934 29.934 28.972 0.962 25868 10195 1 20 . 1 1 43 43 GLU H H 43 8.062 8.062 7.734 0.328 25868 10196 1 20 . 1 1 44 44 ALA N N 44 121.369 121.369 123.764 -2.395 25868 10197 1 20 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.762 -0.189 25868 10198 1 20 . 1 1 44 44 ALA C C 44 177.911 177.911 178.888 -0.977 25868 10199 1 20 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.195 0.567 25868 10200 1 20 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.127 0.421 25868 10201 1 20 . 1 1 44 44 ALA H H 44 8.627 8.627 8.013 0.614 25868 10202 1 20 . 1 1 45 45 ALA N N 45 117.108 117.108 119.700 -2.592 25868 10203 1 20 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.206 -0.121 25868 10204 1 20 . 1 1 45 45 ALA C C 45 178.078 178.078 179.308 -1.230 25868 10205 1 20 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.193 0.383 25868 10206 1 20 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.192 -0.752 25868 10207 1 20 . 1 1 45 45 ALA H H 45 8.310 8.310 8.000 0.310 25868 10208 1 20 . 1 1 46 46 GLU N N 46 115.941 115.941 119.756 -3.815 25868 10209 1 20 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.199 -0.280 25868 10210 1 20 . 1 1 46 46 GLU C C 46 179.341 179.341 179.094 0.247 25868 10211 1 20 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.022 0.736 25868 10212 1 20 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.356 -0.219 25868 10213 1 20 . 1 1 46 46 GLU H H 46 7.451 7.451 7.701 -0.250 25868 10214 1 20 . 1 1 47 47 TYR N N 47 117.925 117.925 119.483 -1.558 25868 10215 1 20 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.210 -0.365 25868 10216 1 20 . 1 1 47 47 TYR C C 47 178.544 178.544 178.703 -0.159 25868 10217 1 20 . 1 1 47 47 TYR CA C 47 64.664 64.664 61.395 3.269 25868 10218 1 20 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.994 -0.680 25868 10219 1 20 . 1 1 47 47 TYR H H 47 7.746 7.746 7.859 -0.113 25868 10220 1 20 . 1 1 48 48 PHE N N 48 118.758 118.758 118.288 0.470 25868 10221 1 20 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.462 0.286 25868 10222 1 20 . 1 1 48 48 PHE C C 48 178.227 178.227 178.183 0.044 25868 10223 1 20 . 1 1 48 48 PHE CA C 48 59.553 59.553 59.962 -0.409 25868 10224 1 20 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.218 -0.069 25868 10225 1 20 . 1 1 48 48 PHE H H 48 9.054 9.054 8.187 0.867 25868 10226 1 20 . 1 1 49 49 PHE N N 49 120.234 120.234 121.932 -1.698 25868 10227 1 20 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.363 0.135 25868 10228 1 20 . 1 1 49 49 PHE C C 49 176.645 176.645 177.344 -0.699 25868 10229 1 20 . 1 1 49 49 PHE CA C 49 61.221 61.221 60.855 0.366 25868 10230 1 20 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.137 1.152 25868 10231 1 20 . 1 1 49 49 PHE H H 49 8.981 8.981 8.298 0.683 25868 10232 1 20 . 1 1 50 50 ARG N N 50 117.925 117.925 118.528 -0.603 25868 10233 1 20 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.787 -0.007 25868 10234 1 20 . 1 1 50 50 ARG C C 50 179.369 179.369 178.590 0.779 25868 10235 1 20 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.325 0.504 25868 10236 1 20 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.991 0.532 25868 10237 1 20 . 1 1 50 50 ARG H H 50 8.450 8.450 8.240 0.210 25868 10238 1 20 . 1 1 51 51 ALA N N 51 120.897 120.897 122.286 -1.389 25868 10239 1 20 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.146 -0.430 25868 10240 1 20 . 1 1 51 51 ALA C C 51 177.085 177.085 179.258 -2.173 25868 10241 1 20 . 1 1 51 51 ALA CA C 51 55.098 55.098 55.148 -0.050 25868 10242 1 20 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.574 -1.308 25868 10243 1 20 . 1 1 51 51 ALA H H 51 8.697 8.697 8.218 0.479 25868 10244 1 20 . 1 1 52 52 ALA N N 52 120.007 120.007 121.122 -1.115 25868 10245 1 20 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.281 -0.212 25868 10246 1 20 . 1 1 52 52 ALA C C 52 178.067 178.067 179.814 -1.747 25868 10247 1 20 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.152 0.956 25868 10248 1 20 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.712 -1.459 25868 10249 1 20 . 1 1 52 52 ALA H H 52 8.483 8.483 7.970 0.513 25868 10250 1 20 . 1 1 53 53 ILE N N 53 116.864 116.864 119.134 -2.270 25868 10251 1 20 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.121 0.062 25868 10252 1 20 . 1 1 53 53 ILE C C 53 178.323 178.323 177.649 0.674 25868 10253 1 20 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.347 0.417 25868 10254 1 20 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.672 0.804 25868 10255 1 20 . 1 1 53 53 ILE H H 53 8.033 8.033 7.832 0.201 25868 10256 1 20 . 1 1 54 54 VAL N N 54 119.604 119.604 119.850 -0.246 25868 10257 1 20 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.454 0.037 25868 10258 1 20 . 1 1 54 54 VAL C C 54 178.200 178.200 178.257 -0.057 25868 10259 1 20 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.377 -0.001 25868 10260 1 20 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.399 0.009 25868 10261 1 20 . 1 1 54 54 VAL H H 54 7.126 7.126 7.364 -0.238 25868 10262 1 20 . 1 1 55 55 PHE N N 55 118.386 118.386 117.869 0.517 25868 10263 1 20 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.137 0.399 25868 10264 1 20 . 1 1 55 55 PHE C C 55 178.571 178.571 177.605 0.966 25868 10265 1 20 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.463 -1.976 25868 10266 1 20 . 1 1 55 55 PHE CB C 55 38.157 38.157 38.026 0.131 25868 10267 1 20 . 1 1 55 55 PHE H H 55 9.061 9.061 8.064 0.997 25868 10268 1 20 . 1 1 56 56 TYR N N 56 119.488 119.488 120.941 -1.453 25868 10269 1 20 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.936 0.415 25868 10270 1 20 . 1 1 56 56 TYR C C 56 178.871 178.871 176.981 1.890 25868 10271 1 20 . 1 1 56 56 TYR CA C 56 59.494 59.494 60.908 -1.414 25868 10272 1 20 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.022 -0.219 25868 10273 1 20 . 1 1 56 56 TYR H H 56 8.975 8.975 8.001 0.974 25868 10274 1 20 . 1 1 57 57 LYS N N 57 121.083 121.083 117.418 3.665 25868 10275 1 20 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.621 -0.158 25868 10276 1 20 . 1 1 57 57 LYS C C 57 178.103 178.103 177.991 0.112 25868 10277 1 20 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.236 0.609 25868 10278 1 20 . 1 1 57 57 LYS CB C 57 31.725 31.725 31.926 -0.201 25868 10279 1 20 . 1 1 57 57 LYS H H 57 7.753 7.753 7.769 -0.016 25868 10280 1 20 . 1 1 58 58 GLU N N 58 114.098 114.098 115.055 -0.957 25868 10281 1 20 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.284 -0.127 25868 10282 1 20 . 1 1 58 58 GLU C C 58 175.655 175.655 176.271 -0.616 25868 10283 1 20 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.044 -0.910 25868 10284 1 20 . 1 1 58 58 GLU CB C 58 29.640 29.640 30.189 -0.549 25868 10285 1 20 . 1 1 58 58 GLU H H 58 7.849 7.849 7.645 0.204 25868 10286 1 20 . 1 1 59 59 HIS N N 59 115.781 115.781 113.653 2.128 25868 10287 1 20 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.349 -0.139 25868 10288 1 20 . 1 1 59 59 HIS C C 59 173.784 173.784 174.308 -0.524 25868 10289 1 20 . 1 1 59 59 HIS CA C 59 56.411 56.411 57.019 -0.608 25868 10290 1 20 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.082 -1.244 25868 10291 1 20 . 1 1 59 59 HIS H H 59 7.659 7.659 7.116 0.543 25868 10292 1 20 . 1 1 60 60 ASP N N 60 118.780 118.780 120.126 -1.346 25868 10293 1 20 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.749 0.110 25868 10294 1 20 . 1 1 60 60 ASP C C 60 175.847 175.847 176.734 -0.887 25868 10295 1 20 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.212 -1.409 25868 10296 1 20 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.946 -0.815 25868 10297 1 20 . 1 1 60 60 ASP H H 60 8.660 8.660 8.225 0.435 25868 10298 1 20 . 1 1 61 61 THR N N 61 118.884 118.884 119.297 -0.413 25868 10299 1 20 . 1 1 61 61 THR HA H 61 3.763 3.763 4.073 -0.310 25868 10300 1 20 . 1 1 61 61 THR C C 61 175.886 175.886 176.311 -0.425 25868 10301 1 20 . 1 1 61 61 THR CA C 61 66.159 66.159 65.435 0.724 25868 10302 1 20 . 1 1 61 61 THR CB C 61 68.168 68.168 68.808 -0.640 25868 10303 1 20 . 1 1 61 61 THR H H 61 7.955 7.955 8.238 -0.283 25868 10304 1 20 . 1 1 62 62 ASP N N 62 121.668 121.668 122.479 -0.811 25868 10305 1 20 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.266 -0.004 25868 10306 1 20 . 1 1 62 62 ASP C C 62 178.461 178.461 178.028 0.433 25868 10307 1 20 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.622 -0.173 25868 10308 1 20 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.360 0.575 25868 10309 1 20 . 1 1 62 62 ASP H H 62 8.298 8.298 8.302 -0.004 25868 10310 1 20 . 1 1 63 63 GLY N N 63 109.003 109.003 107.354 1.649 25868 10311 1 20 . 1 1 63 63 GLY C C 63 175.517 175.517 175.846 -0.329 25868 10312 1 20 . 1 1 63 63 GLY CA C 63 46.059 46.059 45.758 0.301 25868 10313 1 20 . 1 1 63 63 GLY H H 63 8.018 8.018 8.055 -0.037 25868 10314 1 20 . 1 1 64 64 LEU N N 64 122.504 122.504 122.963 -0.459 25868 10315 1 20 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.195 -0.113 25868 10316 1 20 . 1 1 64 64 LEU C C 64 177.333 177.333 178.316 -0.983 25868 10317 1 20 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.699 0.794 25868 10318 1 20 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.920 0.187 25868 10319 1 20 . 1 1 64 64 LEU H H 64 8.073 8.073 7.890 0.183 25868 10320 1 20 . 1 1 65 65 ARG N N 65 118.626 118.626 118.531 0.095 25868 10321 1 20 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.908 -0.016 25868 10322 1 20 . 1 1 65 65 ARG C C 65 179.045 179.045 178.432 0.613 25868 10323 1 20 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.774 0.081 25868 10324 1 20 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.037 -0.102 25868 10325 1 20 . 1 1 65 65 ARG H H 65 8.491 8.491 7.623 0.868 25868 10326 1 20 . 1 1 66 66 ARG N N 66 119.009 119.009 119.180 -0.171 25868 10327 1 20 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.976 -0.009 25868 10328 1 20 . 1 1 66 66 ARG C C 66 178.943 178.943 178.130 0.813 25868 10329 1 20 . 1 1 66 66 ARG CA C 66 59.213 59.213 59.098 0.115 25868 10330 1 20 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.902 -0.351 25868 10331 1 20 . 1 1 66 66 ARG H H 66 7.601 7.601 7.808 -0.207 25868 10332 1 20 . 1 1 67 67 ALA N N 67 122.174 122.174 121.008 1.166 25868 10333 1 20 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.271 -0.094 25868 10334 1 20 . 1 1 67 67 ALA C C 67 178.654 178.654 179.466 -0.812 25868 10335 1 20 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.762 1.332 25868 10336 1 20 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.253 -0.374 25868 10337 1 20 . 1 1 67 67 ALA H H 67 8.681 8.681 7.997 0.684 25868 10338 1 20 . 1 1 68 68 ALA N N 68 119.208 119.208 121.636 -2.428 25868 10339 1 20 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.002 -0.051 25868 10340 1 20 . 1 1 68 68 ALA C C 68 179.562 179.562 179.469 0.093 25868 10341 1 20 . 1 1 68 68 ALA CA C 68 55.565 55.565 54.986 0.579 25868 10342 1 20 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.350 -0.509 25868 10343 1 20 . 1 1 68 68 ALA H H 68 9.060 9.060 7.831 1.229 25868 10344 1 20 . 1 1 69 69 LYS N N 69 119.434 119.434 118.580 0.854 25868 10345 1 20 . 1 1 69 69 LYS HA H 69 3.990 3.990 3.929 0.061 25868 10346 1 20 . 1 1 69 69 LYS C C 69 178.929 178.929 179.124 -0.195 25868 10347 1 20 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.598 -0.063 25868 10348 1 20 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.226 -0.116 25868 10349 1 20 . 1 1 69 69 LYS H H 69 7.997 7.997 8.251 -0.254 25868 10350 1 20 . 1 1 70 70 SER N N 70 116.406 116.406 114.921 1.485 25868 10351 1 20 . 1 1 70 70 SER HA H 70 3.908 3.908 4.386 -0.478 25868 10352 1 20 . 1 1 70 70 SER C C 70 175.957 175.957 176.380 -0.423 25868 10353 1 20 . 1 1 70 70 SER CA C 70 62.776 62.776 60.459 2.317 25868 10354 1 20 . 1 1 70 70 SER CB C 70 60.389 60.389 62.346 -1.957 25868 10355 1 20 . 1 1 70 70 SER H H 70 8.105 8.105 7.744 0.361 25868 10356 1 20 . 1 1 71 71 LEU N N 71 123.712 123.712 122.978 0.734 25868 10357 1 20 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.283 -0.202 25868 10358 1 20 . 1 1 71 71 LEU C C 71 176.893 176.893 178.185 -1.292 25868 10359 1 20 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.418 0.559 25868 10360 1 20 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.987 0.457 25868 10361 1 20 . 1 1 71 71 LEU H H 71 8.315 8.315 7.866 0.449 25868 10362 1 20 . 1 1 72 72 LYS N N 72 117.431 117.431 117.620 -0.189 25868 10363 1 20 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.955 -0.093 25868 10364 1 20 . 1 1 72 72 LYS C C 72 179.617 179.617 178.795 0.822 25868 10365 1 20 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.518 0.022 25868 10366 1 20 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.823 0.167 25868 10367 1 20 . 1 1 72 72 LYS H H 72 7.785 7.785 7.755 0.030 25868 10368 1 20 . 1 1 73 73 GLU N N 73 117.402 117.402 120.429 -3.027 25868 10369 1 20 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.148 -0.129 25868 10370 1 20 . 1 1 73 73 GLU C C 73 178.475 178.475 178.581 -0.106 25868 10371 1 20 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.715 -0.070 25868 10372 1 20 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.525 -0.116 25868 10373 1 20 . 1 1 73 73 GLU H H 73 7.920 7.920 7.663 0.257 25868 10374 1 20 . 1 1 74 74 ALA N N 74 122.211 122.211 121.871 0.340 25868 10375 1 20 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.381 -0.062 25868 10376 1 20 . 1 1 74 74 ALA C C 74 178.839 178.839 179.562 -0.723 25868 10377 1 20 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.804 -0.427 25868 10378 1 20 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.913 -1.383 25868 10379 1 20 . 1 1 74 74 ALA H H 74 8.010 8.010 7.766 0.244 25868 10380 1 20 . 1 1 75 75 ILE N N 75 113.486 113.486 118.184 -4.698 25868 10381 1 20 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.648 -0.233 25868 10382 1 20 . 1 1 75 75 ILE C C 75 177.333 177.333 177.781 -0.448 25868 10383 1 20 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.927 0.887 25868 10384 1 20 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.929 0.268 25868 10385 1 20 . 1 1 75 75 ILE H H 75 7.405 7.405 8.073 -0.668 25868 10386 1 20 . 1 1 76 76 THR N N 76 105.977 105.977 112.823 -6.846 25868 10387 1 20 . 1 1 76 76 THR HA H 76 3.963 3.963 4.033 -0.070 25868 10388 1 20 . 1 1 76 76 THR C C 76 174.609 174.609 176.135 -1.526 25868 10389 1 20 . 1 1 76 76 THR CA C 76 63.773 63.773 65.634 -1.861 25868 10390 1 20 . 1 1 76 76 THR CB C 76 68.757 68.757 68.356 0.401 25868 10391 1 20 . 1 1 76 76 THR H H 76 7.217 7.217 7.851 -0.634 25868 10392 1 20 . 1 1 77 77 ALA N N 77 122.534 122.534 123.927 -1.393 25868 10393 1 20 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.423 -0.006 25868 10394 1 20 . 1 1 77 77 ALA C C 77 177.085 177.085 177.913 -0.828 25868 10395 1 20 . 1 1 77 77 ALA CA C 77 51.628 51.628 52.346 -0.718 25868 10396 1 20 . 1 1 77 77 ALA CB C 77 19.781 19.781 18.946 0.835 25868 10397 1 20 . 1 1 77 77 ALA H H 77 7.486 7.486 7.169 0.317 25868 10398 1 20 . 1 1 78 78 ILE N N 78 123.223 123.223 122.762 0.461 25868 10399 1 20 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.104 0.108 25868 10400 1 20 . 1 1 78 78 ILE C C 78 174.939 174.939 173.893 1.046 25868 10401 1 20 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.725 0.073 25868 10402 1 20 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.787 1.829 25868 10403 1 20 . 1 1 78 78 ILE H H 78 7.428 7.428 7.340 0.088 25868 10404 1 20 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.334 0.104 25868 10405 1 20 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.404 0.681 25868 10406 1 20 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.046 0.263 25868 10407 1 20 . 1 1 83 83 GLY N N 83 105.726 105.726 105.460 0.266 25868 10408 1 20 . 1 1 83 83 GLY C C 83 175.765 175.765 173.682 2.083 25868 10409 1 20 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.737 0.754 25868 10410 1 20 . 1 1 83 83 GLY H H 83 7.613 7.613 7.657 -0.044 25868 10411 1 20 . 1 1 84 84 ARG HA H 84 3.884 3.884 3.802 0.082 25868 10412 1 20 . 1 1 84 84 ARG CA C 84 60.321 60.321 58.336 1.985 25868 10413 1 20 . 1 1 84 84 ARG CB C 84 30.827 30.827 28.644 2.183 25868 10414 1 20 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.060 -0.076 25868 10415 1 20 . 1 1 86 86 GLU C C 86 179.163 179.163 177.886 1.277 25868 10416 1 20 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.844 0.352 25868 10417 1 20 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.179 -0.251 25868 10418 1 20 . 1 1 86 86 GLU H H 86 7.965 7.965 7.908 0.057 25868 10419 1 20 . 1 1 87 87 ALA N N 87 122.092 122.092 120.924 1.168 25868 10420 1 20 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.117 0.082 25868 10421 1 20 . 1 1 87 87 ALA C C 87 178.980 178.980 178.963 0.017 25868 10422 1 20 . 1 1 87 87 ALA CA C 87 54.669 54.669 53.771 0.898 25868 10423 1 20 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.230 0.183 25868 10424 1 20 . 1 1 87 87 ALA H H 87 8.108 8.108 7.996 0.112 25868 10425 1 20 . 1 1 88 88 LYS N N 88 118.808 118.808 118.723 0.085 25868 10426 1 20 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.981 -0.088 25868 10427 1 20 . 1 1 88 88 LYS C C 88 179.341 179.341 178.410 0.931 25868 10428 1 20 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.444 0.559 25868 10429 1 20 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.324 -0.098 25868 10430 1 20 . 1 1 88 88 LYS H H 88 8.501 8.501 7.732 0.769 25868 10431 1 20 . 1 1 89 89 GLU N N 89 119.454 119.454 117.982 1.472 25868 10432 1 20 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.950 0.045 25868 10433 1 20 . 1 1 89 89 GLU C C 89 179.017 179.017 178.652 0.365 25868 10434 1 20 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.903 0.041 25868 10435 1 20 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.839 -0.007 25868 10436 1 20 . 1 1 89 89 GLU H H 89 7.544 7.544 7.894 -0.350 25868 10437 1 20 . 1 1 90 90 MET N N 90 119.262 119.262 117.750 1.512 25868 10438 1 20 . 1 1 90 90 MET HA H 90 3.284 3.284 3.527 -0.243 25868 10439 1 20 . 1 1 90 90 MET C C 90 177.003 177.003 177.870 -0.867 25868 10440 1 20 . 1 1 90 90 MET CA C 90 59.168 59.168 58.575 0.593 25868 10441 1 20 . 1 1 90 90 MET CB C 90 33.468 33.468 31.745 1.723 25868 10442 1 20 . 1 1 90 90 MET H H 90 7.600 7.600 7.341 0.259 25868 10443 1 20 . 1 1 91 91 ALA N N 91 120.041 120.041 122.479 -2.438 25868 10444 1 20 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.997 -0.129 25868 10445 1 20 . 1 1 91 91 ALA C C 91 179.039 179.039 179.356 -0.317 25868 10446 1 20 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.086 -0.056 25868 10447 1 20 . 1 1 91 91 ALA CB C 91 18.084 18.084 17.954 0.130 25868 10448 1 20 . 1 1 91 91 ALA H H 91 8.212 8.212 7.761 0.451 25868 10449 1 20 . 1 1 92 92 LYS N N 92 118.442 118.442 117.737 0.705 25868 10450 1 20 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.863 0.059 25868 10451 1 20 . 1 1 92 92 LYS C C 92 178.874 178.874 178.951 -0.077 25868 10452 1 20 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.401 -0.280 25868 10453 1 20 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.045 0.198 25868 10454 1 20 . 1 1 92 92 LYS H H 92 7.819 7.819 7.430 0.389 25868 10455 1 20 . 1 1 93 93 LYS N N 93 119.228 119.228 119.021 0.207 25868 10456 1 20 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.664 -0.087 25868 10457 1 20 . 1 1 93 93 LYS C C 93 176.618 176.618 178.210 -1.592 25868 10458 1 20 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.544 -0.417 25868 10459 1 20 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.783 -0.638 25868 10460 1 20 . 1 1 93 93 LYS H H 93 7.449 7.449 7.704 -0.255 25868 10461 1 20 . 1 1 94 94 ALA N N 94 117.825 117.825 120.711 -2.886 25868 10462 1 20 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.946 -0.165 25868 10463 1 20 . 1 1 94 94 ALA C C 94 178.736 178.736 179.363 -0.627 25868 10464 1 20 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.219 -0.341 25868 10465 1 20 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.314 -1.071 25868 10466 1 20 . 1 1 94 94 ALA H H 94 7.698 7.698 7.862 -0.164 25868 10467 1 20 . 1 1 95 95 GLU N N 95 115.361 115.361 118.732 -3.371 25868 10468 1 20 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.096 -0.187 25868 10469 1 20 . 1 1 95 95 GLU C C 95 178.984 178.984 178.838 0.146 25868 10470 1 20 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.179 0.201 25868 10471 1 20 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.536 -0.060 25868 10472 1 20 . 1 1 95 95 GLU H H 95 7.907 7.907 7.786 0.121 25868 10473 1 20 . 1 1 96 96 GLU N N 96 121.608 121.608 119.861 1.747 25868 10474 1 20 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.061 -0.112 25868 10475 1 20 . 1 1 96 96 GLU C C 96 180.249 180.249 179.291 0.958 25868 10476 1 20 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.193 0.004 25868 10477 1 20 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.117 -0.237 25868 10478 1 20 . 1 1 96 96 GLU H H 96 7.815 7.815 7.896 -0.081 25868 10479 1 20 . 1 1 97 97 TRP N N 97 122.511 122.511 119.527 2.984 25868 10480 1 20 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.344 0.054 25868 10481 1 20 . 1 1 97 97 TRP C C 97 178.007 178.007 178.734 -0.727 25868 10482 1 20 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.896 -1.160 25868 10483 1 20 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.135 -0.157 25868 10484 1 20 . 1 1 97 97 TRP H H 97 8.069 8.069 7.876 0.193 25868 10485 1 20 . 1 1 98 98 LEU N N 98 119.235 119.235 121.119 -1.884 25868 10486 1 20 . 1 1 98 98 LEU HA H 98 4.083 4.083 3.983 0.100 25868 10487 1 20 . 1 1 98 98 LEU C C 98 178.599 178.599 178.805 -0.206 25868 10488 1 20 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.175 -0.521 25868 10489 1 20 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.700 0.265 25868 10490 1 20 . 1 1 98 98 LEU H H 98 8.077 8.077 7.763 0.314 25868 10491 1 20 . 1 1 99 99 GLN N N 99 117.609 117.609 117.419 0.190 25868 10492 1 20 . 1 1 99 99 GLN HA H 99 4.116 4.116 3.996 0.120 25868 10493 1 20 . 1 1 99 99 GLN C C 99 177.636 177.636 178.893 -1.257 25868 10494 1 20 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.838 -1.118 25868 10495 1 20 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.525 -0.279 25868 10496 1 20 . 1 1 99 99 GLN H H 99 8.077 8.077 7.877 0.200 25868 10497 1 20 . 1 1 100 100 ALA N N 100 122.106 122.106 121.426 0.680 25868 10498 1 20 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.184 0.121 25868 10499 1 20 . 1 1 100 100 ALA C C 100 179.424 179.424 178.849 0.575 25868 10500 1 20 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.712 -0.659 25868 10501 1 20 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.576 -0.023 25868 10502 1 20 . 1 1 100 100 ALA H H 100 7.944 7.944 7.605 0.339 25868 10503 1 20 . 1 1 101 101 GLU N N 101 117.817 117.817 114.925 2.892 25868 10504 1 20 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.493 -0.137 25868 10505 1 20 . 1 1 101 101 GLU C C 101 177.415 177.415 176.554 0.861 25868 10506 1 20 . 1 1 101 101 GLU CA C 101 57.013 57.013 56.242 0.771 25868 10507 1 20 . 1 1 101 101 GLU CB C 101 30.399 30.399 29.972 0.427 25868 10508 1 20 . 1 1 101 101 GLU H H 101 8.162 8.162 7.797 0.365 25868 10509 1 20 . 1 1 102 102 GLN N N 102 118.194 118.194 119.181 -0.987 25868 10510 1 20 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.335 -0.001 25868 10511 1 20 . 1 1 102 102 GLN C C 102 175.755 175.755 176.280 -0.525 25868 10512 1 20 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.307 1.020 25868 10513 1 20 . 1 1 102 102 GLN CB C 102 29.294 29.294 27.912 1.382 25868 10514 1 20 . 1 1 102 102 GLN H H 102 8.094 8.094 7.515 0.579 25868 10515 1 20 . 1 1 103 103 ASN N N 103 119.032 119.032 122.883 -3.851 25868 10516 1 20 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.530 0.260 25868 10517 1 20 . 1 1 103 103 ASN C C 103 173.949 173.949 175.673 -1.724 25868 10518 1 20 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.995 -0.966 25868 10519 1 20 . 1 1 103 103 ASN CB C 103 39.050 39.050 38.709 0.341 25868 10520 1 20 . 1 1 103 103 ASN H H 103 8.149 8.149 8.771 -0.622 25868 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 83 2.213 0.240 2.214 25868 2 1 1 "Average Difference" HA 102 0.291 0.057 0.287 25868 3 1 1 "Average Difference" C 82 0.952 -0.002 0.958 25868 4 1 1 "Average Difference" CA 95 1.121 -0.246 1.100 25868 5 1 1 "Average Difference" CB 90 0.907 0.051 0.911 25868 6 1 1 "Average Difference" HN 86 0.448 -0.184 0.411 25868 7 1 2 "Average Difference" N 83 2.062 0.311 2.050 25868 8 1 2 "Average Difference" HA 102 0.279 0.070 0.271 25868 9 1 2 "Average Difference" C 82 0.900 0.110 0.899 25868 10 1 2 "Average Difference" CA 95 1.025 -0.275 0.993 25868 11 1 2 "Average Difference" CB 90 0.682 0.011 0.686 25868 12 1 2 "Average Difference" HN 86 0.472 -0.222 0.418 25868 13 1 3 "Average Difference" N 83 1.995 0.176 2.000 25868 14 1 3 "Average Difference" HA 102 0.278 0.049 0.275 25868 15 1 3 "Average Difference" C 82 0.858 0.067 0.860 25868 16 1 3 "Average Difference" CA 95 0.911 -0.149 0.903 25868 17 1 3 "Average Difference" CB 90 0.837 0.068 0.839 25868 18 1 3 "Average Difference" HN 86 0.482 -0.172 0.452 25868 19 1 4 "Average Difference" N 83 2.200 0.249 2.199 25868 20 1 4 "Average Difference" HA 102 0.293 0.085 0.282 25868 21 1 4 "Average Difference" C 82 1.110 -0.027 1.116 25868 22 1 4 "Average Difference" CA 95 1.053 -0.242 1.030 25868 23 1 4 "Average Difference" CB 90 0.855 0.128 0.850 25868 24 1 4 "Average Difference" HN 86 0.461 -0.178 0.427 25868 25 1 5 "Average Difference" N 83 2.166 0.321 2.156 25868 26 1 5 "Average Difference" HA 102 0.276 0.078 0.266 25868 27 1 5 "Average Difference" C 82 1.018 -0.034 1.024 25868 28 1 5 "Average Difference" CA 95 1.087 -0.303 1.050 25868 29 1 5 "Average Difference" CB 90 0.882 0.128 0.877 25868 30 1 5 "Average Difference" HN 86 0.458 -0.187 0.420 25868 31 1 6 "Average Difference" N 83 2.021 0.401 1.993 25868 32 1 6 "Average Difference" HA 102 0.306 0.083 0.296 25868 33 1 6 "Average Difference" C 82 0.996 -0.037 1.002 25868 34 1 6 "Average Difference" CA 95 1.085 -0.354 1.031 25868 35 1 6 "Average Difference" CB 90 0.899 0.144 0.892 25868 36 1 6 "Average Difference" HN 86 0.488 -0.216 0.440 25868 37 1 7 "Average Difference" N 83 2.344 0.480 2.308 25868 38 1 7 "Average Difference" HA 102 0.285 0.048 0.282 25868 39 1 7 "Average Difference" C 82 1.016 0.004 1.022 25868 40 1 7 "Average Difference" CA 95 0.982 -0.251 0.955 25868 41 1 7 "Average Difference" CB 90 0.910 0.145 0.904 25868 42 1 7 "Average Difference" HN 86 0.443 -0.150 0.419 25868 43 1 8 "Average Difference" N 83 2.093 0.296 2.084 25868 44 1 8 "Average Difference" HA 102 0.268 0.069 0.260 25868 45 1 8 "Average Difference" C 82 0.882 0.075 0.884 25868 46 1 8 "Average Difference" CA 95 0.948 -0.237 0.923 25868 47 1 8 "Average Difference" CB 90 0.745 0.112 0.741 25868 48 1 8 "Average Difference" HN 86 0.419 -0.183 0.379 25868 49 1 9 "Average Difference" N 83 2.225 0.399 2.202 25868 50 1 9 "Average Difference" HA 102 0.296 0.059 0.292 25868 51 1 9 "Average Difference" C 82 0.968 -0.062 0.972 25868 52 1 9 "Average Difference" CA 95 1.170 -0.295 1.138 25868 53 1 9 "Average Difference" CB 90 0.887 0.101 0.886 25868 54 1 9 "Average Difference" HN 86 0.442 -0.173 0.409 25868 55 1 10 "Average Difference" N 83 2.018 0.287 2.009 25868 56 1 10 "Average Difference" HA 102 0.276 0.071 0.268 25868 57 1 10 "Average Difference" C 82 0.879 0.026 0.884 25868 58 1 10 "Average Difference" CA 95 1.036 -0.203 1.021 25868 59 1 10 "Average Difference" CB 90 0.836 0.059 0.838 25868 60 1 10 "Average Difference" HN 86 0.451 -0.220 0.396 25868 61 1 11 "Average Difference" N 83 2.127 0.225 2.128 25868 62 1 11 "Average Difference" HA 102 0.301 0.079 0.292 25868 63 1 11 "Average Difference" C 82 0.968 -0.052 0.973 25868 64 1 11 "Average Difference" CA 95 1.083 -0.342 1.033 25868 65 1 11 "Average Difference" CB 90 0.878 0.188 0.863 25868 66 1 11 "Average Difference" HN 86 0.442 -0.172 0.410 25868 67 1 12 "Average Difference" N 83 2.228 0.172 2.235 25868 68 1 12 "Average Difference" HA 102 0.288 0.062 0.282 25868 69 1 12 "Average Difference" C 82 1.033 -0.011 1.039 25868 70 1 12 "Average Difference" CA 95 1.125 -0.269 1.098 25868 71 1 12 "Average Difference" CB 90 0.859 0.013 0.864 25868 72 1 12 "Average Difference" HN 86 0.457 -0.184 0.420 25868 73 1 13 "Average Difference" N 83 2.262 0.321 2.253 25868 74 1 13 "Average Difference" HA 102 0.301 0.066 0.295 25868 75 1 13 "Average Difference" C 82 1.013 0.011 1.019 25868 76 1 13 "Average Difference" CA 95 1.088 -0.218 1.072 25868 77 1 13 "Average Difference" CB 90 0.806 0.122 0.801 25868 78 1 13 "Average Difference" HN 86 0.468 -0.189 0.431 25868 79 1 14 "Average Difference" N 83 2.016 0.342 1.999 25868 80 1 14 "Average Difference" HA 102 0.277 0.066 0.270 25868 81 1 14 "Average Difference" C 82 0.866 0.022 0.871 25868 82 1 14 "Average Difference" CA 95 0.944 -0.197 0.928 25868 83 1 14 "Average Difference" CB 90 0.982 0.083 0.984 25868 84 1 14 "Average Difference" HN 86 0.440 -0.180 0.404 25868 85 1 15 "Average Difference" N 83 2.138 0.079 2.149 25868 86 1 15 "Average Difference" HA 102 0.276 0.084 0.264 25868 87 1 15 "Average Difference" C 82 0.981 -0.029 0.987 25868 88 1 15 "Average Difference" CA 95 1.065 -0.191 1.054 25868 89 1 15 "Average Difference" CB 90 0.863 0.080 0.865 25868 90 1 15 "Average Difference" HN 86 0.436 -0.169 0.404 25868 91 1 16 "Average Difference" N 83 2.126 0.239 2.125 25868 92 1 16 "Average Difference" HA 102 0.298 0.089 0.286 25868 93 1 16 "Average Difference" C 82 0.988 0.015 0.994 25868 94 1 16 "Average Difference" CA 95 1.178 -0.307 1.143 25868 95 1 16 "Average Difference" CB 90 0.841 0.148 0.833 25868 96 1 16 "Average Difference" HN 86 0.433 -0.168 0.402 25868 97 1 17 "Average Difference" N 83 2.135 0.272 2.130 25868 98 1 17 "Average Difference" HA 102 0.276 0.081 0.266 25868 99 1 17 "Average Difference" C 82 0.902 0.045 0.906 25868 100 1 17 "Average Difference" CA 95 0.988 -0.216 0.969 25868 101 1 17 "Average Difference" CB 90 0.824 0.110 0.821 25868 102 1 17 "Average Difference" HN 86 0.455 -0.205 0.408 25868 103 1 18 "Average Difference" N 83 2.058 0.070 2.070 25868 104 1 18 "Average Difference" HA 102 0.291 0.042 0.289 25868 105 1 18 "Average Difference" C 82 0.989 0.041 0.995 25868 106 1 18 "Average Difference" CA 95 1.145 -0.202 1.133 25868 107 1 18 "Average Difference" CB 90 0.791 0.083 0.791 25868 108 1 18 "Average Difference" HN 86 0.459 -0.185 0.423 25868 109 1 19 "Average Difference" N 83 2.072 0.314 2.060 25868 110 1 19 "Average Difference" HA 102 0.285 0.041 0.284 25868 111 1 19 "Average Difference" C 82 0.901 0.028 0.906 25868 112 1 19 "Average Difference" CA 95 0.964 -0.269 0.931 25868 113 1 19 "Average Difference" CB 90 0.813 0.105 0.811 25868 114 1 19 "Average Difference" HN 86 0.457 -0.171 0.426 25868 115 1 20 "Average Difference" N 83 2.132 0.201 2.136 25868 116 1 20 "Average Difference" HA 102 0.279 0.080 0.268 25868 117 1 20 "Average Difference" C 82 0.965 0.009 0.971 25868 118 1 20 "Average Difference" CA 95 0.968 -0.232 0.945 25868 119 1 20 "Average Difference" CB 90 0.791 0.060 0.793 25868 120 1 20 "Average Difference" HN 86 0.450 -0.217 0.396 25868 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 25868 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.574 4.574 4.554 0.020 25868 2 1 . 1 1 2 2 ASP C C 2 176.630 176.630 176.374 0.256 25868 3 1 . 1 1 2 2 ASP CA C 2 55.042 55.042 54.520 0.522 25868 4 1 . 1 1 2 2 ASP CB C 2 40.901 40.901 41.289 -0.388 25868 5 1 . 1 1 3 3 GLU N N 3 121.683 121.683 121.287 0.396 25868 6 1 . 1 1 3 3 GLU HA H 3 4.180 4.180 4.026 0.154 25868 7 1 . 1 1 3 3 GLU CA C 3 57.896 57.896 58.691 -0.795 25868 8 1 . 1 1 3 3 GLU CB C 3 29.407 29.407 29.641 -0.234 25868 9 1 . 1 1 3 3 GLU H H 3 8.889 8.889 8.559 0.330 25868 10 1 . 1 1 4 4 ASN HA H 4 4.445 4.445 4.330 0.115 25868 11 1 . 1 1 4 4 ASN C C 4 176.095 176.095 177.280 -1.185 25868 12 1 . 1 1 4 4 ASN CA C 4 54.645 54.645 55.556 -0.911 25868 13 1 . 1 1 4 4 ASN CB C 4 37.806 37.806 37.844 -0.038 25868 14 1 . 1 1 5 5 ILE N N 5 119.355 119.355 120.325 -0.970 25868 15 1 . 1 1 5 5 ILE HA H 5 3.877 3.877 3.815 0.062 25868 16 1 . 1 1 5 5 ILE CA C 5 64.081 64.081 64.734 -0.653 25868 17 1 . 1 1 5 5 ILE CB C 5 37.691 37.691 37.647 0.044 25868 18 1 . 1 1 5 5 ILE H H 5 8.018 8.018 7.803 0.215 25868 19 1 . 1 1 6 6 ALA N N 6 123.430 123.430 121.405 2.025 25868 20 1 . 1 1 6 6 ALA HA H 6 4.249 4.249 4.160 0.089 25868 21 1 . 1 1 6 6 ALA CA C 6 54.171 54.171 54.924 -0.753 25868 22 1 . 1 1 6 6 ALA CB C 6 18.244 18.244 18.147 0.097 25868 23 1 . 1 1 6 6 ALA H H 6 8.041 8.041 7.920 0.121 25868 24 1 . 1 1 7 7 LYS HA H 7 4.030 4.030 3.982 0.048 25868 25 1 . 1 1 7 7 LYS C C 7 178.778 178.778 178.887 -0.109 25868 26 1 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.956 -0.202 25868 27 1 . 1 1 7 7 LYS CB C 7 32.013 32.013 32.049 -0.036 25868 28 1 . 1 1 8 8 PHE N N 8 120.439 120.439 117.490 2.949 25868 29 1 . 1 1 8 8 PHE HA H 8 4.674 4.674 4.338 0.336 25868 30 1 . 1 1 8 8 PHE C C 8 177.470 177.470 178.189 -0.719 25868 31 1 . 1 1 8 8 PHE CA C 8 59.155 59.155 59.980 -0.825 25868 32 1 . 1 1 8 8 PHE CB C 8 39.276 39.276 38.303 0.973 25868 33 1 . 1 1 8 8 PHE H H 8 7.908 7.908 7.432 0.476 25868 34 1 . 1 1 9 9 GLU HA H 9 4.129 4.129 4.137 -0.008 25868 35 1 . 1 1 9 9 GLU CA C 9 59.112 59.112 59.020 0.092 25868 36 1 . 1 1 9 9 GLU CB C 9 29.794 29.794 29.257 0.537 25868 37 1 . 1 1 11 11 ALA N N 11 122.712 122.712 120.503 2.209 25868 38 1 . 1 1 11 11 ALA HA H 11 4.206 4.206 4.264 -0.058 25868 39 1 . 1 1 11 11 ALA CA C 11 54.170 54.170 53.364 0.806 25868 40 1 . 1 1 11 11 ALA CB C 11 18.261 18.261 19.375 -1.114 25868 41 1 . 1 1 11 11 ALA H H 11 7.945 7.945 7.590 0.355 25868 42 1 . 1 1 12 12 TYR HA H 12 4.121 4.121 4.462 -0.341 25868 43 1 . 1 1 12 12 TYR CA C 12 59.166 59.166 58.124 1.042 25868 44 1 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.945 -0.945 25868 45 1 . 1 1 13 13 LYS N N 13 120.452 120.452 124.656 -4.204 25868 46 1 . 1 1 13 13 LYS HA H 13 4.040 4.040 4.353 -0.313 25868 47 1 . 1 1 13 13 LYS CA C 13 57.813 57.813 55.957 1.856 25868 48 1 . 1 1 13 13 LYS CB C 13 32.327 32.327 33.131 -0.804 25868 49 1 . 1 1 13 13 LYS H H 13 8.017 8.017 8.085 -0.068 25868 50 1 . 1 1 14 14 LYS HA H 14 4.154 4.154 4.277 -0.123 25868 51 1 . 1 1 14 14 LYS CA C 14 57.675 57.675 56.963 0.712 25868 52 1 . 1 1 14 14 LYS CB C 14 32.196 32.196 32.390 -0.194 25868 53 1 . 1 1 14 14 LYS H H 14 8.011 8.011 8.328 -0.317 25868 54 1 . 1 1 15 15 ALA HA H 15 4.272 4.272 4.374 -0.102 25868 55 1 . 1 1 15 15 ALA C C 15 179.056 179.056 177.634 1.422 25868 56 1 . 1 1 15 15 ALA CA C 15 53.971 53.971 53.077 0.894 25868 57 1 . 1 1 15 15 ALA CB C 15 18.684 18.684 18.864 -0.180 25868 58 1 . 1 1 16 16 GLU N N 16 120.136 120.136 119.563 0.573 25868 59 1 . 1 1 16 16 GLU HA H 16 4.215 4.215 4.265 -0.050 25868 60 1 . 1 1 16 16 GLU C C 16 179.176 179.176 176.631 2.545 25868 61 1 . 1 1 16 16 GLU CA C 16 58.499 58.499 57.264 1.235 25868 62 1 . 1 1 16 16 GLU CB C 16 29.915 29.915 30.089 -0.174 25868 63 1 . 1 1 16 16 GLU H H 16 8.599 8.599 8.470 0.129 25868 64 1 . 1 1 17 17 GLU N N 17 120.683 120.683 119.226 1.457 25868 65 1 . 1 1 17 17 GLU HA H 17 4.074 4.074 4.267 -0.193 25868 66 1 . 1 1 17 17 GLU CA C 17 58.104 58.104 56.912 1.192 25868 67 1 . 1 1 17 17 GLU CB C 17 29.718 29.718 29.987 -0.269 25868 68 1 . 1 1 17 17 GLU H H 17 8.009 8.009 8.103 -0.094 25868 69 1 . 1 1 18 18 LEU HA H 18 4.330 4.330 4.381 -0.051 25868 70 1 . 1 1 18 18 LEU CA C 18 54.498 54.498 54.261 0.237 25868 71 1 . 1 1 18 18 LEU CB C 18 41.969 41.969 43.220 -1.251 25868 72 1 . 1 1 18 18 LEU H H 18 7.614 7.614 7.851 -0.237 25868 73 1 . 1 1 19 19 ASN HA H 19 4.409 4.409 4.569 -0.160 25868 74 1 . 1 1 19 19 ASN C C 19 174.609 174.609 174.648 -0.039 25868 75 1 . 1 1 19 19 ASN CA C 19 53.676 53.676 53.853 -0.177 25868 76 1 . 1 1 19 19 ASN CB C 19 37.825 37.825 37.816 0.010 25868 77 1 . 1 1 20 20 GLN N N 20 118.736 118.736 119.674 -0.938 25868 78 1 . 1 1 20 20 GLN HA H 20 4.460 4.460 4.477 -0.017 25868 79 1 . 1 1 20 20 GLN C C 20 176.659 176.659 175.479 1.180 25868 80 1 . 1 1 20 20 GLN CA C 20 54.688 54.688 55.379 -0.691 25868 81 1 . 1 1 20 20 GLN CB C 20 28.164 28.164 29.807 -1.643 25868 82 1 . 1 1 20 20 GLN H H 20 8.340 8.340 7.892 0.448 25868 83 1 . 1 1 21 21 GLY N N 21 111.864 111.864 109.324 2.540 25868 84 1 . 1 1 21 21 GLY CA C 21 47.053 47.053 45.808 1.245 25868 85 1 . 1 1 21 21 GLY H H 21 8.455 8.455 8.399 0.056 25868 86 1 . 1 1 23 23 LEU HA H 23 4.263 4.263 4.157 0.106 25868 87 1 . 1 1 23 23 LEU C C 23 179.620 179.620 177.288 2.332 25868 88 1 . 1 1 23 23 LEU CA C 23 56.394 56.394 56.084 0.310 25868 89 1 . 1 1 23 23 LEU CB C 23 41.551 41.551 42.077 -0.526 25868 90 1 . 1 1 24 24 MET N N 24 120.657 120.657 115.295 5.362 25868 91 1 . 1 1 24 24 MET HA H 24 4.077 4.077 4.402 -0.325 25868 92 1 . 1 1 24 24 MET CB C 24 34.035 34.035 33.950 0.085 25868 93 1 . 1 1 24 24 MET H H 24 8.219 8.219 7.365 0.854 25868 94 1 . 1 1 25 25 GLY N N 25 106.956 106.956 107.633 -0.677 25868 95 1 . 1 1 25 25 GLY C C 25 175.016 175.016 175.623 -0.607 25868 96 1 . 1 1 25 25 GLY CA C 25 47.771 47.771 46.402 1.369 25868 97 1 . 1 1 25 25 GLY H H 25 8.589 8.589 8.426 0.163 25868 98 1 . 1 1 26 26 ARG N N 26 119.970 119.970 122.889 -2.919 25868 99 1 . 1 1 26 26 ARG HA H 26 4.216 4.216 4.373 -0.157 25868 100 1 . 1 1 26 26 ARG C C 26 177.966 177.966 177.873 0.093 25868 101 1 . 1 1 26 26 ARG CA C 26 59.727 59.727 59.278 0.449 25868 102 1 . 1 1 26 26 ARG CB C 26 30.263 30.263 30.179 0.084 25868 103 1 . 1 1 26 26 ARG H H 26 8.297 8.297 7.966 0.331 25868 104 1 . 1 1 27 27 ALA N N 27 121.499 121.499 122.012 -0.513 25868 105 1 . 1 1 27 27 ALA HA H 27 4.264 4.264 4.134 0.130 25868 106 1 . 1 1 27 27 ALA C C 27 179.878 179.878 179.705 0.173 25868 107 1 . 1 1 27 27 ALA CA C 27 55.700 55.700 54.847 0.853 25868 108 1 . 1 1 27 27 ALA CB C 27 18.323 18.323 18.058 0.265 25868 109 1 . 1 1 27 27 ALA H H 27 7.816 7.816 8.331 -0.515 25868 110 1 . 1 1 28 28 LEU N N 28 117.285 117.285 118.924 -1.639 25868 111 1 . 1 1 28 28 LEU HA H 28 4.027 4.027 3.936 0.091 25868 112 1 . 1 1 28 28 LEU C C 28 178.158 178.158 178.834 -0.676 25868 113 1 . 1 1 28 28 LEU CA C 28 58.094 58.094 57.401 0.693 25868 114 1 . 1 1 28 28 LEU CB C 28 42.254 42.254 41.730 0.524 25868 115 1 . 1 1 28 28 LEU H H 28 8.066 8.066 7.875 0.191 25868 116 1 . 1 1 29 29 TYR N N 29 119.594 119.594 120.187 -0.593 25868 117 1 . 1 1 29 29 TYR HA H 29 3.994 3.994 4.342 -0.348 25868 118 1 . 1 1 29 29 TYR C C 29 176.382 176.382 177.687 -1.305 25868 119 1 . 1 1 29 29 TYR CA C 29 62.667 62.667 61.830 0.837 25868 120 1 . 1 1 29 29 TYR CB C 29 38.910 38.910 38.539 0.371 25868 121 1 . 1 1 29 29 TYR H H 29 8.568 8.568 8.202 0.366 25868 122 1 . 1 1 30 30 ASN N N 30 116.978 116.978 117.298 -0.320 25868 123 1 . 1 1 30 30 ASN HA H 30 4.261 4.261 4.221 0.040 25868 124 1 . 1 1 30 30 ASN C C 30 178.521 178.521 177.474 1.047 25868 125 1 . 1 1 30 30 ASN CA C 30 55.924 55.924 56.376 -0.452 25868 126 1 . 1 1 30 30 ASN CB C 30 36.463 36.463 38.178 -1.715 25868 127 1 . 1 1 30 30 ASN H H 30 8.290 8.290 7.869 0.421 25868 128 1 . 1 1 31 31 ILE N N 31 122.107 122.107 120.064 2.043 25868 129 1 . 1 1 31 31 ILE HA H 31 3.357 3.357 3.671 -0.314 25868 130 1 . 1 1 31 31 ILE C C 31 178.007 178.007 177.539 0.468 25868 131 1 . 1 1 31 31 ILE CA C 31 66.197 66.197 64.956 1.240 25868 132 1 . 1 1 31 31 ILE CB C 31 37.686 37.686 37.304 0.382 25868 133 1 . 1 1 31 31 ILE H H 31 8.006 8.006 7.710 0.296 25868 134 1 . 1 1 32 32 GLY N N 32 107.810 107.810 108.001 -0.191 25868 135 1 . 1 1 32 32 GLY C C 32 175.187 175.187 175.663 -0.476 25868 136 1 . 1 1 32 32 GLY CA C 32 48.520 48.520 46.801 1.719 25868 137 1 . 1 1 32 32 GLY H H 32 7.880 7.880 7.852 0.028 25868 138 1 . 1 1 33 33 LEU N N 33 120.587 120.587 121.755 -1.168 25868 139 1 . 1 1 33 33 LEU HA H 33 4.056 4.056 4.020 0.036 25868 140 1 . 1 1 33 33 LEU C C 33 180.635 180.635 179.263 1.372 25868 141 1 . 1 1 33 33 LEU CA C 33 58.151 58.151 57.726 0.425 25868 142 1 . 1 1 33 33 LEU CB C 33 41.677 41.677 41.572 0.105 25868 143 1 . 1 1 33 33 LEU H H 33 8.117 8.117 7.749 0.368 25868 144 1 . 1 1 34 34 GLU N N 34 120.332 120.332 118.616 1.716 25868 145 1 . 1 1 34 34 GLU HA H 34 3.973 3.973 4.067 -0.094 25868 146 1 . 1 1 34 34 GLU C C 34 179.479 179.479 179.296 0.184 25868 147 1 . 1 1 34 34 GLU CA C 34 58.862 58.862 59.107 -0.245 25868 148 1 . 1 1 34 34 GLU CB C 34 29.151 29.151 28.965 0.186 25868 149 1 . 1 1 34 34 GLU H H 34 7.763 7.763 7.758 0.005 25868 150 1 . 1 1 35 35 LYS N N 35 118.642 118.642 118.975 -0.333 25868 151 1 . 1 1 35 35 LYS HA H 35 3.913 3.913 4.010 -0.097 25868 152 1 . 1 1 35 35 LYS C C 35 179.149 179.149 178.690 0.459 25868 153 1 . 1 1 35 35 LYS CA C 35 57.842 57.842 58.884 -1.042 25868 154 1 . 1 1 35 35 LYS CB C 35 30.714 30.714 32.034 -1.320 25868 155 1 . 1 1 35 35 LYS H H 35 8.573 8.573 7.855 0.718 25868 156 1 . 1 1 36 36 ASN N N 36 119.047 119.047 117.304 1.743 25868 157 1 . 1 1 36 36 ASN HA H 36 4.308 4.308 4.487 -0.179 25868 158 1 . 1 1 36 36 ASN C C 36 179.782 179.782 177.520 2.262 25868 159 1 . 1 1 36 36 ASN CA C 36 55.659 55.659 55.739 -0.081 25868 160 1 . 1 1 36 36 ASN CB C 36 38.192 38.192 38.431 -0.239 25868 161 1 . 1 1 36 36 ASN H H 36 8.348 8.348 8.130 0.218 25868 162 1 . 1 1 37 37 LYS N N 37 121.477 121.477 119.737 1.740 25868 163 1 . 1 1 37 37 LYS HA H 37 4.084 4.084 4.121 -0.037 25868 164 1 . 1 1 37 37 LYS C C 37 177.938 177.938 178.139 -0.201 25868 165 1 . 1 1 37 37 LYS CA C 37 59.290 59.290 58.552 0.738 25868 166 1 . 1 1 37 37 LYS CB C 37 32.209 32.209 32.322 -0.113 25868 167 1 . 1 1 37 37 LYS H H 37 7.956 7.956 7.806 0.150 25868 168 1 . 1 1 38 38 MET N N 38 114.976 114.976 116.049 -1.073 25868 169 1 . 1 1 38 38 MET HA H 38 4.519 4.519 4.456 0.063 25868 170 1 . 1 1 38 38 MET C C 38 175.847 175.847 176.564 -0.717 25868 171 1 . 1 1 38 38 MET CA C 38 55.264 55.264 55.774 -0.511 25868 172 1 . 1 1 38 38 MET CB C 38 33.388 33.388 33.104 0.284 25868 173 1 . 1 1 38 38 MET H H 38 7.394 7.394 7.593 -0.199 25868 174 1 . 1 1 39 39 GLY N N 39 107.575 107.575 106.962 0.613 25868 175 1 . 1 1 39 39 GLY C C 39 174.994 174.994 174.909 0.085 25868 176 1 . 1 1 39 39 GLY CA C 39 45.751 45.751 45.259 0.492 25868 177 1 . 1 1 39 39 GLY H H 39 7.906 7.906 7.592 0.314 25868 178 1 . 1 1 40 40 LYS N N 40 122.563 122.563 122.515 0.048 25868 179 1 . 1 1 40 40 LYS HA H 40 4.736 4.736 4.364 0.372 25868 180 1 . 1 1 40 40 LYS C C 40 175.847 175.847 175.574 0.273 25868 181 1 . 1 1 40 40 LYS CA C 40 53.380 53.380 54.806 -1.426 25868 182 1 . 1 1 40 40 LYS CB C 40 30.422 30.422 30.635 -0.213 25868 183 1 . 1 1 40 40 LYS H H 40 7.958 7.958 8.047 -0.089 25868 184 1 . 1 1 41 41 ALA N N 41 123.662 123.662 124.173 -0.511 25868 185 1 . 1 1 41 41 ALA HA H 41 4.135 4.135 4.164 -0.029 25868 186 1 . 1 1 41 41 ALA C C 41 178.736 178.736 178.705 0.031 25868 187 1 . 1 1 41 41 ALA CA C 41 55.729 55.729 54.682 1.047 25868 188 1 . 1 1 41 41 ALA CB C 41 19.966 19.966 18.950 1.016 25868 189 1 . 1 1 41 41 ALA H H 41 7.487 7.487 7.932 -0.445 25868 190 1 . 1 1 42 42 ARG N N 42 118.612 118.612 118.995 -0.383 25868 191 1 . 1 1 42 42 ARG HA H 42 4.000 4.000 4.015 -0.015 25868 192 1 . 1 1 42 42 ARG C C 42 178.901 178.901 178.050 0.851 25868 193 1 . 1 1 42 42 ARG CA C 42 58.797 58.797 59.115 -0.318 25868 194 1 . 1 1 42 42 ARG CB C 42 28.874 28.874 29.548 -0.674 25868 195 1 . 1 1 42 42 ARG H H 42 8.864 8.864 8.598 0.266 25868 196 1 . 1 1 43 43 GLU N N 43 120.194 120.194 119.030 1.164 25868 197 1 . 1 1 43 43 GLU HA H 43 4.123 4.123 4.025 0.098 25868 198 1 . 1 1 43 43 GLU C C 43 178.901 178.901 178.483 0.418 25868 199 1 . 1 1 43 43 GLU CA C 43 59.438 59.438 59.255 0.183 25868 200 1 . 1 1 43 43 GLU CB C 43 29.934 29.934 29.066 0.868 25868 201 1 . 1 1 43 43 GLU H H 43 8.062 8.062 8.335 -0.273 25868 202 1 . 1 1 44 44 ALA N N 44 121.369 121.369 122.378 -1.009 25868 203 1 . 1 1 44 44 ALA HA H 44 3.573 3.573 3.740 -0.167 25868 204 1 . 1 1 44 44 ALA C C 44 177.911 177.911 178.922 -1.011 25868 205 1 . 1 1 44 44 ALA CA C 44 55.762 55.762 55.010 0.752 25868 206 1 . 1 1 44 44 ALA CB C 44 18.548 18.548 18.161 0.387 25868 207 1 . 1 1 44 44 ALA H H 44 8.627 8.627 7.832 0.795 25868 208 1 . 1 1 45 45 ALA N N 45 117.108 117.108 120.334 -3.226 25868 209 1 . 1 1 45 45 ALA HA H 45 4.085 4.085 4.164 -0.079 25868 210 1 . 1 1 45 45 ALA C C 45 178.078 178.078 179.664 -1.586 25868 211 1 . 1 1 45 45 ALA CA C 45 55.576 55.576 55.147 0.429 25868 212 1 . 1 1 45 45 ALA CB C 45 17.440 17.440 18.285 -0.844 25868 213 1 . 1 1 45 45 ALA H H 45 8.310 8.310 7.858 0.452 25868 214 1 . 1 1 46 46 GLU N N 46 115.941 115.941 119.175 -3.234 25868 215 1 . 1 1 46 46 GLU HA H 46 3.919 3.919 4.122 -0.203 25868 216 1 . 1 1 46 46 GLU C C 46 179.341 179.341 179.161 0.180 25868 217 1 . 1 1 46 46 GLU CA C 46 59.757 59.757 59.268 0.489 25868 218 1 . 1 1 46 46 GLU CB C 46 29.137 29.137 29.353 -0.216 25868 219 1 . 1 1 46 46 GLU H H 46 7.451 7.451 7.743 -0.292 25868 220 1 . 1 1 47 47 TYR N N 47 117.925 117.925 119.178 -1.253 25868 221 1 . 1 1 47 47 TYR HA H 47 3.845 3.845 4.241 -0.396 25868 222 1 . 1 1 47 47 TYR C C 47 178.544 178.544 178.570 -0.026 25868 223 1 . 1 1 47 47 TYR CA C 47 64.664 64.664 60.903 3.761 25868 224 1 . 1 1 47 47 TYR CB C 47 37.314 37.314 37.996 -0.682 25868 225 1 . 1 1 47 47 TYR H H 47 7.746 7.746 7.699 0.047 25868 226 1 . 1 1 48 48 PHE N N 48 118.758 118.758 118.566 0.192 25868 227 1 . 1 1 48 48 PHE HA H 48 4.748 4.748 4.445 0.303 25868 228 1 . 1 1 48 48 PHE C C 48 178.227 178.227 178.100 0.127 25868 229 1 . 1 1 48 48 PHE CA C 48 59.553 59.553 60.091 -0.538 25868 230 1 . 1 1 48 48 PHE CB C 48 38.149 38.149 38.252 -0.103 25868 231 1 . 1 1 48 48 PHE H H 48 9.054 9.054 8.313 0.741 25868 232 1 . 1 1 49 49 PHE N N 49 120.234 120.234 121.860 -1.626 25868 233 1 . 1 1 49 49 PHE HA H 49 4.498 4.498 4.336 0.162 25868 234 1 . 1 1 49 49 PHE C C 49 176.645 176.645 177.236 -0.591 25868 235 1 . 1 1 49 49 PHE CA C 49 61.221 61.221 61.330 -0.109 25868 236 1 . 1 1 49 49 PHE CB C 49 40.289 40.289 39.188 1.101 25868 237 1 . 1 1 49 49 PHE H H 49 8.981 8.981 8.230 0.751 25868 238 1 . 1 1 50 50 ARG N N 50 117.925 117.925 118.577 -0.652 25868 239 1 . 1 1 50 50 ARG HA H 50 3.780 3.780 3.800 -0.020 25868 240 1 . 1 1 50 50 ARG C C 50 179.369 179.369 178.612 0.757 25868 241 1 . 1 1 50 50 ARG CA C 50 59.829 59.829 59.391 0.438 25868 242 1 . 1 1 50 50 ARG CB C 50 30.523 30.523 29.931 0.592 25868 243 1 . 1 1 50 50 ARG H H 50 8.450 8.450 8.409 0.041 25868 244 1 . 1 1 51 51 ALA N N 51 120.897 120.897 121.904 -1.007 25868 245 1 . 1 1 51 51 ALA HA H 51 3.716 3.716 4.015 -0.299 25868 246 1 . 1 1 51 51 ALA C C 51 177.085 177.085 178.991 -1.906 25868 247 1 . 1 1 51 51 ALA CA C 51 55.098 55.098 54.957 0.141 25868 248 1 . 1 1 51 51 ALA CB C 51 17.266 17.266 18.474 -1.208 25868 249 1 . 1 1 51 51 ALA H H 51 8.697 8.697 8.011 0.686 25868 250 1 . 1 1 52 52 ALA N N 52 120.007 120.007 121.167 -1.160 25868 251 1 . 1 1 52 52 ALA HA H 52 4.069 4.069 4.317 -0.248 25868 252 1 . 1 1 52 52 ALA C C 52 178.067 178.067 179.780 -1.713 25868 253 1 . 1 1 52 52 ALA CA C 52 56.108 56.108 55.049 1.060 25868 254 1 . 1 1 52 52 ALA CB C 52 17.253 17.253 18.682 -1.428 25868 255 1 . 1 1 52 52 ALA H H 52 8.483 8.483 7.855 0.628 25868 256 1 . 1 1 53 53 ILE N N 53 116.864 116.864 118.942 -2.078 25868 257 1 . 1 1 53 53 ILE HA H 53 3.183 3.183 3.139 0.044 25868 258 1 . 1 1 53 53 ILE C C 53 178.323 178.323 177.605 0.718 25868 259 1 . 1 1 53 53 ILE CA C 53 65.765 65.765 65.161 0.604 25868 260 1 . 1 1 53 53 ILE CB C 53 38.476 38.476 37.530 0.946 25868 261 1 . 1 1 53 53 ILE H H 53 8.033 8.033 7.893 0.140 25868 262 1 . 1 1 54 54 VAL N N 54 119.604 119.604 119.877 -0.273 25868 263 1 . 1 1 54 54 VAL HA H 54 3.491 3.491 3.521 -0.030 25868 264 1 . 1 1 54 54 VAL C C 54 178.200 178.200 178.212 -0.012 25868 265 1 . 1 1 54 54 VAL CA C 54 66.376 66.376 66.162 0.214 25868 266 1 . 1 1 54 54 VAL CB C 54 31.408 31.408 31.120 0.288 25868 267 1 . 1 1 54 54 VAL H H 54 7.126 7.126 7.312 -0.186 25868 268 1 . 1 1 55 55 PHE N N 55 118.386 118.386 118.225 0.161 25868 269 1 . 1 1 55 55 PHE HA H 55 4.536 4.536 4.173 0.363 25868 270 1 . 1 1 55 55 PHE C C 55 178.571 178.571 177.716 0.855 25868 271 1 . 1 1 55 55 PHE CA C 55 59.487 59.487 61.056 -1.569 25868 272 1 . 1 1 55 55 PHE CB C 55 38.157 38.157 37.838 0.319 25868 273 1 . 1 1 55 55 PHE H H 55 9.061 9.061 8.005 1.056 25868 274 1 . 1 1 56 56 TYR N N 56 119.488 119.488 120.872 -1.384 25868 275 1 . 1 1 56 56 TYR HA H 56 4.351 4.351 3.944 0.407 25868 276 1 . 1 1 56 56 TYR C C 56 178.871 178.871 177.107 1.764 25868 277 1 . 1 1 56 56 TYR CA C 56 59.494 59.494 61.011 -1.517 25868 278 1 . 1 1 56 56 TYR CB C 56 37.803 37.803 38.117 -0.314 25868 279 1 . 1 1 56 56 TYR H H 56 8.975 8.975 7.990 0.985 25868 280 1 . 1 1 57 57 LYS N N 57 121.083 121.083 117.506 3.577 25868 281 1 . 1 1 57 57 LYS HA H 57 3.463 3.463 3.604 -0.141 25868 282 1 . 1 1 57 57 LYS C C 57 178.103 178.103 177.989 0.114 25868 283 1 . 1 1 57 57 LYS CA C 57 58.845 58.845 58.361 0.485 25868 284 1 . 1 1 57 57 LYS CB C 57 31.725 31.725 32.005 -0.280 25868 285 1 . 1 1 57 57 LYS H H 57 7.753 7.753 7.676 0.077 25868 286 1 . 1 1 58 58 GLU N N 58 114.098 114.098 115.654 -1.556 25868 287 1 . 1 1 58 58 GLU HA H 58 4.157 4.157 4.257 -0.100 25868 288 1 . 1 1 58 58 GLU C C 58 175.655 175.655 176.349 -0.694 25868 289 1 . 1 1 58 58 GLU CA C 58 55.134 55.134 56.110 -0.976 25868 290 1 . 1 1 58 58 GLU CB C 58 29.640 29.640 29.968 -0.328 25868 291 1 . 1 1 58 58 GLU H H 58 7.849 7.849 7.647 0.202 25868 292 1 . 1 1 59 59 HIS N N 59 115.781 115.781 113.699 2.082 25868 293 1 . 1 1 59 59 HIS HA H 59 4.210 4.210 4.339 -0.129 25868 294 1 . 1 1 59 59 HIS C C 59 173.784 173.784 174.157 -0.373 25868 295 1 . 1 1 59 59 HIS CA C 59 56.411 56.411 56.985 -0.574 25868 296 1 . 1 1 59 59 HIS CB C 59 25.838 25.838 27.031 -1.193 25868 297 1 . 1 1 59 59 HIS H H 59 7.659 7.659 7.345 0.314 25868 298 1 . 1 1 60 60 ASP N N 60 118.780 118.780 120.449 -1.669 25868 299 1 . 1 1 60 60 ASP HA H 60 4.859 4.859 4.746 0.113 25868 300 1 . 1 1 60 60 ASP C C 60 175.847 175.847 176.852 -1.005 25868 301 1 . 1 1 60 60 ASP CA C 60 51.803 51.803 53.327 -1.524 25868 302 1 . 1 1 60 60 ASP CB C 60 40.131 40.131 40.741 -0.610 25868 303 1 . 1 1 60 60 ASP H H 60 8.660 8.660 8.187 0.473 25868 304 1 . 1 1 61 61 THR N N 61 118.884 118.884 119.217 -0.333 25868 305 1 . 1 1 61 61 THR HA H 61 3.763 3.763 4.023 -0.260 25868 306 1 . 1 1 61 61 THR C C 61 175.886 175.886 176.122 -0.236 25868 307 1 . 1 1 61 61 THR CA C 61 66.159 66.159 66.149 0.010 25868 308 1 . 1 1 61 61 THR CB C 61 68.168 68.168 68.753 -0.585 25868 309 1 . 1 1 61 61 THR H H 61 7.955 7.955 8.157 -0.202 25868 310 1 . 1 1 62 62 ASP N N 62 121.668 121.668 122.030 -0.362 25868 311 1 . 1 1 62 62 ASP HA H 62 4.262 4.262 4.347 -0.085 25868 312 1 . 1 1 62 62 ASP C C 62 178.461 178.461 178.145 0.316 25868 313 1 . 1 1 62 62 ASP CA C 62 57.449 57.449 57.323 0.126 25868 314 1 . 1 1 62 62 ASP CB C 62 40.935 40.935 40.341 0.594 25868 315 1 . 1 1 62 62 ASP H H 62 8.298 8.298 8.183 0.115 25868 316 1 . 1 1 63 63 GLY N N 63 109.003 109.003 107.487 1.516 25868 317 1 . 1 1 63 63 GLY C C 63 175.517 175.517 175.585 -0.068 25868 318 1 . 1 1 63 63 GLY CA C 63 46.059 46.059 46.019 0.040 25868 319 1 . 1 1 63 63 GLY H H 63 8.018 8.018 7.943 0.075 25868 320 1 . 1 1 64 64 LEU N N 64 122.504 122.504 122.874 -0.370 25868 321 1 . 1 1 64 64 LEU HA H 64 4.082 4.082 4.197 -0.115 25868 322 1 . 1 1 64 64 LEU C C 64 177.333 177.333 178.337 -1.004 25868 323 1 . 1 1 64 64 LEU CA C 64 58.493 58.493 57.441 1.052 25868 324 1 . 1 1 64 64 LEU CB C 64 42.107 42.107 41.925 0.182 25868 325 1 . 1 1 64 64 LEU H H 64 8.073 8.073 7.834 0.239 25868 326 1 . 1 1 65 65 ARG N N 65 118.626 118.626 118.735 -0.109 25868 327 1 . 1 1 65 65 ARG HA H 65 3.892 3.892 3.917 -0.025 25868 328 1 . 1 1 65 65 ARG C C 65 179.045 179.045 178.417 0.628 25868 329 1 . 1 1 65 65 ARG CA C 65 59.855 59.855 59.739 0.116 25868 330 1 . 1 1 65 65 ARG CB C 65 29.935 29.935 30.024 -0.089 25868 331 1 . 1 1 65 65 ARG H H 65 8.491 8.491 7.992 0.499 25868 332 1 . 1 1 66 66 ARG N N 66 119.009 119.009 119.170 -0.161 25868 333 1 . 1 1 66 66 ARG HA H 66 3.967 3.967 3.991 -0.024 25868 334 1 . 1 1 66 66 ARG C C 66 178.943 178.943 178.212 0.731 25868 335 1 . 1 1 66 66 ARG CA C 66 59.213 59.213 58.835 0.378 25868 336 1 . 1 1 66 66 ARG CB C 66 29.551 29.551 29.664 -0.113 25868 337 1 . 1 1 66 66 ARG H H 66 7.601 7.601 7.747 -0.146 25868 338 1 . 1 1 67 67 ALA N N 67 122.174 122.174 120.901 1.273 25868 339 1 . 1 1 67 67 ALA HA H 67 4.177 4.177 4.363 -0.186 25868 340 1 . 1 1 67 67 ALA C C 67 178.654 178.654 179.557 -0.903 25868 341 1 . 1 1 67 67 ALA CA C 67 56.094 56.094 54.753 1.341 25868 342 1 . 1 1 67 67 ALA CB C 67 17.879 17.879 18.371 -0.492 25868 343 1 . 1 1 67 67 ALA H H 67 8.681 8.681 8.012 0.669 25868 344 1 . 1 1 68 68 ALA N N 68 119.208 119.208 121.580 -2.372 25868 345 1 . 1 1 68 68 ALA HA H 68 3.951 3.951 4.025 -0.074 25868 346 1 . 1 1 68 68 ALA C C 68 179.562 179.562 179.363 0.199 25868 347 1 . 1 1 68 68 ALA CA C 68 55.565 55.565 55.075 0.490 25868 348 1 . 1 1 68 68 ALA CB C 68 17.841 17.841 18.322 -0.481 25868 349 1 . 1 1 68 68 ALA H H 68 9.060 9.060 8.060 1.000 25868 350 1 . 1 1 69 69 LYS N N 69 119.434 119.434 118.725 0.709 25868 351 1 . 1 1 69 69 LYS HA H 69 3.990 3.990 4.009 -0.019 25868 352 1 . 1 1 69 69 LYS C C 69 178.929 178.929 178.874 0.055 25868 353 1 . 1 1 69 69 LYS CA C 69 59.535 59.535 59.120 0.415 25868 354 1 . 1 1 69 69 LYS CB C 69 32.110 32.110 32.211 -0.101 25868 355 1 . 1 1 69 69 LYS H H 69 7.997 7.997 8.050 -0.053 25868 356 1 . 1 1 70 70 SER N N 70 116.406 116.406 115.308 1.098 25868 357 1 . 1 1 70 70 SER HA H 70 3.908 3.908 4.154 -0.246 25868 358 1 . 1 1 70 70 SER C C 70 175.957 175.957 176.395 -0.438 25868 359 1 . 1 1 70 70 SER CA C 70 62.776 62.776 60.862 1.914 25868 360 1 . 1 1 70 70 SER CB C 70 60.389 60.389 62.290 -1.901 25868 361 1 . 1 1 70 70 SER H H 70 8.105 8.105 7.774 0.331 25868 362 1 . 1 1 71 71 LEU N N 71 123.712 123.712 123.217 0.495 25868 363 1 . 1 1 71 71 LEU HA H 71 4.081 4.081 4.225 -0.144 25868 364 1 . 1 1 71 71 LEU C C 71 176.893 176.893 178.261 -1.368 25868 365 1 . 1 1 71 71 LEU CA C 71 58.977 58.977 58.260 0.717 25868 366 1 . 1 1 71 71 LEU CB C 71 42.444 42.444 41.987 0.457 25868 367 1 . 1 1 71 71 LEU H H 71 8.315 8.315 7.911 0.404 25868 368 1 . 1 1 72 72 LYS N N 72 117.431 117.431 117.775 -0.344 25868 369 1 . 1 1 72 72 LYS HA H 72 3.862 3.862 3.989 -0.127 25868 370 1 . 1 1 72 72 LYS C C 72 179.617 179.617 178.977 0.640 25868 371 1 . 1 1 72 72 LYS CA C 72 59.540 59.540 59.346 0.194 25868 372 1 . 1 1 72 72 LYS CB C 72 31.990 31.990 31.939 0.051 25868 373 1 . 1 1 72 72 LYS H H 72 7.785 7.785 7.649 0.136 25868 374 1 . 1 1 73 73 GLU N N 73 117.402 117.402 119.145 -1.743 25868 375 1 . 1 1 73 73 GLU HA H 73 4.019 4.019 4.189 -0.170 25868 376 1 . 1 1 73 73 GLU C C 73 178.475 178.475 178.520 -0.045 25868 377 1 . 1 1 73 73 GLU CA C 73 58.645 58.645 58.361 0.284 25868 378 1 . 1 1 73 73 GLU CB C 73 29.409 29.409 29.316 0.093 25868 379 1 . 1 1 73 73 GLU H H 73 7.920 7.920 7.907 0.013 25868 380 1 . 1 1 74 74 ALA N N 74 122.211 122.211 122.177 0.034 25868 381 1 . 1 1 74 74 ALA HA H 74 4.319 4.319 4.301 0.018 25868 382 1 . 1 1 74 74 ALA C C 74 178.839 178.839 179.326 -0.487 25868 383 1 . 1 1 74 74 ALA CA C 74 54.378 54.378 54.749 -0.371 25868 384 1 . 1 1 74 74 ALA CB C 74 17.530 17.530 18.910 -1.379 25868 385 1 . 1 1 74 74 ALA H H 74 8.010 8.010 7.737 0.273 25868 386 1 . 1 1 75 75 ILE N N 75 113.486 113.486 118.045 -4.559 25868 387 1 . 1 1 75 75 ILE HA H 75 3.415 3.415 3.767 -0.352 25868 388 1 . 1 1 75 75 ILE C C 75 177.333 177.333 178.266 -0.933 25868 389 1 . 1 1 75 75 ILE CA C 75 65.814 65.814 64.084 1.730 25868 390 1 . 1 1 75 75 ILE CB C 75 38.197 38.197 37.387 0.810 25868 391 1 . 1 1 75 75 ILE H H 75 7.405 7.405 7.794 -0.389 25868 392 1 . 1 1 76 76 THR N N 76 105.977 105.977 112.384 -6.407 25868 393 1 . 1 1 76 76 THR HA H 76 3.963 3.963 4.090 -0.127 25868 394 1 . 1 1 76 76 THR C C 76 174.609 174.609 175.442 -0.833 25868 395 1 . 1 1 76 76 THR CA C 76 63.773 63.773 64.629 -0.856 25868 396 1 . 1 1 76 76 THR CB C 76 68.757 68.757 68.686 0.071 25868 397 1 . 1 1 76 76 THR H H 76 7.217 7.217 7.846 -0.629 25868 398 1 . 1 1 77 77 ALA N N 77 122.534 122.534 123.244 -0.710 25868 399 1 . 1 1 77 77 ALA HA H 77 4.417 4.417 4.479 -0.062 25868 400 1 . 1 1 77 77 ALA C C 77 177.085 177.085 177.706 -0.621 25868 401 1 . 1 1 77 77 ALA CA C 77 51.628 51.628 51.800 -0.172 25868 402 1 . 1 1 77 77 ALA CB C 77 19.781 19.781 19.417 0.364 25868 403 1 . 1 1 77 77 ALA H H 77 7.486 7.486 7.297 0.189 25868 404 1 . 1 1 78 78 ILE N N 78 123.223 123.223 122.312 0.911 25868 405 1 . 1 1 78 78 ILE HA H 78 4.212 4.212 4.098 0.114 25868 406 1 . 1 1 78 78 ILE C C 78 174.939 174.939 174.435 0.504 25868 407 1 . 1 1 78 78 ILE CA C 78 59.798 59.798 59.802 -0.004 25868 408 1 . 1 1 78 78 ILE CB C 78 39.616 39.616 37.911 1.705 25868 409 1 . 1 1 78 78 ILE H H 78 7.428 7.428 7.260 0.168 25868 410 1 . 1 1 79 79 PRO HA H 79 4.438 4.438 4.415 0.023 25868 411 1 . 1 1 79 79 PRO CA C 79 64.085 64.085 63.122 0.963 25868 412 1 . 1 1 79 79 PRO CB C 79 32.309 32.309 32.274 0.035 25868 413 1 . 1 1 83 83 GLY N N 83 105.726 105.726 109.505 -3.779 25868 414 1 . 1 1 83 83 GLY C C 83 175.765 175.765 175.013 0.752 25868 415 1 . 1 1 83 83 GLY CA C 83 46.491 46.491 45.598 0.893 25868 416 1 . 1 1 83 83 GLY H H 83 7.613 7.613 8.341 -0.728 25868 417 1 . 1 1 84 84 ARG HA H 84 3.884 3.884 4.025 -0.141 25868 418 1 . 1 1 84 84 ARG CA C 84 60.321 60.321 57.970 2.351 25868 419 1 . 1 1 84 84 ARG CB C 84 30.827 30.827 29.540 1.287 25868 420 1 . 1 1 86 86 GLU HA H 86 3.984 3.984 4.170 -0.186 25868 421 1 . 1 1 86 86 GLU C C 86 179.163 179.163 177.899 1.264 25868 422 1 . 1 1 86 86 GLU CA C 86 59.196 59.196 58.372 0.824 25868 423 1 . 1 1 86 86 GLU CB C 86 28.928 28.928 29.286 -0.358 25868 424 1 . 1 1 86 86 GLU H H 86 7.965 7.965 8.072 -0.107 25868 425 1 . 1 1 87 87 ALA N N 87 122.092 122.092 122.144 -0.052 25868 426 1 . 1 1 87 87 ALA HA H 87 4.199 4.199 4.028 0.171 25868 427 1 . 1 1 87 87 ALA C C 87 178.980 178.980 179.171 -0.191 25868 428 1 . 1 1 87 87 ALA CA C 87 54.669 54.669 54.445 0.224 25868 429 1 . 1 1 87 87 ALA CB C 87 18.413 18.413 18.462 -0.049 25868 430 1 . 1 1 87 87 ALA H H 87 8.108 8.108 7.822 0.286 25868 431 1 . 1 1 88 88 LYS N N 88 118.808 118.808 119.064 -0.256 25868 432 1 . 1 1 88 88 LYS HA H 88 3.893 3.893 3.976 -0.083 25868 433 1 . 1 1 88 88 LYS C C 88 179.341 179.341 178.504 0.837 25868 434 1 . 1 1 88 88 LYS CA C 88 60.003 60.003 59.171 0.832 25868 435 1 . 1 1 88 88 LYS CB C 88 32.226 32.226 32.122 0.104 25868 436 1 . 1 1 88 88 LYS H H 88 8.501 8.501 7.761 0.739 25868 437 1 . 1 1 89 89 GLU N N 89 119.454 119.454 118.527 0.927 25868 438 1 . 1 1 89 89 GLU HA H 89 3.995 3.995 3.991 0.004 25868 439 1 . 1 1 89 89 GLU C C 89 179.017 179.017 178.822 0.195 25868 440 1 . 1 1 89 89 GLU CA C 89 58.943 58.943 58.903 0.040 25868 441 1 . 1 1 89 89 GLU CB C 89 28.832 28.832 28.998 -0.166 25868 442 1 . 1 1 89 89 GLU H H 89 7.544 7.544 7.843 -0.299 25868 443 1 . 1 1 90 90 MET N N 90 119.262 119.262 117.868 1.394 25868 444 1 . 1 1 90 90 MET HA H 90 3.284 3.284 3.668 -0.384 25868 445 1 . 1 1 90 90 MET C C 90 177.003 177.003 177.960 -0.957 25868 446 1 . 1 1 90 90 MET CA C 90 59.168 59.168 58.321 0.847 25868 447 1 . 1 1 90 90 MET CB C 90 33.468 33.468 31.755 1.713 25868 448 1 . 1 1 90 90 MET H H 90 7.600 7.600 7.311 0.289 25868 449 1 . 1 1 91 91 ALA N N 91 120.041 120.041 122.116 -2.075 25868 450 1 . 1 1 91 91 ALA HA H 91 3.868 3.868 3.971 -0.103 25868 451 1 . 1 1 91 91 ALA C C 91 179.039 179.039 179.198 -0.159 25868 452 1 . 1 1 91 91 ALA CA C 91 55.030 55.030 55.193 -0.163 25868 453 1 . 1 1 91 91 ALA CB C 91 18.084 18.084 18.047 0.037 25868 454 1 . 1 1 91 91 ALA H H 91 8.212 8.212 7.729 0.483 25868 455 1 . 1 1 92 92 LYS N N 92 118.442 118.442 117.924 0.518 25868 456 1 . 1 1 92 92 LYS HA H 92 3.922 3.922 3.998 -0.076 25868 457 1 . 1 1 92 92 LYS C C 92 178.874 178.874 178.838 0.036 25868 458 1 . 1 1 92 92 LYS CA C 92 59.121 59.121 59.104 0.017 25868 459 1 . 1 1 92 92 LYS CB C 92 32.243 32.243 32.011 0.232 25868 460 1 . 1 1 92 92 LYS H H 92 7.819 7.819 7.607 0.212 25868 461 1 . 1 1 93 93 LYS N N 93 119.228 119.228 118.854 0.374 25868 462 1 . 1 1 93 93 LYS HA H 93 3.577 3.577 3.645 -0.068 25868 463 1 . 1 1 93 93 LYS C C 93 176.618 176.618 178.157 -1.539 25868 464 1 . 1 1 93 93 LYS CA C 93 58.126 58.126 58.543 -0.417 25868 465 1 . 1 1 93 93 LYS CB C 93 31.145 31.145 31.672 -0.527 25868 466 1 . 1 1 93 93 LYS H H 93 7.449 7.449 7.450 -0.001 25868 467 1 . 1 1 94 94 ALA N N 94 117.825 117.825 120.711 -2.886 25868 468 1 . 1 1 94 94 ALA HA H 94 3.781 3.781 3.882 -0.101 25868 469 1 . 1 1 94 94 ALA C C 94 178.736 178.736 179.559 -0.823 25868 470 1 . 1 1 94 94 ALA CA C 94 54.878 54.878 55.095 -0.217 25868 471 1 . 1 1 94 94 ALA CB C 94 17.243 17.243 18.311 -1.068 25868 472 1 . 1 1 94 94 ALA H H 94 7.698 7.698 7.683 0.015 25868 473 1 . 1 1 95 95 GLU N N 95 115.361 115.361 118.410 -3.049 25868 474 1 . 1 1 95 95 GLU HA H 95 3.909 3.909 4.019 -0.110 25868 475 1 . 1 1 95 95 GLU C C 95 178.984 178.984 179.099 -0.115 25868 476 1 . 1 1 95 95 GLU CA C 95 59.380 59.380 59.238 0.142 25868 477 1 . 1 1 95 95 GLU CB C 95 29.476 29.476 29.349 0.127 25868 478 1 . 1 1 95 95 GLU H H 95 7.907 7.907 7.700 0.207 25868 479 1 . 1 1 96 96 GLU N N 96 121.608 121.608 119.836 1.772 25868 480 1 . 1 1 96 96 GLU HA H 96 3.949 3.949 4.106 -0.157 25868 481 1 . 1 1 96 96 GLU C C 96 180.249 180.249 179.274 0.975 25868 482 1 . 1 1 96 96 GLU CA C 96 59.197 59.197 59.002 0.195 25868 483 1 . 1 1 96 96 GLU CB C 96 28.880 28.880 29.115 -0.235 25868 484 1 . 1 1 96 96 GLU H H 96 7.815 7.815 7.936 -0.121 25868 485 1 . 1 1 97 97 TRP N N 97 122.511 122.511 119.592 2.919 25868 486 1 . 1 1 97 97 TRP HA H 97 4.398 4.398 4.356 0.042 25868 487 1 . 1 1 97 97 TRP C C 97 178.007 178.007 178.745 -0.738 25868 488 1 . 1 1 97 97 TRP CA C 97 57.736 57.736 58.850 -1.114 25868 489 1 . 1 1 97 97 TRP CB C 97 27.978 27.978 28.200 -0.222 25868 490 1 . 1 1 97 97 TRP H H 97 8.069 8.069 8.079 -0.010 25868 491 1 . 1 1 98 98 LEU N N 98 119.235 119.235 121.062 -1.827 25868 492 1 . 1 1 98 98 LEU HA H 98 4.083 4.083 4.052 0.031 25868 493 1 . 1 1 98 98 LEU C C 98 178.599 178.599 178.892 -0.293 25868 494 1 . 1 1 98 98 LEU CA C 98 57.654 57.654 58.291 -0.637 25868 495 1 . 1 1 98 98 LEU CB C 98 41.965 41.965 41.673 0.292 25868 496 1 . 1 1 98 98 LEU H H 98 8.077 8.077 7.774 0.303 25868 497 1 . 1 1 99 99 GLN N N 99 117.609 117.609 117.382 0.227 25868 498 1 . 1 1 99 99 GLN HA H 99 4.116 4.116 4.069 0.047 25868 499 1 . 1 1 99 99 GLN C C 99 177.636 177.636 178.022 -0.386 25868 500 1 . 1 1 99 99 GLN CA C 99 57.720 57.720 58.280 -0.560 25868 501 1 . 1 1 99 99 GLN CB C 99 28.246 28.246 28.413 -0.167 25868 502 1 . 1 1 99 99 GLN H H 99 8.077 8.077 8.073 0.004 25868 503 1 . 1 1 100 100 ALA N N 100 122.106 122.106 121.117 0.988 25868 504 1 . 1 1 100 100 ALA HA H 100 4.305 4.305 4.214 0.091 25868 505 1 . 1 1 100 100 ALA C C 100 179.424 179.424 179.392 0.032 25868 506 1 . 1 1 100 100 ALA CA C 100 54.053 54.053 54.431 -0.378 25868 507 1 . 1 1 100 100 ALA CB C 100 18.553 18.553 18.893 -0.340 25868 508 1 . 1 1 100 100 ALA H H 100 7.944 7.944 7.683 0.261 25868 509 1 . 1 1 101 101 GLU N N 101 117.817 117.817 117.025 0.792 25868 510 1 . 1 1 101 101 GLU HA H 101 4.356 4.356 4.336 0.020 25868 511 1 . 1 1 101 101 GLU C C 101 177.415 177.415 177.692 -0.277 25868 512 1 . 1 1 101 101 GLU CA C 101 57.013 57.013 57.664 -0.651 25868 513 1 . 1 1 101 101 GLU CB C 101 30.399 30.399 30.182 0.217 25868 514 1 . 1 1 101 101 GLU H H 101 8.162 8.162 8.015 0.147 25868 515 1 . 1 1 102 102 GLN N N 102 118.194 118.194 118.826 -0.632 25868 516 1 . 1 1 102 102 GLN HA H 102 4.334 4.334 4.391 -0.057 25868 517 1 . 1 1 102 102 GLN C C 102 175.755 175.755 175.449 0.306 25868 518 1 . 1 1 102 102 GLN CA C 102 56.327 56.327 55.309 1.018 25868 519 1 . 1 1 102 102 GLN CB C 102 29.294 29.294 28.227 1.067 25868 520 1 . 1 1 102 102 GLN H H 102 8.094 8.094 7.767 0.327 25868 521 1 . 1 1 103 103 ASN N N 103 119.032 119.032 121.375 -2.343 25868 522 1 . 1 1 103 103 ASN HA H 103 4.790 4.790 4.656 0.134 25868 523 1 . 1 1 103 103 ASN C C 103 173.949 173.949 174.831 -0.882 25868 524 1 . 1 1 103 103 ASN CA C 103 53.029 53.029 53.576 -0.548 25868 525 1 . 1 1 103 103 ASN CB C 103 39.050 39.050 39.126 -0.076 25868 526 1 . 1 1 103 103 ASN H H 103 8.149 8.149 8.308 -0.159 25868 stop_ save_