data_25230 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25230 _Entry.PDB_ID 2MUR 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 25230 _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 HIS C C 2 177.389 177.389 174.247 3.142 25230 2 1 1 . 1 1 3 3 MET N N 3 122.082 122.082 120.503 1.579 25230 3 1 1 . 1 1 3 3 MET HA H 3 4.412 4.412 4.616 -0.204 25230 4 1 1 . 1 1 3 3 MET C C 3 176.544 176.544 176.280 0.264 25230 5 1 1 . 1 1 3 3 MET CA C 3 54.967 54.967 55.230 -0.263 25230 6 1 1 . 1 1 3 3 MET CB C 3 31.913 31.913 33.495 -1.582 25230 7 1 1 . 1 1 3 3 MET H H 3 8.448 8.448 7.742 0.706 25230 8 1 1 . 1 1 4 4 GLY N N 4 110.366 110.366 108.032 2.334 25230 9 1 1 . 1 1 4 4 GLY C C 4 173.781 173.781 173.238 0.543 25230 10 1 1 . 1 1 4 4 GLY CA C 4 44.584 44.584 44.958 -0.374 25230 11 1 1 . 1 1 4 4 GLY H H 4 8.459 8.459 8.577 -0.118 25230 12 1 1 . 1 1 5 5 ALA N N 5 124.049 124.049 122.008 2.041 25230 13 1 1 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.057 0.240 25230 14 1 1 . 1 1 5 5 ALA C C 5 177.465 177.465 175.573 1.892 25230 15 1 1 . 1 1 5 5 ALA CA C 5 51.884 51.884 52.646 -0.762 25230 16 1 1 . 1 1 5 5 ALA CB C 5 18.921 18.921 17.895 1.026 25230 17 1 1 . 1 1 5 5 ALA H H 5 8.253 8.253 8.408 -0.155 25230 18 1 1 . 1 1 6 6 ALA N N 6 123.132 123.132 117.720 5.412 25230 19 1 1 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.495 -0.214 25230 20 1 1 . 1 1 6 6 ALA C C 6 177.249 177.249 175.872 1.377 25230 21 1 1 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.940 -0.089 25230 22 1 1 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.160 -1.283 25230 23 1 1 . 1 1 6 6 ALA H H 6 8.322 8.322 7.401 0.921 25230 24 1 1 . 1 1 7 7 ALA N N 7 123.675 123.675 121.778 1.897 25230 25 1 1 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.439 -0.176 25230 26 1 1 . 1 1 7 7 ALA C C 7 177.348 177.348 177.452 -0.104 25230 27 1 1 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.286 -1.701 25230 28 1 1 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.214 -0.415 25230 29 1 1 . 1 1 7 7 ALA H H 7 8.231 8.231 8.738 -0.507 25230 30 1 1 . 1 1 8 8 LEU N N 8 121.187 121.187 113.160 8.027 25230 31 1 1 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.747 -0.358 25230 32 1 1 . 1 1 8 8 LEU C C 8 177.090 177.090 175.337 1.753 25230 33 1 1 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.330 0.204 25230 34 1 1 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.767 -1.035 25230 35 1 1 . 1 1 8 8 LEU H H 8 8.104 8.104 7.291 0.813 25230 36 1 1 . 1 1 9 9 ARG N N 9 121.721 121.721 120.202 1.519 25230 37 1 1 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.583 -0.097 25230 38 1 1 . 1 1 9 9 ARG C C 9 176.109 176.109 175.130 0.979 25230 39 1 1 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.977 -1.216 25230 40 1 1 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.881 -1.202 25230 41 1 1 . 1 1 9 9 ARG H H 9 8.797 8.797 8.734 0.063 25230 42 1 1 . 1 1 10 10 SER N N 10 112.067 112.067 114.120 -2.053 25230 43 1 1 . 1 1 10 10 SER HA H 10 4.265 4.265 4.337 -0.072 25230 44 1 1 . 1 1 10 10 SER C C 10 178.260 178.260 173.821 4.439 25230 45 1 1 . 1 1 10 10 SER CA C 10 55.374 55.374 57.053 -1.679 25230 46 1 1 . 1 1 10 10 SER CB C 10 64.945 64.945 65.524 -0.579 25230 47 1 1 . 1 1 10 10 SER H H 10 7.555 7.555 7.850 -0.295 25230 48 1 1 . 1 1 11 11 CYS N N 11 124.756 124.756 125.551 -0.795 25230 49 1 1 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.310 -0.112 25230 50 1 1 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.815 -1.933 25230 51 1 1 . 1 1 11 11 CYS CB C 11 30.802 30.802 26.782 4.020 25230 52 1 1 . 1 1 11 11 CYS H H 11 7.980 7.980 7.789 0.191 25230 53 1 1 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.254 0.035 25230 54 1 1 . 1 1 12 12 PRO C C 12 176.179 176.179 176.173 0.006 25230 55 1 1 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.734 -0.843 25230 56 1 1 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.540 0.259 25230 57 1 1 . 1 1 13 13 MET N N 13 119.495 119.495 117.970 1.525 25230 58 1 1 . 1 1 13 13 MET HA H 13 4.258 4.258 4.303 -0.045 25230 59 1 1 . 1 1 13 13 MET C C 13 176.255 176.255 176.953 -0.698 25230 60 1 1 . 1 1 13 13 MET CA C 13 57.472 57.472 57.095 0.377 25230 61 1 1 . 1 1 13 13 MET CB C 13 33.892 33.892 33.591 0.301 25230 62 1 1 . 1 1 13 13 MET H H 13 8.777 8.777 7.897 0.880 25230 63 1 1 . 1 1 14 14 CYS N N 14 118.342 118.342 115.453 2.889 25230 64 1 1 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.814 0.069 25230 65 1 1 . 1 1 14 14 CYS C C 14 176.154 176.154 174.763 1.391 25230 66 1 1 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.290 1.136 25230 67 1 1 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.175 3.019 25230 68 1 1 . 1 1 14 14 CYS H H 14 8.280 8.280 7.707 0.573 25230 69 1 1 . 1 1 15 15 GLN N N 15 115.275 115.275 118.969 -3.694 25230 70 1 1 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.828 0.063 25230 71 1 1 . 1 1 15 15 GLN C C 15 174.702 174.702 174.138 0.564 25230 72 1 1 . 1 1 15 15 GLN CA C 15 57.446 57.446 57.040 0.406 25230 73 1 1 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.166 -1.180 25230 74 1 1 . 1 1 15 15 GLN H H 15 7.680 7.680 8.120 -0.440 25230 75 1 1 . 1 1 16 16 LYS N N 16 123.016 123.016 120.515 2.501 25230 76 1 1 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.370 -0.485 25230 77 1 1 . 1 1 16 16 LYS C C 16 175.463 175.463 175.291 0.172 25230 78 1 1 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.813 2.010 25230 79 1 1 . 1 1 16 16 LYS CB C 16 32.909 32.909 34.393 -1.484 25230 80 1 1 . 1 1 16 16 LYS H H 16 8.187 8.187 7.311 0.876 25230 81 1 1 . 1 1 17 17 GLU N N 17 124.246 124.246 127.424 -3.178 25230 82 1 1 . 1 1 17 17 GLU HA H 17 3.852 3.852 4.028 -0.176 25230 83 1 1 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.441 -1.802 25230 84 1 1 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.366 0.756 25230 85 1 1 . 1 1 17 17 GLU H H 17 8.422 8.422 8.658 -0.236 25230 86 1 1 . 1 1 18 18 PHE N N 18 124.027 124.027 124.639 -0.612 25230 87 1 1 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.346 0.314 25230 88 1 1 . 1 1 18 18 PHE CA C 18 54.443 54.443 58.331 -3.888 25230 89 1 1 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.494 -1.825 25230 90 1 1 . 1 1 18 18 PHE H H 18 7.998 7.998 8.092 -0.094 25230 91 1 1 . 1 1 19 19 ALA N N 19 129.037 129.037 125.827 3.210 25230 92 1 1 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.395 0.119 25230 93 1 1 . 1 1 19 19 ALA C C 19 176.379 176.379 175.991 0.388 25230 94 1 1 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.185 -0.727 25230 95 1 1 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.049 -0.907 25230 96 1 1 . 1 1 19 19 ALA H H 19 8.304 8.304 8.487 -0.183 25230 97 1 1 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.465 -0.165 25230 98 1 1 . 1 1 20 20 PRO C C 20 176.955 176.955 176.280 0.675 25230 99 1 1 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.772 1.475 25230 100 1 1 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.737 -1.285 25230 101 1 1 . 1 1 21 21 ARG N N 21 111.617 111.617 112.602 -0.985 25230 102 1 1 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.995 0.168 25230 103 1 1 . 1 1 21 21 ARG C C 21 176.779 176.779 175.483 1.296 25230 104 1 1 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.159 -1.454 25230 105 1 1 . 1 1 21 21 ARG CB C 21 28.626 28.626 28.014 0.612 25230 106 1 1 . 1 1 21 21 ARG H H 21 7.599 7.599 8.516 -0.917 25230 107 1 1 . 1 1 22 22 LEU N N 22 121.114 121.114 115.304 5.810 25230 108 1 1 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.596 -0.277 25230 109 1 1 . 1 1 22 22 LEU C C 22 177.933 177.933 176.404 1.529 25230 110 1 1 . 1 1 22 22 LEU CA C 22 55.270 55.270 54.074 1.196 25230 111 1 1 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.839 -1.657 25230 112 1 1 . 1 1 22 22 LEU H H 22 7.512 7.512 7.734 -0.222 25230 113 1 1 . 1 1 23 23 THR N N 23 114.258 114.258 105.819 8.439 25230 114 1 1 . 1 1 23 23 THR HA H 23 4.360 4.360 4.566 -0.205 25230 115 1 1 . 1 1 23 23 THR C C 23 175.139 175.139 175.125 0.014 25230 116 1 1 . 1 1 23 23 THR CA C 23 59.968 59.968 59.316 0.652 25230 117 1 1 . 1 1 23 23 THR CB C 23 70.887 70.887 71.410 -0.523 25230 118 1 1 . 1 1 23 23 THR H H 23 9.058 9.058 7.773 1.285 25230 119 1 1 . 1 1 24 24 GLN N N 24 120.754 120.754 120.008 0.746 25230 120 1 1 . 1 1 24 24 GLN HA H 24 3.713 3.713 4.034 -0.321 25230 121 1 1 . 1 1 24 24 GLN C C 24 177.591 177.591 178.310 -0.719 25230 122 1 1 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.845 -1.561 25230 123 1 1 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.261 -0.055 25230 124 1 1 . 1 1 24 24 GLN H H 24 8.835 8.835 8.891 -0.056 25230 125 1 1 . 1 1 25 25 LEU N N 25 118.814 118.814 119.630 -0.816 25230 126 1 1 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.132 0.010 25230 127 1 1 . 1 1 25 25 LEU C C 25 178.984 178.984 178.046 0.938 25230 128 1 1 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.733 0.078 25230 129 1 1 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.655 -0.216 25230 130 1 1 . 1 1 25 25 LEU H H 25 7.899 7.899 8.042 -0.143 25230 131 1 1 . 1 1 26 26 ASP N N 26 120.208 120.208 119.948 0.260 25230 132 1 1 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.298 -0.087 25230 133 1 1 . 1 1 26 26 ASP C C 26 179.490 179.490 178.469 1.021 25230 134 1 1 . 1 1 26 26 ASP CA C 26 56.819 56.819 58.014 -1.195 25230 135 1 1 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.847 0.377 25230 136 1 1 . 1 1 26 26 ASP H H 26 7.553 7.553 7.424 0.129 25230 137 1 1 . 1 1 27 27 VAL N N 27 123.015 123.015 118.985 4.030 25230 138 1 1 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.696 0.111 25230 139 1 1 . 1 1 27 27 VAL C C 27 177.068 177.068 177.818 -0.750 25230 140 1 1 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.797 -0.412 25230 141 1 1 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.381 -0.441 25230 142 1 1 . 1 1 27 27 VAL H H 27 7.880 7.880 7.505 0.375 25230 143 1 1 . 1 1 28 28 ASP N N 28 120.893 120.893 119.561 1.332 25230 144 1 1 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.389 -0.353 25230 145 1 1 . 1 1 28 28 ASP C C 28 177.819 177.819 179.196 -1.377 25230 146 1 1 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.287 0.209 25230 147 1 1 . 1 1 28 28 ASP CB C 28 39.560 39.560 39.954 -0.394 25230 148 1 1 . 1 1 28 28 ASP H H 28 8.369 8.369 7.805 0.564 25230 149 1 1 . 1 1 29 29 SER N N 29 112.819 112.819 116.021 -3.202 25230 150 1 1 . 1 1 29 29 SER C C 29 177.067 177.067 176.672 0.395 25230 151 1 1 . 1 1 29 29 SER CB C 29 62.305 62.305 63.282 -0.977 25230 152 1 1 . 1 1 29 29 SER H H 29 7.894 7.894 8.387 -0.493 25230 153 1 1 . 1 1 30 30 HIS N N 30 120.983 120.983 121.758 -0.775 25230 154 1 1 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.499 -0.462 25230 155 1 1 . 1 1 30 30 HIS C C 30 177.079 177.079 177.691 -0.612 25230 156 1 1 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.294 0.847 25230 157 1 1 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.311 -3.225 25230 158 1 1 . 1 1 30 30 HIS H H 30 7.619 7.619 7.760 -0.141 25230 159 1 1 . 1 1 31 31 LEU N N 31 118.614 118.614 120.192 -1.578 25230 160 1 1 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.205 -0.477 25230 161 1 1 . 1 1 31 31 LEU C C 31 178.111 178.111 179.311 -1.200 25230 162 1 1 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.017 -0.486 25230 163 1 1 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.875 -0.212 25230 164 1 1 . 1 1 31 31 LEU H H 31 8.657 8.657 8.674 -0.017 25230 165 1 1 . 1 1 32 32 ALA N N 32 119.459 119.459 121.708 -2.249 25230 166 1 1 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.105 -0.338 25230 167 1 1 . 1 1 32 32 ALA C C 32 178.082 178.082 179.318 -1.236 25230 168 1 1 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.381 -0.780 25230 169 1 1 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.278 -0.424 25230 170 1 1 . 1 1 32 32 ALA H H 32 8.296 8.296 8.430 -0.134 25230 171 1 1 . 1 1 33 33 GLN N N 33 117.648 117.648 116.959 0.689 25230 172 1 1 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.016 -0.138 25230 173 1 1 . 1 1 33 33 GLN C C 33 178.653 178.653 177.696 0.957 25230 174 1 1 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.555 -0.078 25230 175 1 1 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.354 -0.731 25230 176 1 1 . 1 1 33 33 GLN H H 33 7.537 7.537 7.778 -0.241 25230 177 1 1 . 1 1 34 34 CYS N N 34 119.676 119.676 119.643 0.033 25230 178 1 1 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.233 -0.385 25230 179 1 1 . 1 1 34 34 CYS C C 34 178.744 178.744 176.862 1.882 25230 180 1 1 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.113 2.425 25230 181 1 1 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.248 0.505 25230 182 1 1 . 1 1 34 34 CYS H H 34 8.265 8.265 8.661 -0.396 25230 183 1 1 . 1 1 35 35 LEU N N 35 122.036 122.036 122.589 -0.553 25230 184 1 1 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.042 0.196 25230 185 1 1 . 1 1 35 35 LEU C C 35 179.090 179.090 178.426 0.664 25230 186 1 1 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.874 -0.852 25230 187 1 1 . 1 1 35 35 LEU CB C 35 41.168 41.168 42.070 -0.902 25230 188 1 1 . 1 1 35 35 LEU H H 35 8.764 8.764 7.969 0.795 25230 189 1 1 . 1 1 36 36 ALA N N 36 121.371 121.371 120.571 0.800 25230 190 1 1 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.026 -0.130 25230 191 1 1 . 1 1 36 36 ALA C C 36 179.254 179.254 178.867 0.387 25230 192 1 1 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.847 -0.607 25230 193 1 1 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.532 -0.013 25230 194 1 1 . 1 1 36 36 ALA H H 36 8.169 8.169 7.752 0.417 25230 195 1 1 . 1 1 37 37 GLU N N 37 114.105 114.105 117.773 -3.668 25230 196 1 1 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.259 -0.051 25230 197 1 1 . 1 1 37 37 GLU C C 37 176.714 176.714 177.514 -0.800 25230 198 1 1 . 1 1 37 37 GLU CA C 37 55.830 55.830 57.205 -1.375 25230 199 1 1 . 1 1 37 37 GLU CB C 37 29.922 29.922 29.785 0.137 25230 200 1 1 . 1 1 37 37 GLU H H 37 7.374 7.374 7.845 -0.471 25230 201 1 1 . 1 1 38 38 SER N N 38 115.555 115.555 114.955 0.600 25230 202 1 1 . 1 1 38 38 SER HA H 38 4.423 4.423 4.331 0.092 25230 203 1 1 . 1 1 38 38 SER C C 38 176.119 176.119 174.852 1.267 25230 204 1 1 . 1 1 38 38 SER CA C 38 58.229 58.229 58.947 -0.718 25230 205 1 1 . 1 1 38 38 SER CB C 38 63.245 63.245 64.432 -1.187 25230 206 1 1 . 1 1 38 38 SER H H 38 7.486 7.486 8.247 -0.761 25230 207 1 1 . 1 1 39 39 THR N N 39 120.165 120.165 110.411 9.754 25230 208 1 1 . 1 1 39 39 THR HA H 39 4.148 4.148 4.411 -0.263 25230 209 1 1 . 1 1 39 39 THR C C 39 174.936 174.936 174.784 0.152 25230 210 1 1 . 1 1 39 39 THR CA C 39 63.523 63.523 62.270 1.253 25230 211 1 1 . 1 1 39 39 THR CB C 39 68.170 68.170 69.445 -1.275 25230 212 1 1 . 1 1 39 39 THR H H 39 8.894 8.894 8.236 0.658 25230 213 1 1 . 1 1 40 40 GLU N N 40 119.436 119.436 122.763 -3.327 25230 214 1 1 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.555 -0.084 25230 215 1 1 . 1 1 40 40 GLU C C 40 175.888 175.888 175.453 0.435 25230 216 1 1 . 1 1 40 40 GLU CA C 40 54.035 54.035 56.106 -2.071 25230 217 1 1 . 1 1 40 40 GLU CB C 40 31.340 31.340 31.020 0.320 25230 218 1 1 . 1 1 40 40 GLU H H 40 7.962 7.962 8.151 -0.189 25230 219 1 1 . 1 1 41 41 ASP N N 41 122.486 122.486 125.775 -3.289 25230 220 1 1 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.827 -0.338 25230 221 1 1 . 1 1 41 41 ASP C C 41 175.466 175.466 175.989 -0.523 25230 222 1 1 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.164 -0.040 25230 223 1 1 . 1 1 41 41 ASP CB C 41 39.747 39.747 40.479 -0.732 25230 224 1 1 . 1 1 41 41 ASP H H 41 8.748 8.748 8.614 0.134 25230 225 1 1 . 1 1 42 42 VAL N N 42 120.843 120.843 119.120 1.723 25230 226 1 1 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.326 -0.019 25230 227 1 1 . 1 1 42 42 VAL C C 42 174.810 174.810 176.136 -1.326 25230 228 1 1 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.260 -0.152 25230 229 1 1 . 1 1 42 42 VAL CB C 42 34.251 34.251 32.813 1.438 25230 230 1 1 . 1 1 42 42 VAL H H 42 7.506 7.506 7.655 -0.149 25230 231 1 1 . 1 1 43 43 THR N N 43 117.225 117.225 122.098 -4.873 25230 232 1 1 . 1 1 43 43 THR HA H 43 4.310 4.310 4.513 -0.203 25230 233 1 1 . 1 1 43 43 THR C C 43 172.690 172.690 174.109 -1.419 25230 234 1 1 . 1 1 43 43 THR CA C 43 60.110 60.110 62.209 -2.099 25230 235 1 1 . 1 1 43 43 THR CB C 43 70.453 70.453 68.477 1.976 25230 236 1 1 . 1 1 43 43 THR H H 43 8.259 8.259 8.411 -0.152 25230 237 1 2 . 1 1 2 2 HIS C C 2 177.389 177.389 173.580 3.809 25230 238 1 2 . 1 1 3 3 MET N N 3 122.082 122.082 122.528 -0.446 25230 239 1 2 . 1 1 3 3 MET HA H 3 4.412 4.412 4.498 -0.086 25230 240 1 2 . 1 1 3 3 MET C C 3 176.544 176.544 176.153 0.391 25230 241 1 2 . 1 1 3 3 MET CA C 3 54.967 54.967 56.020 -1.053 25230 242 1 2 . 1 1 3 3 MET CB C 3 31.913 31.913 32.352 -0.439 25230 243 1 2 . 1 1 3 3 MET H H 3 8.448 8.448 8.575 -0.127 25230 244 1 2 . 1 1 4 4 GLY N N 4 110.366 110.366 111.917 -1.551 25230 245 1 2 . 1 1 4 4 GLY C C 4 173.781 173.781 173.183 0.598 25230 246 1 2 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.753 -1.169 25230 247 1 2 . 1 1 4 4 GLY H H 4 8.459 8.459 8.684 -0.225 25230 248 1 2 . 1 1 5 5 ALA N N 5 124.049 124.049 121.674 2.375 25230 249 1 2 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.540 -0.243 25230 250 1 2 . 1 1 5 5 ALA C C 5 177.465 177.465 175.067 2.398 25230 251 1 2 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.219 0.665 25230 252 1 2 . 1 1 5 5 ALA CB C 5 18.921 18.921 19.258 -0.337 25230 253 1 2 . 1 1 5 5 ALA H H 5 8.253 8.253 8.198 0.055 25230 254 1 2 . 1 1 6 6 ALA N N 6 123.132 123.132 121.580 1.552 25230 255 1 2 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.595 -0.314 25230 256 1 2 . 1 1 6 6 ALA C C 6 177.249 177.249 175.933 1.316 25230 257 1 2 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.900 -0.049 25230 258 1 2 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.060 -1.183 25230 259 1 2 . 1 1 6 6 ALA H H 6 8.322 8.322 7.576 0.746 25230 260 1 2 . 1 1 7 7 ALA N N 7 123.675 123.675 121.044 2.631 25230 261 1 2 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.536 -0.273 25230 262 1 2 . 1 1 7 7 ALA C C 7 177.348 177.348 177.190 0.158 25230 263 1 2 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.045 -1.460 25230 264 1 2 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.518 -0.719 25230 265 1 2 . 1 1 7 7 ALA H H 7 8.231 8.231 8.426 -0.195 25230 266 1 2 . 1 1 8 8 LEU N N 8 121.187 121.187 116.308 4.879 25230 267 1 2 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.723 -0.334 25230 268 1 2 . 1 1 8 8 LEU C C 8 177.090 177.090 175.938 1.152 25230 269 1 2 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.429 0.105 25230 270 1 2 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.742 -1.010 25230 271 1 2 . 1 1 8 8 LEU H H 8 8.104 8.104 7.415 0.689 25230 272 1 2 . 1 1 9 9 ARG N N 9 121.721 121.721 118.350 3.371 25230 273 1 2 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.664 -0.178 25230 274 1 2 . 1 1 9 9 ARG C C 9 176.109 176.109 174.914 1.195 25230 275 1 2 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.012 -0.251 25230 276 1 2 . 1 1 9 9 ARG CB C 9 30.679 30.679 30.922 -0.243 25230 277 1 2 . 1 1 9 9 ARG H H 9 8.797 8.797 8.622 0.175 25230 278 1 2 . 1 1 10 10 SER N N 10 112.067 112.067 114.749 -2.682 25230 279 1 2 . 1 1 10 10 SER HA H 10 4.265 4.265 4.193 0.072 25230 280 1 2 . 1 1 10 10 SER C C 10 178.260 178.260 173.557 4.703 25230 281 1 2 . 1 1 10 10 SER CA C 10 55.374 55.374 57.166 -1.792 25230 282 1 2 . 1 1 10 10 SER CB C 10 64.945 64.945 65.416 -0.471 25230 283 1 2 . 1 1 10 10 SER H H 10 7.555 7.555 7.639 -0.084 25230 284 1 2 . 1 1 11 11 CYS N N 11 124.756 124.756 125.435 -0.679 25230 285 1 2 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.285 -0.087 25230 286 1 2 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.340 -1.459 25230 287 1 2 . 1 1 11 11 CYS CB C 11 30.802 30.802 26.925 3.877 25230 288 1 2 . 1 1 11 11 CYS H H 11 7.980 7.980 7.531 0.449 25230 289 1 2 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.197 0.092 25230 290 1 2 . 1 1 12 12 PRO C C 12 176.179 176.179 176.340 -0.161 25230 291 1 2 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.354 -0.463 25230 292 1 2 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.373 0.426 25230 293 1 2 . 1 1 13 13 MET N N 13 119.495 119.495 118.225 1.270 25230 294 1 2 . 1 1 13 13 MET HA H 13 4.258 4.258 4.415 -0.157 25230 295 1 2 . 1 1 13 13 MET C C 13 176.255 176.255 176.686 -0.431 25230 296 1 2 . 1 1 13 13 MET CA C 13 57.472 57.472 57.394 0.078 25230 297 1 2 . 1 1 13 13 MET CB C 13 33.892 33.892 33.819 0.073 25230 298 1 2 . 1 1 13 13 MET H H 13 8.777 8.777 7.785 0.992 25230 299 1 2 . 1 1 14 14 CYS N N 14 118.342 118.342 115.659 2.683 25230 300 1 2 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.731 0.152 25230 301 1 2 . 1 1 14 14 CYS C C 14 176.154 176.154 174.591 1.563 25230 302 1 2 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.128 1.298 25230 303 1 2 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.237 2.957 25230 304 1 2 . 1 1 14 14 CYS H H 14 8.280 8.280 7.765 0.515 25230 305 1 2 . 1 1 15 15 GLN N N 15 115.275 115.275 119.944 -4.669 25230 306 1 2 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.840 0.051 25230 307 1 2 . 1 1 15 15 GLN C C 15 174.702 174.702 174.049 0.653 25230 308 1 2 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.683 0.763 25230 309 1 2 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.591 -1.605 25230 310 1 2 . 1 1 15 15 GLN H H 15 7.680 7.680 8.085 -0.405 25230 311 1 2 . 1 1 16 16 LYS N N 16 123.016 123.016 121.405 1.611 25230 312 1 2 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.386 -0.501 25230 313 1 2 . 1 1 16 16 LYS C C 16 175.463 175.463 175.449 0.014 25230 314 1 2 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.882 1.941 25230 315 1 2 . 1 1 16 16 LYS CB C 16 32.909 32.909 33.940 -1.031 25230 316 1 2 . 1 1 16 16 LYS H H 16 8.187 8.187 7.392 0.795 25230 317 1 2 . 1 1 17 17 GLU N N 17 124.246 124.246 128.043 -3.797 25230 318 1 2 . 1 1 17 17 GLU HA H 17 3.852 3.852 4.002 -0.150 25230 319 1 2 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.270 -1.633 25230 320 1 2 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.191 0.931 25230 321 1 2 . 1 1 17 17 GLU H H 17 8.422 8.422 8.646 -0.224 25230 322 1 2 . 1 1 18 18 PHE N N 18 124.027 124.027 124.473 -0.446 25230 323 1 2 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.297 0.363 25230 324 1 2 . 1 1 18 18 PHE CA C 18 54.443 54.443 57.972 -3.529 25230 325 1 2 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.266 -1.597 25230 326 1 2 . 1 1 18 18 PHE H H 18 7.998 7.998 7.621 0.377 25230 327 1 2 . 1 1 19 19 ALA N N 19 129.037 129.037 125.470 3.567 25230 328 1 2 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.359 0.155 25230 329 1 2 . 1 1 19 19 ALA C C 19 176.379 176.379 175.873 0.506 25230 330 1 2 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.277 -0.818 25230 331 1 2 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.026 -0.885 25230 332 1 2 . 1 1 19 19 ALA H H 19 8.304 8.304 8.578 -0.274 25230 333 1 2 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.445 -0.145 25230 334 1 2 . 1 1 20 20 PRO C C 20 176.955 176.955 176.260 0.695 25230 335 1 2 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.768 1.479 25230 336 1 2 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.721 -1.269 25230 337 1 2 . 1 1 21 21 ARG N N 21 111.617 111.617 112.686 -1.069 25230 338 1 2 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.945 0.218 25230 339 1 2 . 1 1 21 21 ARG C C 21 176.779 176.779 175.390 1.389 25230 340 1 2 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.069 -1.364 25230 341 1 2 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.843 0.783 25230 342 1 2 . 1 1 21 21 ARG H H 21 7.599 7.599 8.492 -0.893 25230 343 1 2 . 1 1 22 22 LEU N N 22 121.114 121.114 115.454 5.660 25230 344 1 2 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.572 -0.253 25230 345 1 2 . 1 1 22 22 LEU C C 22 177.933 177.933 176.285 1.648 25230 346 1 2 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.687 1.583 25230 347 1 2 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.727 -1.545 25230 348 1 2 . 1 1 22 22 LEU H H 22 7.512 7.512 7.732 -0.220 25230 349 1 2 . 1 1 23 23 THR N N 23 114.258 114.258 105.709 8.549 25230 350 1 2 . 1 1 23 23 THR HA H 23 4.360 4.360 4.591 -0.231 25230 351 1 2 . 1 1 23 23 THR C C 23 175.139 175.139 175.732 -0.593 25230 352 1 2 . 1 1 23 23 THR CA C 23 59.968 59.968 59.408 0.560 25230 353 1 2 . 1 1 23 23 THR CB C 23 70.887 70.887 71.562 -0.675 25230 354 1 2 . 1 1 23 23 THR H H 23 9.058 9.058 7.629 1.429 25230 355 1 2 . 1 1 24 24 GLN N N 24 120.754 120.754 121.091 -0.337 25230 356 1 2 . 1 1 24 24 GLN HA H 24 3.713 3.713 3.915 -0.202 25230 357 1 2 . 1 1 24 24 GLN C C 24 177.591 177.591 178.304 -0.713 25230 358 1 2 . 1 1 24 24 GLN CA C 24 58.284 58.284 60.217 -1.933 25230 359 1 2 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.678 -0.472 25230 360 1 2 . 1 1 24 24 GLN H H 24 8.835 8.835 8.997 -0.162 25230 361 1 2 . 1 1 25 25 LEU N N 25 118.814 118.814 118.199 0.615 25230 362 1 2 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.171 -0.029 25230 363 1 2 . 1 1 25 25 LEU C C 25 178.984 178.984 178.249 0.735 25230 364 1 2 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.501 0.310 25230 365 1 2 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.419 0.020 25230 366 1 2 . 1 1 25 25 LEU H H 25 7.899 7.899 7.986 -0.087 25230 367 1 2 . 1 1 26 26 ASP N N 26 120.208 120.208 120.014 0.194 25230 368 1 2 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.271 -0.060 25230 369 1 2 . 1 1 26 26 ASP C C 26 179.490 179.490 178.179 1.311 25230 370 1 2 . 1 1 26 26 ASP CA C 26 56.819 56.819 58.282 -1.463 25230 371 1 2 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.730 0.494 25230 372 1 2 . 1 1 26 26 ASP H H 26 7.553 7.553 7.746 -0.193 25230 373 1 2 . 1 1 27 27 VAL N N 27 123.015 123.015 117.641 5.374 25230 374 1 2 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.583 0.224 25230 375 1 2 . 1 1 27 27 VAL C C 27 177.068 177.068 177.611 -0.543 25230 376 1 2 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.382 0.003 25230 377 1 2 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.083 -0.143 25230 378 1 2 . 1 1 27 27 VAL H H 27 7.880 7.880 7.441 0.439 25230 379 1 2 . 1 1 28 28 ASP N N 28 120.893 120.893 120.159 0.734 25230 380 1 2 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.497 -0.461 25230 381 1 2 . 1 1 28 28 ASP C C 28 177.819 177.819 178.964 -1.145 25230 382 1 2 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.196 0.300 25230 383 1 2 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.183 -0.623 25230 384 1 2 . 1 1 28 28 ASP H H 28 8.369 8.369 7.721 0.648 25230 385 1 2 . 1 1 29 29 SER N N 29 112.819 112.819 116.491 -3.672 25230 386 1 2 . 1 1 29 29 SER C C 29 177.067 177.067 176.174 0.893 25230 387 1 2 . 1 1 29 29 SER CB C 29 62.305 62.305 63.271 -0.966 25230 388 1 2 . 1 1 29 29 SER H H 29 7.894 7.894 8.229 -0.335 25230 389 1 2 . 1 1 30 30 HIS N N 30 120.983 120.983 121.105 -0.122 25230 390 1 2 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.423 -0.386 25230 391 1 2 . 1 1 30 30 HIS C C 30 177.079 177.079 177.359 -0.280 25230 392 1 2 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.242 0.899 25230 393 1 2 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.184 -3.098 25230 394 1 2 . 1 1 30 30 HIS H H 30 7.619 7.619 7.609 0.010 25230 395 1 2 . 1 1 31 31 LEU N N 31 118.614 118.614 120.031 -1.417 25230 396 1 2 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.175 -0.447 25230 397 1 2 . 1 1 31 31 LEU C C 31 178.111 178.111 179.174 -1.063 25230 398 1 2 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.002 -0.471 25230 399 1 2 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.848 -0.185 25230 400 1 2 . 1 1 31 31 LEU H H 31 8.657 8.657 8.183 0.474 25230 401 1 2 . 1 1 32 32 ALA N N 32 119.459 119.459 120.868 -1.409 25230 402 1 2 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.096 -0.329 25230 403 1 2 . 1 1 32 32 ALA C C 32 178.082 178.082 179.645 -1.563 25230 404 1 2 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.366 -0.765 25230 405 1 2 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.183 -0.329 25230 406 1 2 . 1 1 32 32 ALA H H 32 8.296 8.296 8.176 0.120 25230 407 1 2 . 1 1 33 33 GLN N N 33 117.648 117.648 118.126 -0.478 25230 408 1 2 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.031 -0.153 25230 409 1 2 . 1 1 33 33 GLN C C 33 178.653 178.653 177.988 0.665 25230 410 1 2 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.605 -0.128 25230 411 1 2 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.364 -0.741 25230 412 1 2 . 1 1 33 33 GLN H H 33 7.537 7.537 7.658 -0.121 25230 413 1 2 . 1 1 34 34 CYS N N 34 119.676 119.676 119.698 -0.022 25230 414 1 2 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.118 -0.270 25230 415 1 2 . 1 1 34 34 CYS C C 34 178.744 178.744 177.306 1.438 25230 416 1 2 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.506 2.032 25230 417 1 2 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.477 0.276 25230 418 1 2 . 1 1 34 34 CYS H H 34 8.265 8.265 8.618 -0.353 25230 419 1 2 . 1 1 35 35 LEU N N 35 122.036 122.036 120.216 1.820 25230 420 1 2 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.009 0.229 25230 421 1 2 . 1 1 35 35 LEU C C 35 179.090 179.090 179.573 -0.483 25230 422 1 2 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.913 -0.891 25230 423 1 2 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.841 -0.673 25230 424 1 2 . 1 1 35 35 LEU H H 35 8.764 8.764 7.725 1.039 25230 425 1 2 . 1 1 36 36 ALA N N 36 121.371 121.371 119.840 1.531 25230 426 1 2 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.071 -0.175 25230 427 1 2 . 1 1 36 36 ALA C C 36 179.254 179.254 178.946 0.308 25230 428 1 2 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.624 -0.384 25230 429 1 2 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.524 -0.006 25230 430 1 2 . 1 1 36 36 ALA H H 36 8.169 8.169 7.967 0.202 25230 431 1 2 . 1 1 37 37 GLU N N 37 114.105 114.105 117.280 -3.175 25230 432 1 2 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.383 -0.175 25230 433 1 2 . 1 1 37 37 GLU C C 37 176.714 176.714 177.158 -0.444 25230 434 1 2 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.744 -0.914 25230 435 1 2 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.555 -0.633 25230 436 1 2 . 1 1 37 37 GLU H H 37 7.374 7.374 8.140 -0.766 25230 437 1 2 . 1 1 38 38 SER N N 38 115.555 115.555 113.347 2.208 25230 438 1 2 . 1 1 38 38 SER HA H 38 4.423 4.423 4.602 -0.179 25230 439 1 2 . 1 1 38 38 SER C C 38 176.119 176.119 174.112 2.007 25230 440 1 2 . 1 1 38 38 SER CA C 38 58.229 58.229 56.798 1.431 25230 441 1 2 . 1 1 38 38 SER CB C 38 63.245 63.245 64.245 -1.000 25230 442 1 2 . 1 1 38 38 SER H H 38 7.486 7.486 7.864 -0.378 25230 443 1 2 . 1 1 39 39 THR N N 39 120.165 120.165 115.368 4.797 25230 444 1 2 . 1 1 39 39 THR HA H 39 4.148 4.148 4.643 -0.495 25230 445 1 2 . 1 1 39 39 THR C C 39 174.936 174.936 175.145 -0.209 25230 446 1 2 . 1 1 39 39 THR CA C 39 63.523 63.523 61.960 1.563 25230 447 1 2 . 1 1 39 39 THR CB C 39 68.170 68.170 68.747 -0.577 25230 448 1 2 . 1 1 39 39 THR H H 39 8.894 8.894 8.374 0.520 25230 449 1 2 . 1 1 40 40 GLU N N 40 119.436 119.436 121.633 -2.197 25230 450 1 2 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.225 0.246 25230 451 1 2 . 1 1 40 40 GLU C C 40 175.888 175.888 175.732 0.156 25230 452 1 2 . 1 1 40 40 GLU CA C 40 54.035 54.035 57.422 -3.387 25230 453 1 2 . 1 1 40 40 GLU CB C 40 31.340 31.340 29.884 1.456 25230 454 1 2 . 1 1 40 40 GLU H H 40 7.962 7.962 7.806 0.156 25230 455 1 2 . 1 1 41 41 ASP N N 41 122.486 122.486 116.978 5.508 25230 456 1 2 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.431 0.058 25230 457 1 2 . 1 1 41 41 ASP C C 41 175.466 175.466 174.625 0.841 25230 458 1 2 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.439 -0.315 25230 459 1 2 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.706 0.041 25230 460 1 2 . 1 1 41 41 ASP H H 41 8.748 8.748 8.449 0.299 25230 461 1 2 . 1 1 42 42 VAL N N 42 120.843 120.843 117.764 3.079 25230 462 1 2 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.127 0.180 25230 463 1 2 . 1 1 42 42 VAL C C 42 174.810 174.810 176.551 -1.741 25230 464 1 2 . 1 1 42 42 VAL CA C 42 61.108 61.108 63.026 -1.917 25230 465 1 2 . 1 1 42 42 VAL CB C 42 34.251 34.251 32.322 1.929 25230 466 1 2 . 1 1 42 42 VAL H H 42 7.506 7.506 8.115 -0.609 25230 467 1 2 . 1 1 43 43 THR N N 43 117.225 117.225 120.014 -2.789 25230 468 1 2 . 1 1 43 43 THR HA H 43 4.310 4.310 4.479 -0.169 25230 469 1 2 . 1 1 43 43 THR C C 43 172.690 172.690 173.767 -1.077 25230 470 1 2 . 1 1 43 43 THR CA C 43 60.110 60.110 61.619 -1.509 25230 471 1 2 . 1 1 43 43 THR CB C 43 70.453 70.453 69.925 0.528 25230 472 1 2 . 1 1 43 43 THR H H 43 8.259 8.259 8.220 0.039 25230 473 1 3 . 1 1 2 2 HIS C C 2 177.389 177.389 174.400 2.989 25230 474 1 3 . 1 1 3 3 MET N N 3 122.082 122.082 118.691 3.391 25230 475 1 3 . 1 1 3 3 MET HA H 3 4.412 4.412 4.932 -0.520 25230 476 1 3 . 1 1 3 3 MET C C 3 176.544 176.544 175.529 1.015 25230 477 1 3 . 1 1 3 3 MET CA C 3 54.967 54.967 55.204 -0.237 25230 478 1 3 . 1 1 3 3 MET CB C 3 31.913 31.913 34.501 -2.588 25230 479 1 3 . 1 1 3 3 MET H H 3 8.448 8.448 8.394 0.054 25230 480 1 3 . 1 1 4 4 GLY N N 4 110.366 110.366 108.904 1.462 25230 481 1 3 . 1 1 4 4 GLY C C 4 173.781 173.781 173.913 -0.132 25230 482 1 3 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.422 -0.838 25230 483 1 3 . 1 1 4 4 GLY H H 4 8.459 8.459 8.631 -0.172 25230 484 1 3 . 1 1 5 5 ALA N N 5 124.049 124.049 121.522 2.527 25230 485 1 3 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.424 -0.127 25230 486 1 3 . 1 1 5 5 ALA C C 5 177.465 177.465 175.512 1.953 25230 487 1 3 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.425 0.459 25230 488 1 3 . 1 1 5 5 ALA CB C 5 18.921 18.921 19.308 -0.387 25230 489 1 3 . 1 1 5 5 ALA H H 5 8.253 8.253 8.356 -0.103 25230 490 1 3 . 1 1 6 6 ALA N N 6 123.132 123.132 120.597 2.535 25230 491 1 3 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.829 -0.548 25230 492 1 3 . 1 1 6 6 ALA C C 6 177.249 177.249 176.177 1.072 25230 493 1 3 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.754 0.097 25230 494 1 3 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.149 -1.272 25230 495 1 3 . 1 1 6 6 ALA H H 6 8.322 8.322 7.314 1.008 25230 496 1 3 . 1 1 7 7 ALA N N 7 123.675 123.675 120.522 3.153 25230 497 1 3 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.507 -0.244 25230 498 1 3 . 1 1 7 7 ALA C C 7 177.348 177.348 177.631 -0.283 25230 499 1 3 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.243 -1.659 25230 500 1 3 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.268 -0.469 25230 501 1 3 . 1 1 7 7 ALA H H 7 8.231 8.231 8.626 -0.395 25230 502 1 3 . 1 1 8 8 LEU N N 8 121.187 121.187 113.184 8.003 25230 503 1 3 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.820 -0.431 25230 504 1 3 . 1 1 8 8 LEU C C 8 177.090 177.090 175.455 1.635 25230 505 1 3 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.258 0.276 25230 506 1 3 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.720 -0.988 25230 507 1 3 . 1 1 8 8 LEU H H 8 8.104 8.104 7.393 0.711 25230 508 1 3 . 1 1 9 9 ARG N N 9 121.721 121.721 118.546 3.175 25230 509 1 3 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.664 -0.178 25230 510 1 3 . 1 1 9 9 ARG C C 9 176.109 176.109 175.288 0.821 25230 511 1 3 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.410 -0.649 25230 512 1 3 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.609 -0.930 25230 513 1 3 . 1 1 9 9 ARG H H 9 8.797 8.797 8.729 0.068 25230 514 1 3 . 1 1 10 10 SER N N 10 112.067 112.067 113.681 -1.614 25230 515 1 3 . 1 1 10 10 SER HA H 10 4.265 4.265 4.384 -0.119 25230 516 1 3 . 1 1 10 10 SER C C 10 178.260 178.260 173.854 4.406 25230 517 1 3 . 1 1 10 10 SER CA C 10 55.374 55.374 56.822 -1.448 25230 518 1 3 . 1 1 10 10 SER CB C 10 64.945 64.945 65.530 -0.585 25230 519 1 3 . 1 1 10 10 SER H H 10 7.555 7.555 7.778 -0.223 25230 520 1 3 . 1 1 11 11 CYS N N 11 124.756 124.756 125.455 -0.699 25230 521 1 3 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.367 -0.169 25230 522 1 3 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.507 -1.626 25230 523 1 3 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.106 3.696 25230 524 1 3 . 1 1 11 11 CYS H H 11 7.980 7.980 7.737 0.243 25230 525 1 3 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.249 0.040 25230 526 1 3 . 1 1 12 12 PRO C C 12 176.179 176.179 176.230 -0.051 25230 527 1 3 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.665 -0.774 25230 528 1 3 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.518 0.281 25230 529 1 3 . 1 1 13 13 MET N N 13 119.495 119.495 117.616 1.879 25230 530 1 3 . 1 1 13 13 MET HA H 13 4.258 4.258 4.248 0.010 25230 531 1 3 . 1 1 13 13 MET C C 13 176.255 176.255 176.820 -0.565 25230 532 1 3 . 1 1 13 13 MET CA C 13 57.472 57.472 57.529 -0.057 25230 533 1 3 . 1 1 13 13 MET CB C 13 33.892 33.892 33.553 0.338 25230 534 1 3 . 1 1 13 13 MET H H 13 8.777 8.777 7.758 1.019 25230 535 1 3 . 1 1 14 14 CYS N N 14 118.342 118.342 115.626 2.716 25230 536 1 3 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.807 0.076 25230 537 1 3 . 1 1 14 14 CYS C C 14 176.154 176.154 174.739 1.415 25230 538 1 3 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.080 1.346 25230 539 1 3 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.202 2.992 25230 540 1 3 . 1 1 14 14 CYS H H 14 8.280 8.280 7.770 0.510 25230 541 1 3 . 1 1 15 15 GLN N N 15 115.275 115.275 119.143 -3.868 25230 542 1 3 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.835 0.056 25230 543 1 3 . 1 1 15 15 GLN C C 15 174.702 174.702 174.178 0.524 25230 544 1 3 . 1 1 15 15 GLN CA C 15 57.446 57.446 57.039 0.407 25230 545 1 3 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.309 -1.323 25230 546 1 3 . 1 1 15 15 GLN H H 15 7.680 7.680 8.106 -0.426 25230 547 1 3 . 1 1 16 16 LYS N N 16 123.016 123.016 121.091 1.925 25230 548 1 3 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.353 -0.468 25230 549 1 3 . 1 1 16 16 LYS C C 16 175.463 175.463 175.382 0.081 25230 550 1 3 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.845 1.978 25230 551 1 3 . 1 1 16 16 LYS CB C 16 32.909 32.909 34.114 -1.205 25230 552 1 3 . 1 1 16 16 LYS H H 16 8.187 8.187 7.394 0.793 25230 553 1 3 . 1 1 17 17 GLU N N 17 124.246 124.246 127.833 -3.587 25230 554 1 3 . 1 1 17 17 GLU HA H 17 3.852 3.852 4.018 -0.166 25230 555 1 3 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.278 -1.640 25230 556 1 3 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.335 0.787 25230 557 1 3 . 1 1 17 17 GLU H H 17 8.422 8.422 8.646 -0.224 25230 558 1 3 . 1 1 18 18 PHE N N 18 124.027 124.027 124.398 -0.371 25230 559 1 3 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.353 0.307 25230 560 1 3 . 1 1 18 18 PHE CA C 18 54.443 54.443 58.016 -3.573 25230 561 1 3 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.578 -1.909 25230 562 1 3 . 1 1 18 18 PHE H H 18 7.998 7.998 7.872 0.126 25230 563 1 3 . 1 1 19 19 ALA N N 19 129.037 129.037 125.714 3.323 25230 564 1 3 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.387 0.127 25230 565 1 3 . 1 1 19 19 ALA C C 19 176.379 176.379 176.052 0.327 25230 566 1 3 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.118 -0.659 25230 567 1 3 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.107 -0.965 25230 568 1 3 . 1 1 19 19 ALA H H 19 8.304 8.304 8.393 -0.089 25230 569 1 3 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.367 -0.067 25230 570 1 3 . 1 1 20 20 PRO C C 20 176.955 176.955 176.679 0.276 25230 571 1 3 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.965 1.282 25230 572 1 3 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.438 -0.987 25230 573 1 3 . 1 1 21 21 ARG N N 21 111.617 111.617 115.331 -3.714 25230 574 1 3 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.926 0.237 25230 575 1 3 . 1 1 21 21 ARG C C 21 176.779 176.779 175.024 1.755 25230 576 1 3 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.265 -1.560 25230 577 1 3 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.445 1.181 25230 578 1 3 . 1 1 21 21 ARG H H 21 7.599 7.599 8.391 -0.792 25230 579 1 3 . 1 1 22 22 LEU N N 22 121.114 121.114 115.791 5.323 25230 580 1 3 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.593 -0.274 25230 581 1 3 . 1 1 22 22 LEU C C 22 177.933 177.933 176.374 1.559 25230 582 1 3 . 1 1 22 22 LEU CA C 22 55.270 55.270 54.114 1.156 25230 583 1 3 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.708 -1.526 25230 584 1 3 . 1 1 22 22 LEU H H 22 7.512 7.512 7.710 -0.198 25230 585 1 3 . 1 1 23 23 THR N N 23 114.258 114.258 105.542 8.716 25230 586 1 3 . 1 1 23 23 THR HA H 23 4.360 4.360 4.565 -0.205 25230 587 1 3 . 1 1 23 23 THR C C 23 175.139 175.139 175.344 -0.205 25230 588 1 3 . 1 1 23 23 THR CA C 23 59.968 59.968 59.616 0.352 25230 589 1 3 . 1 1 23 23 THR CB C 23 70.887 70.887 71.684 -0.798 25230 590 1 3 . 1 1 23 23 THR H H 23 9.058 9.058 7.690 1.368 25230 591 1 3 . 1 1 24 24 GLN N N 24 120.754 120.754 122.211 -1.457 25230 592 1 3 . 1 1 24 24 GLN HA H 24 3.713 3.713 3.931 -0.218 25230 593 1 3 . 1 1 24 24 GLN C C 24 177.591 177.591 177.007 0.584 25230 594 1 3 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.791 -1.507 25230 595 1 3 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.109 0.097 25230 596 1 3 . 1 1 24 24 GLN H H 24 8.835 8.835 8.991 -0.156 25230 597 1 3 . 1 1 25 25 LEU N N 25 118.814 118.814 118.381 0.433 25230 598 1 3 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.101 0.041 25230 599 1 3 . 1 1 25 25 LEU C C 25 178.984 178.984 178.109 0.875 25230 600 1 3 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.843 -0.032 25230 601 1 3 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.645 -0.206 25230 602 1 3 . 1 1 25 25 LEU H H 25 7.899 7.899 7.881 0.018 25230 603 1 3 . 1 1 26 26 ASP N N 26 120.208 120.208 119.848 0.360 25230 604 1 3 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.313 -0.102 25230 605 1 3 . 1 1 26 26 ASP C C 26 179.490 179.490 178.742 0.748 25230 606 1 3 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.476 -0.657 25230 607 1 3 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.674 0.550 25230 608 1 3 . 1 1 26 26 ASP H H 26 7.553 7.553 7.519 0.034 25230 609 1 3 . 1 1 27 27 VAL N N 27 123.015 123.015 118.923 4.092 25230 610 1 3 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.812 -0.005 25230 611 1 3 . 1 1 27 27 VAL C C 27 177.068 177.068 177.692 -0.624 25230 612 1 3 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.432 -0.047 25230 613 1 3 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.264 -0.324 25230 614 1 3 . 1 1 27 27 VAL H H 27 7.880 7.880 7.493 0.387 25230 615 1 3 . 1 1 28 28 ASP N N 28 120.893 120.893 120.988 -0.095 25230 616 1 3 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.351 -0.315 25230 617 1 3 . 1 1 28 28 ASP C C 28 177.819 177.819 179.116 -1.297 25230 618 1 3 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.535 -0.039 25230 619 1 3 . 1 1 28 28 ASP CB C 28 39.560 39.560 39.833 -0.273 25230 620 1 3 . 1 1 28 28 ASP H H 28 8.369 8.369 8.191 0.178 25230 621 1 3 . 1 1 29 29 SER N N 29 112.819 112.819 114.599 -1.780 25230 622 1 3 . 1 1 29 29 SER C C 29 177.067 177.067 176.460 0.607 25230 623 1 3 . 1 1 29 29 SER CB C 29 62.305 62.305 63.077 -0.772 25230 624 1 3 . 1 1 29 29 SER H H 29 7.894 7.894 8.587 -0.693 25230 625 1 3 . 1 1 30 30 HIS N N 30 120.983 120.983 122.066 -1.083 25230 626 1 3 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.633 -0.596 25230 627 1 3 . 1 1 30 30 HIS C C 30 177.079 177.079 177.767 -0.688 25230 628 1 3 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.056 1.085 25230 629 1 3 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.000 -2.914 25230 630 1 3 . 1 1 30 30 HIS H H 30 7.619 7.619 7.501 0.118 25230 631 1 3 . 1 1 31 31 LEU N N 31 118.614 118.614 119.695 -1.081 25230 632 1 3 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.165 -0.437 25230 633 1 3 . 1 1 31 31 LEU C C 31 178.111 178.111 179.404 -1.293 25230 634 1 3 . 1 1 31 31 LEU CA C 31 57.531 57.531 57.972 -0.441 25230 635 1 3 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.769 -0.106 25230 636 1 3 . 1 1 31 31 LEU H H 31 8.657 8.657 8.790 -0.133 25230 637 1 3 . 1 1 32 32 ALA N N 32 119.459 119.459 121.649 -2.190 25230 638 1 3 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.105 -0.338 25230 639 1 3 . 1 1 32 32 ALA C C 32 178.082 178.082 179.264 -1.182 25230 640 1 3 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.294 -0.692 25230 641 1 3 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.234 -0.380 25230 642 1 3 . 1 1 32 32 ALA H H 32 8.296 8.296 8.206 0.090 25230 643 1 3 . 1 1 33 33 GLN N N 33 117.648 117.648 117.444 0.204 25230 644 1 3 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.055 -0.177 25230 645 1 3 . 1 1 33 33 GLN C C 33 178.653 178.653 178.152 0.501 25230 646 1 3 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.467 0.010 25230 647 1 3 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.571 -0.948 25230 648 1 3 . 1 1 33 33 GLN H H 33 7.537 7.537 7.741 -0.204 25230 649 1 3 . 1 1 34 34 CYS N N 34 119.676 119.676 119.269 0.407 25230 650 1 3 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.230 -0.382 25230 651 1 3 . 1 1 34 34 CYS C C 34 178.744 178.744 176.981 1.763 25230 652 1 3 . 1 1 34 34 CYS CA C 34 65.538 65.538 62.631 2.907 25230 653 1 3 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.286 0.467 25230 654 1 3 . 1 1 34 34 CYS H H 34 8.265 8.265 8.680 -0.415 25230 655 1 3 . 1 1 35 35 LEU N N 35 122.036 122.036 122.603 -0.567 25230 656 1 3 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.223 0.015 25230 657 1 3 . 1 1 35 35 LEU C C 35 179.090 179.090 179.541 -0.451 25230 658 1 3 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.939 -0.917 25230 659 1 3 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.814 -0.646 25230 660 1 3 . 1 1 35 35 LEU H H 35 8.764 8.764 7.689 1.075 25230 661 1 3 . 1 1 36 36 ALA N N 36 121.371 121.371 120.653 0.718 25230 662 1 3 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.046 -0.150 25230 663 1 3 . 1 1 36 36 ALA C C 36 179.254 179.254 178.790 0.464 25230 664 1 3 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.694 -0.454 25230 665 1 3 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.520 -0.002 25230 666 1 3 . 1 1 36 36 ALA H H 36 8.169 8.169 7.738 0.431 25230 667 1 3 . 1 1 37 37 GLU N N 37 114.105 114.105 115.944 -1.839 25230 668 1 3 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.309 -0.101 25230 669 1 3 . 1 1 37 37 GLU C C 37 176.714 176.714 176.289 0.425 25230 670 1 3 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.368 -0.538 25230 671 1 3 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.228 -0.306 25230 672 1 3 . 1 1 37 37 GLU H H 37 7.374 7.374 7.743 -0.369 25230 673 1 3 . 1 1 38 38 SER N N 38 115.555 115.555 115.373 0.182 25230 674 1 3 . 1 1 38 38 SER HA H 38 4.423 4.423 4.355 0.068 25230 675 1 3 . 1 1 38 38 SER C C 38 176.119 176.119 175.616 0.503 25230 676 1 3 . 1 1 38 38 SER CA C 38 58.229 58.229 58.714 -0.485 25230 677 1 3 . 1 1 38 38 SER CB C 38 63.245 63.245 63.994 -0.749 25230 678 1 3 . 1 1 38 38 SER H H 38 7.486 7.486 7.614 -0.128 25230 679 1 3 . 1 1 39 39 THR N N 39 120.165 120.165 117.116 3.049 25230 680 1 3 . 1 1 39 39 THR HA H 39 4.148 4.148 4.175 -0.027 25230 681 1 3 . 1 1 39 39 THR C C 39 174.936 174.936 175.311 -0.375 25230 682 1 3 . 1 1 39 39 THR CA C 39 63.523 63.523 65.048 -1.525 25230 683 1 3 . 1 1 39 39 THR CB C 39 68.170 68.170 69.019 -0.850 25230 684 1 3 . 1 1 39 39 THR H H 39 8.894 8.894 8.407 0.487 25230 685 1 3 . 1 1 40 40 GLU N N 40 119.436 119.436 121.680 -2.244 25230 686 1 3 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.533 -0.062 25230 687 1 3 . 1 1 40 40 GLU C C 40 175.888 175.888 175.231 0.657 25230 688 1 3 . 1 1 40 40 GLU CA C 40 54.035 54.035 55.480 -1.445 25230 689 1 3 . 1 1 40 40 GLU CB C 40 31.340 31.340 31.099 0.241 25230 690 1 3 . 1 1 40 40 GLU H H 40 7.962 7.962 7.925 0.037 25230 691 1 3 . 1 1 41 41 ASP N N 41 122.486 122.486 127.774 -5.288 25230 692 1 3 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.741 -0.252 25230 693 1 3 . 1 1 41 41 ASP C C 41 175.466 175.466 175.932 -0.466 25230 694 1 3 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.503 -0.379 25230 695 1 3 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.690 0.057 25230 696 1 3 . 1 1 41 41 ASP H H 41 8.748 8.748 8.635 0.113 25230 697 1 3 . 1 1 42 42 VAL N N 42 120.843 120.843 120.919 -0.076 25230 698 1 3 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.208 0.099 25230 699 1 3 . 1 1 42 42 VAL C C 42 174.810 174.810 176.126 -1.316 25230 700 1 3 . 1 1 42 42 VAL CA C 42 61.108 61.108 62.281 -1.173 25230 701 1 3 . 1 1 42 42 VAL CB C 42 34.251 34.251 33.066 1.185 25230 702 1 3 . 1 1 42 42 VAL H H 42 7.506 7.506 7.960 -0.454 25230 703 1 3 . 1 1 43 43 THR N N 43 117.225 117.225 123.219 -5.994 25230 704 1 3 . 1 1 43 43 THR HA H 43 4.310 4.310 4.419 -0.109 25230 705 1 3 . 1 1 43 43 THR C C 43 172.690 172.690 173.556 -0.866 25230 706 1 3 . 1 1 43 43 THR CA C 43 60.110 60.110 62.261 -2.151 25230 707 1 3 . 1 1 43 43 THR CB C 43 70.453 70.453 68.754 1.699 25230 708 1 3 . 1 1 43 43 THR H H 43 8.259 8.259 8.396 -0.137 25230 709 1 4 . 1 1 2 2 HIS C C 2 177.389 177.389 174.542 2.847 25230 710 1 4 . 1 1 3 3 MET N N 3 122.082 122.082 124.011 -1.929 25230 711 1 4 . 1 1 3 3 MET HA H 3 4.412 4.412 4.418 -0.006 25230 712 1 4 . 1 1 3 3 MET C C 3 176.544 176.544 175.535 1.009 25230 713 1 4 . 1 1 3 3 MET CA C 3 54.967 54.967 55.029 -0.062 25230 714 1 4 . 1 1 3 3 MET CB C 3 31.913 31.913 34.379 -2.466 25230 715 1 4 . 1 1 3 3 MET H H 3 8.448 8.448 8.412 0.036 25230 716 1 4 . 1 1 4 4 GLY N N 4 110.366 110.366 109.285 1.081 25230 717 1 4 . 1 1 4 4 GLY C C 4 173.781 173.781 173.530 0.251 25230 718 1 4 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.325 -0.741 25230 719 1 4 . 1 1 4 4 GLY H H 4 8.459 8.459 8.470 -0.011 25230 720 1 4 . 1 1 5 5 ALA N N 5 124.049 124.049 125.524 -1.475 25230 721 1 4 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.317 -0.020 25230 722 1 4 . 1 1 5 5 ALA C C 5 177.465 177.465 175.591 1.874 25230 723 1 4 . 1 1 5 5 ALA CA C 5 51.884 51.884 52.570 -0.686 25230 724 1 4 . 1 1 5 5 ALA CB C 5 18.921 18.921 18.005 0.916 25230 725 1 4 . 1 1 5 5 ALA H H 5 8.253 8.253 8.327 -0.074 25230 726 1 4 . 1 1 6 6 ALA N N 6 123.132 123.132 124.189 -1.057 25230 727 1 4 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.515 -0.234 25230 728 1 4 . 1 1 6 6 ALA C C 6 177.249 177.249 175.674 1.575 25230 729 1 4 . 1 1 6 6 ALA CA C 6 51.851 51.851 52.703 -0.852 25230 730 1 4 . 1 1 6 6 ALA CB C 6 18.877 18.877 19.969 -1.092 25230 731 1 4 . 1 1 6 6 ALA H H 6 8.322 8.322 7.879 0.443 25230 732 1 4 . 1 1 7 7 ALA N N 7 123.675 123.675 121.478 2.197 25230 733 1 4 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.398 -0.135 25230 734 1 4 . 1 1 7 7 ALA C C 7 177.348 177.348 176.618 0.730 25230 735 1 4 . 1 1 7 7 ALA CA C 7 51.585 51.585 52.983 -1.398 25230 736 1 4 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.970 -1.171 25230 737 1 4 . 1 1 7 7 ALA H H 7 8.231 8.231 8.334 -0.103 25230 738 1 4 . 1 1 8 8 LEU N N 8 121.187 121.187 117.545 3.642 25230 739 1 4 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.882 -0.493 25230 740 1 4 . 1 1 8 8 LEU C C 8 177.090 177.090 176.303 0.787 25230 741 1 4 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.224 0.310 25230 742 1 4 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.916 -1.184 25230 743 1 4 . 1 1 8 8 LEU H H 8 8.104 8.104 7.534 0.570 25230 744 1 4 . 1 1 9 9 ARG N N 9 121.721 121.721 117.923 3.798 25230 745 1 4 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.563 -0.077 25230 746 1 4 . 1 1 9 9 ARG C C 9 176.109 176.109 174.787 1.322 25230 747 1 4 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.264 -0.503 25230 748 1 4 . 1 1 9 9 ARG CB C 9 30.679 30.679 32.520 -1.841 25230 749 1 4 . 1 1 9 9 ARG H H 9 8.797 8.797 8.801 -0.004 25230 750 1 4 . 1 1 10 10 SER N N 10 112.067 112.067 115.377 -3.310 25230 751 1 4 . 1 1 10 10 SER HA H 10 4.265 4.265 4.225 0.040 25230 752 1 4 . 1 1 10 10 SER C C 10 178.260 178.260 173.591 4.669 25230 753 1 4 . 1 1 10 10 SER CA C 10 55.374 55.374 57.331 -1.956 25230 754 1 4 . 1 1 10 10 SER CB C 10 64.945 64.945 65.483 -0.538 25230 755 1 4 . 1 1 10 10 SER H H 10 7.555 7.555 7.857 -0.302 25230 756 1 4 . 1 1 11 11 CYS N N 11 124.756 124.756 125.218 -0.462 25230 757 1 4 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.228 -0.030 25230 758 1 4 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.661 -1.780 25230 759 1 4 . 1 1 11 11 CYS CB C 11 30.802 30.802 26.902 3.900 25230 760 1 4 . 1 1 11 11 CYS H H 11 7.980 7.980 7.647 0.333 25230 761 1 4 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.301 -0.012 25230 762 1 4 . 1 1 12 12 PRO C C 12 176.179 176.179 176.317 -0.138 25230 763 1 4 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.761 -0.870 25230 764 1 4 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.715 0.084 25230 765 1 4 . 1 1 13 13 MET N N 13 119.495 119.495 117.620 1.875 25230 766 1 4 . 1 1 13 13 MET HA H 13 4.258 4.258 4.370 -0.112 25230 767 1 4 . 1 1 13 13 MET C C 13 176.255 176.255 176.936 -0.681 25230 768 1 4 . 1 1 13 13 MET CA C 13 57.472 57.472 57.259 0.213 25230 769 1 4 . 1 1 13 13 MET CB C 13 33.892 33.892 33.867 0.025 25230 770 1 4 . 1 1 13 13 MET H H 13 8.777 8.777 7.886 0.891 25230 771 1 4 . 1 1 14 14 CYS N N 14 118.342 118.342 115.378 2.964 25230 772 1 4 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.799 0.084 25230 773 1 4 . 1 1 14 14 CYS C C 14 176.154 176.154 174.768 1.386 25230 774 1 4 . 1 1 14 14 CYS CA C 14 58.426 58.426 56.995 1.431 25230 775 1 4 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.041 3.153 25230 776 1 4 . 1 1 14 14 CYS H H 14 8.280 8.280 7.779 0.501 25230 777 1 4 . 1 1 15 15 GLN N N 15 115.275 115.275 120.406 -5.131 25230 778 1 4 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.854 0.037 25230 779 1 4 . 1 1 15 15 GLN C C 15 174.702 174.702 174.071 0.631 25230 780 1 4 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.851 0.595 25230 781 1 4 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.532 -1.546 25230 782 1 4 . 1 1 15 15 GLN H H 15 7.680 7.680 8.133 -0.453 25230 783 1 4 . 1 1 16 16 LYS N N 16 123.016 123.016 120.914 2.102 25230 784 1 4 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.343 -0.458 25230 785 1 4 . 1 1 16 16 LYS C C 16 175.463 175.463 175.485 -0.022 25230 786 1 4 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.803 2.020 25230 787 1 4 . 1 1 16 16 LYS CB C 16 32.909 32.909 33.776 -0.867 25230 788 1 4 . 1 1 16 16 LYS H H 16 8.187 8.187 7.299 0.888 25230 789 1 4 . 1 1 17 17 GLU N N 17 124.246 124.246 127.696 -3.450 25230 790 1 4 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.985 -0.133 25230 791 1 4 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.549 -1.911 25230 792 1 4 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.285 0.837 25230 793 1 4 . 1 1 17 17 GLU H H 17 8.422 8.422 8.658 -0.236 25230 794 1 4 . 1 1 18 18 PHE N N 18 124.027 124.027 124.793 -0.766 25230 795 1 4 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.267 0.393 25230 796 1 4 . 1 1 18 18 PHE CA C 18 54.443 54.443 57.929 -3.486 25230 797 1 4 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.403 -1.734 25230 798 1 4 . 1 1 18 18 PHE H H 18 7.998 7.998 7.753 0.245 25230 799 1 4 . 1 1 19 19 ALA N N 19 129.037 129.037 125.402 3.635 25230 800 1 4 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.369 0.145 25230 801 1 4 . 1 1 19 19 ALA C C 19 176.379 176.379 175.934 0.445 25230 802 1 4 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.156 -0.697 25230 803 1 4 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.290 -1.148 25230 804 1 4 . 1 1 19 19 ALA H H 19 8.304 8.304 8.530 -0.226 25230 805 1 4 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.409 -0.108 25230 806 1 4 . 1 1 20 20 PRO C C 20 176.955 176.955 176.413 0.542 25230 807 1 4 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.601 1.646 25230 808 1 4 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.710 -1.258 25230 809 1 4 . 1 1 21 21 ARG N N 21 111.617 111.617 112.855 -1.238 25230 810 1 4 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.956 0.207 25230 811 1 4 . 1 1 21 21 ARG C C 21 176.779 176.779 175.310 1.469 25230 812 1 4 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.115 -1.410 25230 813 1 4 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.788 0.838 25230 814 1 4 . 1 1 21 21 ARG H H 21 7.599 7.599 8.508 -0.909 25230 815 1 4 . 1 1 22 22 LEU N N 22 121.114 121.114 114.698 6.416 25230 816 1 4 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.866 -0.547 25230 817 1 4 . 1 1 22 22 LEU C C 22 177.933 177.933 176.802 1.131 25230 818 1 4 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.097 2.173 25230 819 1 4 . 1 1 22 22 LEU CB C 22 41.182 41.182 43.334 -2.152 25230 820 1 4 . 1 1 22 22 LEU H H 22 7.512 7.512 7.712 -0.200 25230 821 1 4 . 1 1 23 23 THR N N 23 114.258 114.258 107.453 6.805 25230 822 1 4 . 1 1 23 23 THR HA H 23 4.360 4.360 4.842 -0.482 25230 823 1 4 . 1 1 23 23 THR C C 23 175.139 175.139 175.515 -0.376 25230 824 1 4 . 1 1 23 23 THR CA C 23 59.968 59.968 59.092 0.876 25230 825 1 4 . 1 1 23 23 THR CB C 23 70.887 70.887 71.496 -0.609 25230 826 1 4 . 1 1 23 23 THR H H 23 9.058 9.058 8.038 1.020 25230 827 1 4 . 1 1 24 24 GLN N N 24 120.754 120.754 121.160 -0.406 25230 828 1 4 . 1 1 24 24 GLN HA H 24 3.713 3.713 4.005 -0.292 25230 829 1 4 . 1 1 24 24 GLN C C 24 177.591 177.591 177.871 -0.280 25230 830 1 4 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.613 -1.329 25230 831 1 4 . 1 1 24 24 GLN CB C 24 28.206 28.206 27.950 0.256 25230 832 1 4 . 1 1 24 24 GLN H H 24 8.835 8.835 8.866 -0.031 25230 833 1 4 . 1 1 25 25 LEU N N 25 118.814 118.814 117.739 1.075 25230 834 1 4 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.109 0.033 25230 835 1 4 . 1 1 25 25 LEU C C 25 178.984 178.984 177.655 1.329 25230 836 1 4 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.928 -0.117 25230 837 1 4 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.327 0.112 25230 838 1 4 . 1 1 25 25 LEU H H 25 7.899 7.899 8.181 -0.282 25230 839 1 4 . 1 1 26 26 ASP N N 26 120.208 120.208 119.255 0.953 25230 840 1 4 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.267 -0.056 25230 841 1 4 . 1 1 26 26 ASP C C 26 179.490 179.490 178.819 0.671 25230 842 1 4 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.711 -0.892 25230 843 1 4 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.037 1.187 25230 844 1 4 . 1 1 26 26 ASP H H 26 7.553 7.553 7.470 0.083 25230 845 1 4 . 1 1 27 27 VAL N N 27 123.015 123.015 119.588 3.427 25230 846 1 4 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.954 -0.147 25230 847 1 4 . 1 1 27 27 VAL C C 27 177.068 177.068 177.600 -0.532 25230 848 1 4 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.972 -0.586 25230 849 1 4 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.452 -0.512 25230 850 1 4 . 1 1 27 27 VAL H H 27 7.880 7.880 7.492 0.388 25230 851 1 4 . 1 1 28 28 ASP N N 28 120.893 120.893 119.923 0.970 25230 852 1 4 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.339 -0.303 25230 853 1 4 . 1 1 28 28 ASP C C 28 177.819 177.819 179.201 -1.382 25230 854 1 4 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.381 0.115 25230 855 1 4 . 1 1 28 28 ASP CB C 28 39.560 39.560 39.909 -0.349 25230 856 1 4 . 1 1 28 28 ASP H H 28 8.369 8.369 7.871 0.498 25230 857 1 4 . 1 1 29 29 SER N N 29 112.819 112.819 115.412 -2.593 25230 858 1 4 . 1 1 29 29 SER C C 29 177.067 177.067 176.493 0.574 25230 859 1 4 . 1 1 29 29 SER CB C 29 62.305 62.305 63.216 -0.911 25230 860 1 4 . 1 1 29 29 SER H H 29 7.894 7.894 8.341 -0.447 25230 861 1 4 . 1 1 30 30 HIS N N 30 120.983 120.983 122.261 -1.278 25230 862 1 4 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.408 -0.371 25230 863 1 4 . 1 1 30 30 HIS C C 30 177.079 177.079 177.566 -0.487 25230 864 1 4 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.189 0.952 25230 865 1 4 . 1 1 30 30 HIS CB C 30 27.086 27.086 29.930 -2.844 25230 866 1 4 . 1 1 30 30 HIS H H 30 7.619 7.619 7.581 0.038 25230 867 1 4 . 1 1 31 31 LEU N N 31 118.614 118.614 121.011 -2.397 25230 868 1 4 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.025 -0.297 25230 869 1 4 . 1 1 31 31 LEU C C 31 178.111 178.111 178.913 -0.802 25230 870 1 4 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.343 -0.812 25230 871 1 4 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.235 0.428 25230 872 1 4 . 1 1 31 31 LEU H H 31 8.657 8.657 8.764 -0.107 25230 873 1 4 . 1 1 32 32 ALA N N 32 119.459 119.459 120.041 -0.582 25230 874 1 4 . 1 1 32 32 ALA HA H 32 3.767 3.767 3.990 -0.223 25230 875 1 4 . 1 1 32 32 ALA C C 32 178.082 178.082 179.762 -1.680 25230 876 1 4 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.171 -0.570 25230 877 1 4 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.435 -0.581 25230 878 1 4 . 1 1 32 32 ALA H H 32 8.296 8.296 8.085 0.211 25230 879 1 4 . 1 1 33 33 GLN N N 33 117.648 117.648 117.809 -0.161 25230 880 1 4 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.022 -0.144 25230 881 1 4 . 1 1 33 33 GLN C C 33 178.653 178.653 178.404 0.249 25230 882 1 4 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.569 -0.092 25230 883 1 4 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.734 -1.111 25230 884 1 4 . 1 1 33 33 GLN H H 33 7.537 7.537 7.700 -0.163 25230 885 1 4 . 1 1 34 34 CYS N N 34 119.676 119.676 119.890 -0.214 25230 886 1 4 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.149 -0.301 25230 887 1 4 . 1 1 34 34 CYS C C 34 178.744 178.744 176.884 1.860 25230 888 1 4 . 1 1 34 34 CYS CA C 34 65.538 65.538 62.658 2.880 25230 889 1 4 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.566 0.187 25230 890 1 4 . 1 1 34 34 CYS H H 34 8.265 8.265 8.505 -0.240 25230 891 1 4 . 1 1 35 35 LEU N N 35 122.036 122.036 121.797 0.239 25230 892 1 4 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.027 0.211 25230 893 1 4 . 1 1 35 35 LEU C C 35 179.090 179.090 179.769 -0.679 25230 894 1 4 . 1 1 35 35 LEU CA C 35 57.022 57.022 58.291 -1.269 25230 895 1 4 . 1 1 35 35 LEU CB C 35 41.168 41.168 42.140 -0.972 25230 896 1 4 . 1 1 35 35 LEU H H 35 8.764 8.764 8.391 0.373 25230 897 1 4 . 1 1 36 36 ALA N N 36 121.371 121.371 119.583 1.788 25230 898 1 4 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.055 -0.159 25230 899 1 4 . 1 1 36 36 ALA C C 36 179.254 179.254 178.690 0.564 25230 900 1 4 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.498 -0.258 25230 901 1 4 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.463 0.056 25230 902 1 4 . 1 1 36 36 ALA H H 36 8.169 8.169 7.762 0.407 25230 903 1 4 . 1 1 37 37 GLU N N 37 114.105 114.105 117.629 -3.524 25230 904 1 4 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.258 -0.050 25230 905 1 4 . 1 1 37 37 GLU C C 37 176.714 176.714 176.770 -0.056 25230 906 1 4 . 1 1 37 37 GLU CA C 37 55.830 55.830 57.183 -1.353 25230 907 1 4 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.172 -0.250 25230 908 1 4 . 1 1 37 37 GLU H H 37 7.374 7.374 7.948 -0.574 25230 909 1 4 . 1 1 38 38 SER N N 38 115.555 115.555 113.704 1.851 25230 910 1 4 . 1 1 38 38 SER HA H 38 4.423 4.423 4.655 -0.232 25230 911 1 4 . 1 1 38 38 SER C C 38 176.119 176.119 174.638 1.481 25230 912 1 4 . 1 1 38 38 SER CA C 38 58.229 58.229 57.464 0.765 25230 913 1 4 . 1 1 38 38 SER CB C 38 63.245 63.245 64.991 -1.746 25230 914 1 4 . 1 1 38 38 SER H H 38 7.486 7.486 7.679 -0.193 25230 915 1 4 . 1 1 39 39 THR N N 39 120.165 120.165 113.584 6.581 25230 916 1 4 . 1 1 39 39 THR HA H 39 4.148 4.148 4.518 -0.370 25230 917 1 4 . 1 1 39 39 THR C C 39 174.936 174.936 174.311 0.625 25230 918 1 4 . 1 1 39 39 THR CA C 39 63.523 63.523 62.163 1.360 25230 919 1 4 . 1 1 39 39 THR CB C 39 68.170 68.170 69.458 -1.288 25230 920 1 4 . 1 1 39 39 THR H H 39 8.894 8.894 8.350 0.544 25230 921 1 4 . 1 1 40 40 GLU N N 40 119.436 119.436 122.097 -2.661 25230 922 1 4 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.544 -0.073 25230 923 1 4 . 1 1 40 40 GLU C C 40 175.888 175.888 175.863 0.025 25230 924 1 4 . 1 1 40 40 GLU CA C 40 54.035 54.035 56.071 -2.036 25230 925 1 4 . 1 1 40 40 GLU CB C 40 31.340 31.340 30.821 0.519 25230 926 1 4 . 1 1 40 40 GLU H H 40 7.962 7.962 7.919 0.043 25230 927 1 4 . 1 1 41 41 ASP N N 41 122.486 122.486 121.944 0.542 25230 928 1 4 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.842 -0.353 25230 929 1 4 . 1 1 41 41 ASP C C 41 175.466 175.466 175.491 -0.025 25230 930 1 4 . 1 1 41 41 ASP CA C 41 54.124 54.124 53.480 0.644 25230 931 1 4 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.890 -0.143 25230 932 1 4 . 1 1 41 41 ASP H H 41 8.748 8.748 8.508 0.240 25230 933 1 4 . 1 1 42 42 VAL N N 42 120.843 120.843 120.707 0.136 25230 934 1 4 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.235 0.072 25230 935 1 4 . 1 1 42 42 VAL C C 42 174.810 174.810 175.966 -1.156 25230 936 1 4 . 1 1 42 42 VAL CA C 42 61.108 61.108 62.071 -0.963 25230 937 1 4 . 1 1 42 42 VAL CB C 42 34.251 34.251 33.062 1.188 25230 938 1 4 . 1 1 42 42 VAL H H 42 7.506 7.506 7.625 -0.119 25230 939 1 4 . 1 1 43 43 THR N N 43 117.225 117.225 123.606 -6.381 25230 940 1 4 . 1 1 43 43 THR HA H 43 4.310 4.310 4.523 -0.213 25230 941 1 4 . 1 1 43 43 THR C C 43 172.690 172.690 173.850 -1.160 25230 942 1 4 . 1 1 43 43 THR CA C 43 60.110 60.110 62.037 -1.927 25230 943 1 4 . 1 1 43 43 THR CB C 43 70.453 70.453 69.229 1.224 25230 944 1 4 . 1 1 43 43 THR H H 43 8.259 8.259 8.285 -0.026 25230 945 1 5 . 1 1 2 2 HIS C C 2 177.389 177.389 174.410 2.979 25230 946 1 5 . 1 1 3 3 MET N N 3 122.082 122.082 119.103 2.979 25230 947 1 5 . 1 1 3 3 MET HA H 3 4.412 4.412 4.617 -0.205 25230 948 1 5 . 1 1 3 3 MET C C 3 176.544 176.544 175.501 1.043 25230 949 1 5 . 1 1 3 3 MET CA C 3 54.967 54.967 55.094 -0.127 25230 950 1 5 . 1 1 3 3 MET CB C 3 31.913 31.913 33.145 -1.232 25230 951 1 5 . 1 1 3 3 MET H H 3 8.448 8.448 8.012 0.436 25230 952 1 5 . 1 1 4 4 GLY N N 4 110.366 110.366 110.025 0.341 25230 953 1 5 . 1 1 4 4 GLY C C 4 173.781 173.781 173.660 0.121 25230 954 1 5 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.355 -0.771 25230 955 1 5 . 1 1 4 4 GLY H H 4 8.459 8.459 8.103 0.356 25230 956 1 5 . 1 1 5 5 ALA N N 5 124.049 124.049 126.373 -2.324 25230 957 1 5 . 1 1 5 5 ALA HA H 5 4.297 4.297 5.062 -0.765 25230 958 1 5 . 1 1 5 5 ALA C C 5 177.465 177.465 176.261 1.204 25230 959 1 5 . 1 1 5 5 ALA CA C 5 51.884 51.884 50.608 1.276 25230 960 1 5 . 1 1 5 5 ALA CB C 5 18.921 18.921 21.536 -2.615 25230 961 1 5 . 1 1 5 5 ALA H H 5 8.253 8.253 7.566 0.687 25230 962 1 5 . 1 1 6 6 ALA N N 6 123.132 123.132 121.350 1.782 25230 963 1 5 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.365 -0.084 25230 964 1 5 . 1 1 6 6 ALA C C 6 177.249 177.249 177.755 -0.506 25230 965 1 5 . 1 1 6 6 ALA CA C 6 51.851 51.851 52.017 -0.166 25230 966 1 5 . 1 1 6 6 ALA CB C 6 18.877 18.877 19.636 -0.758 25230 967 1 5 . 1 1 6 6 ALA H H 6 8.322 8.322 8.340 -0.018 25230 968 1 5 . 1 1 7 7 ALA N N 7 123.675 123.675 120.722 2.953 25230 969 1 5 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.294 -0.031 25230 970 1 5 . 1 1 7 7 ALA C C 7 177.348 177.348 176.603 0.745 25230 971 1 5 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.092 -1.507 25230 972 1 5 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.229 -0.430 25230 973 1 5 . 1 1 7 7 ALA H H 7 8.231 8.231 8.608 -0.377 25230 974 1 5 . 1 1 8 8 LEU N N 8 121.187 121.187 113.669 7.518 25230 975 1 5 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.769 -0.380 25230 976 1 5 . 1 1 8 8 LEU C C 8 177.090 177.090 175.804 1.286 25230 977 1 5 . 1 1 8 8 LEU CA C 8 54.534 54.534 53.495 1.039 25230 978 1 5 . 1 1 8 8 LEU CB C 8 42.732 42.732 44.422 -1.690 25230 979 1 5 . 1 1 8 8 LEU H H 8 8.104 8.104 7.480 0.624 25230 980 1 5 . 1 1 9 9 ARG N N 9 121.721 121.721 118.932 2.789 25230 981 1 5 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.609 -0.123 25230 982 1 5 . 1 1 9 9 ARG C C 9 176.109 176.109 175.387 0.722 25230 983 1 5 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.274 -0.513 25230 984 1 5 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.087 -0.408 25230 985 1 5 . 1 1 9 9 ARG H H 9 8.797 8.797 8.753 0.044 25230 986 1 5 . 1 1 10 10 SER N N 10 112.067 112.067 113.768 -1.701 25230 987 1 5 . 1 1 10 10 SER HA H 10 4.265 4.265 4.318 -0.053 25230 988 1 5 . 1 1 10 10 SER C C 10 178.260 178.260 173.704 4.556 25230 989 1 5 . 1 1 10 10 SER CA C 10 55.374 55.374 56.896 -1.522 25230 990 1 5 . 1 1 10 10 SER CB C 10 64.945 64.945 65.364 -0.419 25230 991 1 5 . 1 1 10 10 SER H H 10 7.555 7.555 7.734 -0.179 25230 992 1 5 . 1 1 11 11 CYS N N 11 124.756 124.756 125.382 -0.626 25230 993 1 5 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.271 -0.073 25230 994 1 5 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.494 -1.613 25230 995 1 5 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.062 3.740 25230 996 1 5 . 1 1 11 11 CYS H H 11 7.980 7.980 7.654 0.326 25230 997 1 5 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.237 0.052 25230 998 1 5 . 1 1 12 12 PRO C C 12 176.179 176.179 176.311 -0.132 25230 999 1 5 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.677 -0.786 25230 1000 1 5 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.500 0.299 25230 1001 1 5 . 1 1 13 13 MET N N 13 119.495 119.495 117.133 2.362 25230 1002 1 5 . 1 1 13 13 MET HA H 13 4.258 4.258 4.356 -0.098 25230 1003 1 5 . 1 1 13 13 MET C C 13 176.255 176.255 176.914 -0.659 25230 1004 1 5 . 1 1 13 13 MET CA C 13 57.472 57.472 57.485 -0.013 25230 1005 1 5 . 1 1 13 13 MET CB C 13 33.892 33.892 33.456 0.436 25230 1006 1 5 . 1 1 13 13 MET H H 13 8.777 8.777 7.841 0.936 25230 1007 1 5 . 1 1 14 14 CYS N N 14 118.342 118.342 114.971 3.371 25230 1008 1 5 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.804 0.079 25230 1009 1 5 . 1 1 14 14 CYS C C 14 176.154 176.154 174.899 1.255 25230 1010 1 5 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.068 1.358 25230 1011 1 5 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.297 2.897 25230 1012 1 5 . 1 1 14 14 CYS H H 14 8.280 8.280 7.874 0.406 25230 1013 1 5 . 1 1 15 15 GLN N N 15 115.275 115.275 119.231 -3.956 25230 1014 1 5 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.849 0.042 25230 1015 1 5 . 1 1 15 15 GLN C C 15 174.702 174.702 174.167 0.535 25230 1016 1 5 . 1 1 15 15 GLN CA C 15 57.446 57.446 57.000 0.446 25230 1017 1 5 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.121 -1.135 25230 1018 1 5 . 1 1 15 15 GLN H H 15 7.680 7.680 8.111 -0.431 25230 1019 1 5 . 1 1 16 16 LYS N N 16 123.016 123.016 120.607 2.409 25230 1020 1 5 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.357 -0.472 25230 1021 1 5 . 1 1 16 16 LYS C C 16 175.463 175.463 175.299 0.164 25230 1022 1 5 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.528 2.295 25230 1023 1 5 . 1 1 16 16 LYS CB C 16 32.909 32.909 34.032 -1.123 25230 1024 1 5 . 1 1 16 16 LYS H H 16 8.187 8.187 7.285 0.902 25230 1025 1 5 . 1 1 17 17 GLU N N 17 124.246 124.246 127.648 -3.402 25230 1026 1 5 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.990 -0.138 25230 1027 1 5 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.343 -1.706 25230 1028 1 5 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.073 1.049 25230 1029 1 5 . 1 1 17 17 GLU H H 17 8.422 8.422 8.675 -0.253 25230 1030 1 5 . 1 1 18 18 PHE N N 18 124.027 124.027 124.887 -0.860 25230 1031 1 5 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.261 0.399 25230 1032 1 5 . 1 1 18 18 PHE CA C 18 54.443 54.443 58.077 -3.634 25230 1033 1 5 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.280 -1.611 25230 1034 1 5 . 1 1 18 18 PHE H H 18 7.998 7.998 7.756 0.242 25230 1035 1 5 . 1 1 19 19 ALA N N 19 129.037 129.037 125.099 3.938 25230 1036 1 5 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.349 0.165 25230 1037 1 5 . 1 1 19 19 ALA C C 19 176.379 176.379 175.980 0.399 25230 1038 1 5 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.215 -0.756 25230 1039 1 5 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.275 -1.133 25230 1040 1 5 . 1 1 19 19 ALA H H 19 8.304 8.304 8.520 -0.216 25230 1041 1 5 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.451 -0.151 25230 1042 1 5 . 1 1 20 20 PRO C C 20 176.955 176.955 176.365 0.590 25230 1043 1 5 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.783 1.464 25230 1044 1 5 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.679 -1.227 25230 1045 1 5 . 1 1 21 21 ARG N N 21 111.617 111.617 114.389 -2.772 25230 1046 1 5 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.947 0.216 25230 1047 1 5 . 1 1 21 21 ARG C C 21 176.779 176.779 175.225 1.554 25230 1048 1 5 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.020 -1.315 25230 1049 1 5 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.521 1.105 25230 1050 1 5 . 1 1 21 21 ARG H H 21 7.599 7.599 8.558 -0.959 25230 1051 1 5 . 1 1 22 22 LEU N N 22 121.114 121.114 114.817 6.297 25230 1052 1 5 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.875 -0.556 25230 1053 1 5 . 1 1 22 22 LEU C C 22 177.933 177.933 177.615 0.318 25230 1054 1 5 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.171 2.099 25230 1055 1 5 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.498 -1.316 25230 1056 1 5 . 1 1 22 22 LEU H H 22 7.512 7.512 7.687 -0.175 25230 1057 1 5 . 1 1 23 23 THR N N 23 114.258 114.258 106.716 7.542 25230 1058 1 5 . 1 1 23 23 THR HA H 23 4.360 4.360 4.564 -0.204 25230 1059 1 5 . 1 1 23 23 THR C C 23 175.139 175.139 175.385 -0.246 25230 1060 1 5 . 1 1 23 23 THR CA C 23 59.968 59.968 59.650 0.318 25230 1061 1 5 . 1 1 23 23 THR CB C 23 70.887 70.887 71.788 -0.901 25230 1062 1 5 . 1 1 23 23 THR H H 23 9.058 9.058 8.283 0.775 25230 1063 1 5 . 1 1 24 24 GLN N N 24 120.754 120.754 120.534 0.220 25230 1064 1 5 . 1 1 24 24 GLN HA H 24 3.713 3.713 3.987 -0.274 25230 1065 1 5 . 1 1 24 24 GLN C C 24 177.591 177.591 177.842 -0.251 25230 1066 1 5 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.572 -1.288 25230 1067 1 5 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.085 0.120 25230 1068 1 5 . 1 1 24 24 GLN H H 24 8.835 8.835 8.838 -0.003 25230 1069 1 5 . 1 1 25 25 LEU N N 25 118.814 118.814 117.500 1.314 25230 1070 1 5 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.149 -0.007 25230 1071 1 5 . 1 1 25 25 LEU C C 25 178.984 178.984 178.175 0.809 25230 1072 1 5 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.729 0.082 25230 1073 1 5 . 1 1 25 25 LEU CB C 25 41.439 41.439 40.789 0.650 25230 1074 1 5 . 1 1 25 25 LEU H H 25 7.899 7.899 8.300 -0.401 25230 1075 1 5 . 1 1 26 26 ASP N N 26 120.208 120.208 120.541 -0.333 25230 1076 1 5 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.305 -0.094 25230 1077 1 5 . 1 1 26 26 ASP C C 26 179.490 179.490 178.719 0.771 25230 1078 1 5 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.421 -0.602 25230 1079 1 5 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.109 1.115 25230 1080 1 5 . 1 1 26 26 ASP H H 26 7.553 7.553 7.839 -0.286 25230 1081 1 5 . 1 1 27 27 VAL N N 27 123.015 123.015 118.007 5.008 25230 1082 1 5 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.980 -0.173 25230 1083 1 5 . 1 1 27 27 VAL C C 27 177.068 177.068 177.612 -0.544 25230 1084 1 5 . 1 1 27 27 VAL CA C 27 66.385 66.385 65.100 1.285 25230 1085 1 5 . 1 1 27 27 VAL CB C 27 30.940 30.940 30.682 0.258 25230 1086 1 5 . 1 1 27 27 VAL H H 27 7.880 7.880 7.515 0.365 25230 1087 1 5 . 1 1 28 28 ASP N N 28 120.893 120.893 120.593 0.300 25230 1088 1 5 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.487 -0.451 25230 1089 1 5 . 1 1 28 28 ASP C C 28 177.819 177.819 179.094 -1.275 25230 1090 1 5 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.300 0.196 25230 1091 1 5 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.185 -0.625 25230 1092 1 5 . 1 1 28 28 ASP H H 28 8.369 8.369 7.736 0.633 25230 1093 1 5 . 1 1 29 29 SER N N 29 112.819 112.819 116.642 -3.823 25230 1094 1 5 . 1 1 29 29 SER C C 29 177.067 177.067 176.431 0.636 25230 1095 1 5 . 1 1 29 29 SER CB C 29 62.305 62.305 63.310 -1.005 25230 1096 1 5 . 1 1 29 29 SER H H 29 7.894 7.894 8.200 -0.306 25230 1097 1 5 . 1 1 30 30 HIS N N 30 120.983 120.983 121.739 -0.756 25230 1098 1 5 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.413 -0.376 25230 1099 1 5 . 1 1 30 30 HIS C C 30 177.079 177.079 177.499 -0.420 25230 1100 1 5 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.116 1.025 25230 1101 1 5 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.146 -3.060 25230 1102 1 5 . 1 1 30 30 HIS H H 30 7.619 7.619 7.548 0.071 25230 1103 1 5 . 1 1 31 31 LEU N N 31 118.614 118.614 120.722 -2.108 25230 1104 1 5 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.033 -0.305 25230 1105 1 5 . 1 1 31 31 LEU C C 31 178.111 178.111 179.053 -0.942 25230 1106 1 5 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.220 -0.689 25230 1107 1 5 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.893 -0.230 25230 1108 1 5 . 1 1 31 31 LEU H H 31 8.657 8.657 8.315 0.342 25230 1109 1 5 . 1 1 32 32 ALA N N 32 119.459 119.459 120.412 -0.953 25230 1110 1 5 . 1 1 32 32 ALA HA H 32 3.767 3.767 3.884 -0.117 25230 1111 1 5 . 1 1 32 32 ALA C C 32 178.082 178.082 179.727 -1.645 25230 1112 1 5 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.334 -0.733 25230 1113 1 5 . 1 1 32 32 ALA CB C 32 17.854 17.854 17.984 -0.130 25230 1114 1 5 . 1 1 32 32 ALA H H 32 8.296 8.296 8.038 0.258 25230 1115 1 5 . 1 1 33 33 GLN N N 33 117.648 117.648 117.611 0.037 25230 1116 1 5 . 1 1 33 33 GLN HA H 33 3.878 3.878 3.893 -0.015 25230 1117 1 5 . 1 1 33 33 GLN C C 33 178.653 178.653 178.264 0.389 25230 1118 1 5 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.901 -0.424 25230 1119 1 5 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.576 -0.953 25230 1120 1 5 . 1 1 33 33 GLN H H 33 7.537 7.537 7.651 -0.114 25230 1121 1 5 . 1 1 34 34 CYS N N 34 119.676 119.676 118.967 0.709 25230 1122 1 5 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.164 -0.316 25230 1123 1 5 . 1 1 34 34 CYS C C 34 178.744 178.744 176.502 2.242 25230 1124 1 5 . 1 1 34 34 CYS CA C 34 65.538 65.538 62.462 3.076 25230 1125 1 5 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.201 0.552 25230 1126 1 5 . 1 1 34 34 CYS H H 34 8.265 8.265 8.333 -0.068 25230 1127 1 5 . 1 1 35 35 LEU N N 35 122.036 122.036 119.503 2.533 25230 1128 1 5 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.207 0.031 25230 1129 1 5 . 1 1 35 35 LEU C C 35 179.090 179.090 179.633 -0.543 25230 1130 1 5 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.701 -0.679 25230 1131 1 5 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.858 -0.690 25230 1132 1 5 . 1 1 35 35 LEU H H 35 8.764 8.764 8.103 0.661 25230 1133 1 5 . 1 1 36 36 ALA N N 36 121.371 121.371 120.426 0.945 25230 1134 1 5 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.064 -0.168 25230 1135 1 5 . 1 1 36 36 ALA C C 36 179.254 179.254 178.706 0.548 25230 1136 1 5 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.497 -0.257 25230 1137 1 5 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.815 -0.296 25230 1138 1 5 . 1 1 36 36 ALA H H 36 8.169 8.169 7.865 0.304 25230 1139 1 5 . 1 1 37 37 GLU N N 37 114.105 114.105 116.448 -2.343 25230 1140 1 5 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.374 -0.166 25230 1141 1 5 . 1 1 37 37 GLU C C 37 176.714 176.714 176.060 0.654 25230 1142 1 5 . 1 1 37 37 GLU CA C 37 55.830 55.830 55.870 -0.040 25230 1143 1 5 . 1 1 37 37 GLU CB C 37 29.922 29.922 29.988 -0.066 25230 1144 1 5 . 1 1 37 37 GLU H H 37 7.374 7.374 7.766 -0.392 25230 1145 1 5 . 1 1 38 38 SER N N 38 115.555 115.555 115.193 0.362 25230 1146 1 5 . 1 1 38 38 SER HA H 38 4.423 4.423 4.412 0.011 25230 1147 1 5 . 1 1 38 38 SER C C 38 176.119 176.119 175.536 0.583 25230 1148 1 5 . 1 1 38 38 SER CA C 38 58.229 58.229 58.641 -0.412 25230 1149 1 5 . 1 1 38 38 SER CB C 38 63.245 63.245 63.929 -0.684 25230 1150 1 5 . 1 1 38 38 SER H H 38 7.486 7.486 7.783 -0.297 25230 1151 1 5 . 1 1 39 39 THR N N 39 120.165 120.165 118.333 1.832 25230 1152 1 5 . 1 1 39 39 THR HA H 39 4.148 4.148 4.220 -0.072 25230 1153 1 5 . 1 1 39 39 THR C C 39 174.936 174.936 174.820 0.116 25230 1154 1 5 . 1 1 39 39 THR CA C 39 63.523 63.523 63.086 0.437 25230 1155 1 5 . 1 1 39 39 THR CB C 39 68.170 68.170 68.946 -0.776 25230 1156 1 5 . 1 1 39 39 THR H H 39 8.894 8.894 8.398 0.496 25230 1157 1 5 . 1 1 40 40 GLU N N 40 119.436 119.436 121.758 -2.322 25230 1158 1 5 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.571 -0.100 25230 1159 1 5 . 1 1 40 40 GLU C C 40 175.888 175.888 175.081 0.807 25230 1160 1 5 . 1 1 40 40 GLU CA C 40 54.035 54.035 55.015 -0.980 25230 1161 1 5 . 1 1 40 40 GLU CB C 40 31.340 31.340 31.775 -0.435 25230 1162 1 5 . 1 1 40 40 GLU H H 40 7.962 7.962 7.730 0.232 25230 1163 1 5 . 1 1 41 41 ASP N N 41 122.486 122.486 125.484 -2.998 25230 1164 1 5 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.759 -0.270 25230 1165 1 5 . 1 1 41 41 ASP C C 41 175.466 175.466 176.364 -0.898 25230 1166 1 5 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.412 -0.288 25230 1167 1 5 . 1 1 41 41 ASP CB C 41 39.747 39.747 40.082 -0.335 25230 1168 1 5 . 1 1 41 41 ASP H H 41 8.748 8.748 8.541 0.207 25230 1169 1 5 . 1 1 42 42 VAL N N 42 120.843 120.843 119.903 0.940 25230 1170 1 5 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.564 -0.257 25230 1171 1 5 . 1 1 42 42 VAL C C 42 174.810 174.810 175.182 -0.372 25230 1172 1 5 . 1 1 42 42 VAL CA C 42 61.108 61.108 60.692 0.416 25230 1173 1 5 . 1 1 42 42 VAL CB C 42 34.251 34.251 33.360 0.891 25230 1174 1 5 . 1 1 42 42 VAL H H 42 7.506 7.506 7.668 -0.162 25230 1175 1 5 . 1 1 43 43 THR N N 43 117.225 117.225 118.239 -1.014 25230 1176 1 5 . 1 1 43 43 THR HA H 43 4.310 4.310 4.598 -0.288 25230 1177 1 5 . 1 1 43 43 THR C C 43 172.690 172.690 173.233 -0.543 25230 1178 1 5 . 1 1 43 43 THR CA C 43 60.110 60.110 62.022 -1.912 25230 1179 1 5 . 1 1 43 43 THR CB C 43 70.453 70.453 69.231 1.222 25230 1180 1 5 . 1 1 43 43 THR H H 43 8.259 8.259 8.246 0.013 25230 1181 1 6 . 1 1 2 2 HIS C C 2 177.389 177.389 174.208 3.181 25230 1182 1 6 . 1 1 3 3 MET N N 3 122.082 122.082 123.285 -1.203 25230 1183 1 6 . 1 1 3 3 MET HA H 3 4.412 4.412 4.557 -0.145 25230 1184 1 6 . 1 1 3 3 MET C C 3 176.544 176.544 175.851 0.693 25230 1185 1 6 . 1 1 3 3 MET CA C 3 54.967 54.967 55.198 -0.231 25230 1186 1 6 . 1 1 3 3 MET CB C 3 31.913 31.913 34.456 -2.543 25230 1187 1 6 . 1 1 3 3 MET H H 3 8.448 8.448 8.529 -0.081 25230 1188 1 6 . 1 1 4 4 GLY N N 4 110.366 110.366 105.492 4.874 25230 1189 1 6 . 1 1 4 4 GLY C C 4 173.781 173.781 172.567 1.214 25230 1190 1 6 . 1 1 4 4 GLY CA C 4 44.584 44.584 44.799 -0.215 25230 1191 1 6 . 1 1 4 4 GLY H H 4 8.459 8.459 7.860 0.599 25230 1192 1 6 . 1 1 5 5 ALA N N 5 124.049 124.049 124.602 -0.553 25230 1193 1 6 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.748 -0.451 25230 1194 1 6 . 1 1 5 5 ALA C C 5 177.465 177.465 175.201 2.264 25230 1195 1 6 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.571 0.313 25230 1196 1 6 . 1 1 5 5 ALA CB C 5 18.921 18.921 20.365 -1.444 25230 1197 1 6 . 1 1 5 5 ALA H H 5 8.253 8.253 8.261 -0.008 25230 1198 1 6 . 1 1 6 6 ALA N N 6 123.132 123.132 124.455 -1.323 25230 1199 1 6 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.289 -0.008 25230 1200 1 6 . 1 1 6 6 ALA C C 6 177.249 177.249 176.203 1.046 25230 1201 1 6 . 1 1 6 6 ALA CA C 6 51.851 51.851 52.430 -0.579 25230 1202 1 6 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.676 -1.799 25230 1203 1 6 . 1 1 6 6 ALA H H 6 8.322 8.322 8.007 0.315 25230 1204 1 6 . 1 1 7 7 ALA N N 7 123.675 123.675 124.775 -1.100 25230 1205 1 6 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.234 0.029 25230 1206 1 6 . 1 1 7 7 ALA C C 7 177.348 177.348 177.343 0.005 25230 1207 1 6 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.950 -2.365 25230 1208 1 6 . 1 1 7 7 ALA CB C 7 18.799 18.799 18.796 0.003 25230 1209 1 6 . 1 1 7 7 ALA H H 7 8.231 8.231 8.328 -0.097 25230 1210 1 6 . 1 1 8 8 LEU N N 8 121.187 121.187 112.261 8.926 25230 1211 1 6 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.723 -0.334 25230 1212 1 6 . 1 1 8 8 LEU C C 8 177.090 177.090 175.395 1.695 25230 1213 1 6 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.430 0.104 25230 1214 1 6 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.770 -1.038 25230 1215 1 6 . 1 1 8 8 LEU H H 8 8.104 8.104 7.365 0.739 25230 1216 1 6 . 1 1 9 9 ARG N N 9 121.721 121.721 119.049 2.672 25230 1217 1 6 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.751 -0.265 25230 1218 1 6 . 1 1 9 9 ARG C C 9 176.109 176.109 174.851 1.258 25230 1219 1 6 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.099 -0.338 25230 1220 1 6 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.942 -1.263 25230 1221 1 6 . 1 1 9 9 ARG H H 9 8.797 8.797 8.704 0.093 25230 1222 1 6 . 1 1 10 10 SER N N 10 112.067 112.067 114.134 -2.067 25230 1223 1 6 . 1 1 10 10 SER HA H 10 4.265 4.265 4.254 0.011 25230 1224 1 6 . 1 1 10 10 SER C C 10 178.260 178.260 173.556 4.704 25230 1225 1 6 . 1 1 10 10 SER CA C 10 55.374 55.374 57.173 -1.799 25230 1226 1 6 . 1 1 10 10 SER CB C 10 64.945 64.945 65.067 -0.122 25230 1227 1 6 . 1 1 10 10 SER H H 10 7.555 7.555 7.785 -0.230 25230 1228 1 6 . 1 1 11 11 CYS N N 11 124.756 124.756 125.719 -0.963 25230 1229 1 6 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.305 -0.107 25230 1230 1 6 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.561 -1.680 25230 1231 1 6 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.055 3.747 25230 1232 1 6 . 1 1 11 11 CYS H H 11 7.980 7.980 7.550 0.430 25230 1233 1 6 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.205 0.084 25230 1234 1 6 . 1 1 12 12 PRO C C 12 176.179 176.179 176.269 -0.090 25230 1235 1 6 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.591 -0.700 25230 1236 1 6 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.403 0.396 25230 1237 1 6 . 1 1 13 13 MET N N 13 119.495 119.495 117.928 1.567 25230 1238 1 6 . 1 1 13 13 MET HA H 13 4.258 4.258 4.300 -0.042 25230 1239 1 6 . 1 1 13 13 MET C C 13 176.255 176.255 176.673 -0.418 25230 1240 1 6 . 1 1 13 13 MET CA C 13 57.472 57.472 57.574 -0.102 25230 1241 1 6 . 1 1 13 13 MET CB C 13 33.892 33.892 33.660 0.232 25230 1242 1 6 . 1 1 13 13 MET H H 13 8.777 8.777 7.807 0.970 25230 1243 1 6 . 1 1 14 14 CYS N N 14 118.342 118.342 115.595 2.747 25230 1244 1 6 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.806 0.077 25230 1245 1 6 . 1 1 14 14 CYS C C 14 176.154 176.154 174.618 1.536 25230 1246 1 6 . 1 1 14 14 CYS CA C 14 58.426 58.426 56.960 1.466 25230 1247 1 6 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.125 3.069 25230 1248 1 6 . 1 1 14 14 CYS H H 14 8.280 8.280 7.772 0.508 25230 1249 1 6 . 1 1 15 15 GLN N N 15 115.275 115.275 120.606 -5.331 25230 1250 1 6 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.839 0.052 25230 1251 1 6 . 1 1 15 15 GLN C C 15 174.702 174.702 174.052 0.650 25230 1252 1 6 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.809 0.638 25230 1253 1 6 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.581 -1.595 25230 1254 1 6 . 1 1 15 15 GLN H H 15 7.680 7.680 8.130 -0.450 25230 1255 1 6 . 1 1 16 16 LYS N N 16 123.016 123.016 121.063 1.953 25230 1256 1 6 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.320 -0.435 25230 1257 1 6 . 1 1 16 16 LYS C C 16 175.463 175.463 175.329 0.134 25230 1258 1 6 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.860 1.963 25230 1259 1 6 . 1 1 16 16 LYS CB C 16 32.909 32.909 34.027 -1.118 25230 1260 1 6 . 1 1 16 16 LYS H H 16 8.187 8.187 7.377 0.810 25230 1261 1 6 . 1 1 17 17 GLU N N 17 124.246 124.246 128.489 -4.243 25230 1262 1 6 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.995 -0.143 25230 1263 1 6 . 1 1 17 17 GLU CA C 17 55.638 55.638 56.858 -1.220 25230 1264 1 6 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.512 0.610 25230 1265 1 6 . 1 1 17 17 GLU H H 17 8.422 8.422 8.655 -0.233 25230 1266 1 6 . 1 1 18 18 PHE N N 18 124.027 124.027 125.810 -1.783 25230 1267 1 6 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.254 0.406 25230 1268 1 6 . 1 1 18 18 PHE CA C 18 54.443 54.443 58.618 -4.175 25230 1269 1 6 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.477 -1.808 25230 1270 1 6 . 1 1 18 18 PHE H H 18 7.998 7.998 7.686 0.312 25230 1271 1 6 . 1 1 19 19 ALA N N 19 129.037 129.037 125.440 3.597 25230 1272 1 6 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.560 -0.046 25230 1273 1 6 . 1 1 19 19 ALA C C 19 176.379 176.379 176.092 0.287 25230 1274 1 6 . 1 1 19 19 ALA CA C 19 50.459 50.459 50.534 -0.075 25230 1275 1 6 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.430 -1.288 25230 1276 1 6 . 1 1 19 19 ALA H H 19 8.304 8.304 8.576 -0.272 25230 1277 1 6 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.427 -0.127 25230 1278 1 6 . 1 1 20 20 PRO C C 20 176.955 176.955 176.335 0.620 25230 1279 1 6 . 1 1 20 20 PRO CA C 20 64.247 64.247 63.017 1.230 25230 1280 1 6 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.597 -1.145 25230 1281 1 6 . 1 1 21 21 ARG N N 21 111.617 111.617 111.719 -0.102 25230 1282 1 6 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.997 0.166 25230 1283 1 6 . 1 1 21 21 ARG C C 21 176.779 176.779 176.090 0.689 25230 1284 1 6 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.043 -1.338 25230 1285 1 6 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.567 1.059 25230 1286 1 6 . 1 1 21 21 ARG H H 21 7.599 7.599 8.418 -0.819 25230 1287 1 6 . 1 1 22 22 LEU N N 22 121.114 121.114 115.391 5.723 25230 1288 1 6 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.469 -0.150 25230 1289 1 6 . 1 1 22 22 LEU C C 22 177.933 177.933 176.624 1.309 25230 1290 1 6 . 1 1 22 22 LEU CA C 22 55.270 55.270 54.987 0.283 25230 1291 1 6 . 1 1 22 22 LEU CB C 22 41.182 41.182 41.742 -0.560 25230 1292 1 6 . 1 1 22 22 LEU H H 22 7.512 7.512 7.541 -0.029 25230 1293 1 6 . 1 1 23 23 THR N N 23 114.258 114.258 105.746 8.512 25230 1294 1 6 . 1 1 23 23 THR HA H 23 4.360 4.360 4.684 -0.324 25230 1295 1 6 . 1 1 23 23 THR C C 23 175.139 175.139 175.304 -0.165 25230 1296 1 6 . 1 1 23 23 THR CA C 23 59.968 59.968 59.779 0.189 25230 1297 1 6 . 1 1 23 23 THR CB C 23 70.887 70.887 71.605 -0.718 25230 1298 1 6 . 1 1 23 23 THR H H 23 9.058 9.058 7.884 1.174 25230 1299 1 6 . 1 1 24 24 GLN N N 24 120.754 120.754 119.612 1.142 25230 1300 1 6 . 1 1 24 24 GLN HA H 24 3.713 3.713 4.004 -0.291 25230 1301 1 6 . 1 1 24 24 GLN C C 24 177.591 177.591 178.319 -0.728 25230 1302 1 6 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.677 -1.393 25230 1303 1 6 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.241 -0.035 25230 1304 1 6 . 1 1 24 24 GLN H H 24 8.835 8.835 8.813 0.021 25230 1305 1 6 . 1 1 25 25 LEU N N 25 118.814 118.814 119.056 -0.242 25230 1306 1 6 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.223 -0.081 25230 1307 1 6 . 1 1 25 25 LEU C C 25 178.984 178.984 178.217 0.767 25230 1308 1 6 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.532 0.279 25230 1309 1 6 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.290 0.149 25230 1310 1 6 . 1 1 25 25 LEU H H 25 7.899 7.899 8.012 -0.113 25230 1311 1 6 . 1 1 26 26 ASP N N 26 120.208 120.208 120.043 0.165 25230 1312 1 6 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.374 -0.163 25230 1313 1 6 . 1 1 26 26 ASP C C 26 179.490 179.490 178.304 1.186 25230 1314 1 6 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.496 -0.677 25230 1315 1 6 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.570 0.654 25230 1316 1 6 . 1 1 26 26 ASP H H 26 7.553 7.553 7.787 -0.234 25230 1317 1 6 . 1 1 27 27 VAL N N 27 123.015 123.015 117.638 5.377 25230 1318 1 6 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.842 -0.035 25230 1319 1 6 . 1 1 27 27 VAL C C 27 177.068 177.068 177.749 -0.681 25230 1320 1 6 . 1 1 27 27 VAL CA C 27 66.385 66.385 65.556 0.829 25230 1321 1 6 . 1 1 27 27 VAL CB C 27 30.940 30.940 30.659 0.281 25230 1322 1 6 . 1 1 27 27 VAL H H 27 7.880 7.880 7.594 0.286 25230 1323 1 6 . 1 1 28 28 ASP N N 28 120.893 120.893 120.253 0.640 25230 1324 1 6 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.486 -0.450 25230 1325 1 6 . 1 1 28 28 ASP C C 28 177.819 177.819 179.070 -1.251 25230 1326 1 6 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.275 0.221 25230 1327 1 6 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.195 -0.635 25230 1328 1 6 . 1 1 28 28 ASP H H 28 8.369 8.369 7.770 0.599 25230 1329 1 6 . 1 1 29 29 SER N N 29 112.819 112.819 116.615 -3.796 25230 1330 1 6 . 1 1 29 29 SER C C 29 177.067 177.067 176.511 0.556 25230 1331 1 6 . 1 1 29 29 SER CB C 29 62.305 62.305 63.300 -0.995 25230 1332 1 6 . 1 1 29 29 SER H H 29 7.894 7.894 8.317 -0.423 25230 1333 1 6 . 1 1 30 30 HIS N N 30 120.983 120.983 121.313 -0.330 25230 1334 1 6 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.399 -0.362 25230 1335 1 6 . 1 1 30 30 HIS C C 30 177.079 177.079 177.478 -0.399 25230 1336 1 6 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.414 0.727 25230 1337 1 6 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.222 -3.136 25230 1338 1 6 . 1 1 30 30 HIS H H 30 7.619 7.619 7.649 -0.029 25230 1339 1 6 . 1 1 31 31 LEU N N 31 118.614 118.614 119.567 -0.953 25230 1340 1 6 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.154 -0.426 25230 1341 1 6 . 1 1 31 31 LEU C C 31 178.111 178.111 179.172 -1.061 25230 1342 1 6 . 1 1 31 31 LEU CA C 31 57.531 57.531 57.790 -0.259 25230 1343 1 6 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.922 -0.259 25230 1344 1 6 . 1 1 31 31 LEU H H 31 8.657 8.657 8.186 0.471 25230 1345 1 6 . 1 1 32 32 ALA N N 32 119.459 119.459 121.215 -1.756 25230 1346 1 6 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.088 -0.321 25230 1347 1 6 . 1 1 32 32 ALA C C 32 178.082 178.082 179.131 -1.049 25230 1348 1 6 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.564 -0.963 25230 1349 1 6 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.184 -0.330 25230 1350 1 6 . 1 1 32 32 ALA H H 32 8.296 8.296 8.140 0.156 25230 1351 1 6 . 1 1 33 33 GLN N N 33 117.648 117.648 118.322 -0.674 25230 1352 1 6 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.147 -0.269 25230 1353 1 6 . 1 1 33 33 GLN C C 33 178.653 178.653 178.147 0.506 25230 1354 1 6 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.316 0.161 25230 1355 1 6 . 1 1 33 33 GLN CB C 33 27.623 27.623 27.853 -0.230 25230 1356 1 6 . 1 1 33 33 GLN H H 33 7.537 7.537 7.800 -0.263 25230 1357 1 6 . 1 1 34 34 CYS N N 34 119.676 119.676 118.709 0.967 25230 1358 1 6 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.308 -0.460 25230 1359 1 6 . 1 1 34 34 CYS C C 34 178.744 178.744 176.968 1.776 25230 1360 1 6 . 1 1 34 34 CYS CA C 34 65.538 65.538 62.345 3.193 25230 1361 1 6 . 1 1 34 34 CYS CB C 34 26.753 26.753 25.969 0.784 25230 1362 1 6 . 1 1 34 34 CYS H H 34 8.265 8.265 8.639 -0.374 25230 1363 1 6 . 1 1 35 35 LEU N N 35 122.036 122.036 122.138 -0.102 25230 1364 1 6 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.438 -0.200 25230 1365 1 6 . 1 1 35 35 LEU C C 35 179.090 179.090 177.884 1.206 25230 1366 1 6 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.061 -0.039 25230 1367 1 6 . 1 1 35 35 LEU CB C 35 41.168 41.168 42.276 -1.108 25230 1368 1 6 . 1 1 35 35 LEU H H 35 8.764 8.764 7.370 1.394 25230 1369 1 6 . 1 1 36 36 ALA N N 36 121.371 121.371 120.110 1.261 25230 1370 1 6 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.174 -0.278 25230 1371 1 6 . 1 1 36 36 ALA C C 36 179.254 179.254 178.510 0.744 25230 1372 1 6 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.148 0.092 25230 1373 1 6 . 1 1 36 36 ALA CB C 36 18.519 18.519 19.141 -0.622 25230 1374 1 6 . 1 1 36 36 ALA H H 36 8.169 8.169 7.973 0.196 25230 1375 1 6 . 1 1 37 37 GLU N N 37 114.105 114.105 118.490 -4.385 25230 1376 1 6 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.309 -0.101 25230 1377 1 6 . 1 1 37 37 GLU C C 37 176.714 176.714 176.996 -0.282 25230 1378 1 6 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.027 -0.197 25230 1379 1 6 . 1 1 37 37 GLU CB C 37 29.922 29.922 29.838 0.084 25230 1380 1 6 . 1 1 37 37 GLU H H 37 7.374 7.374 8.313 -0.939 25230 1381 1 6 . 1 1 38 38 SER N N 38 115.555 115.555 115.854 -0.299 25230 1382 1 6 . 1 1 38 38 SER HA H 38 4.423 4.423 4.407 0.016 25230 1383 1 6 . 1 1 38 38 SER C C 38 176.119 176.119 175.057 1.062 25230 1384 1 6 . 1 1 38 38 SER CA C 38 58.229 58.229 58.542 -0.313 25230 1385 1 6 . 1 1 38 38 SER CB C 38 63.245 63.245 64.501 -1.256 25230 1386 1 6 . 1 1 38 38 SER H H 38 7.486 7.486 7.456 0.030 25230 1387 1 6 . 1 1 39 39 THR N N 39 120.165 120.165 113.440 6.725 25230 1388 1 6 . 1 1 39 39 THR HA H 39 4.148 4.148 4.507 -0.359 25230 1389 1 6 . 1 1 39 39 THR C C 39 174.936 174.936 174.142 0.794 25230 1390 1 6 . 1 1 39 39 THR CA C 39 63.523 63.523 62.493 1.030 25230 1391 1 6 . 1 1 39 39 THR CB C 39 68.170 68.170 68.971 -0.800 25230 1392 1 6 . 1 1 39 39 THR H H 39 8.894 8.894 8.386 0.508 25230 1393 1 6 . 1 1 40 40 GLU N N 40 119.436 119.436 122.277 -2.841 25230 1394 1 6 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.612 -0.141 25230 1395 1 6 . 1 1 40 40 GLU C C 40 175.888 175.888 174.985 0.903 25230 1396 1 6 . 1 1 40 40 GLU CA C 40 54.035 54.035 55.806 -1.771 25230 1397 1 6 . 1 1 40 40 GLU CB C 40 31.340 31.340 32.026 -0.686 25230 1398 1 6 . 1 1 40 40 GLU H H 40 7.962 7.962 7.811 0.151 25230 1399 1 6 . 1 1 41 41 ASP N N 41 122.486 122.486 122.141 0.345 25230 1400 1 6 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.886 -0.397 25230 1401 1 6 . 1 1 41 41 ASP C C 41 175.466 175.466 175.234 0.232 25230 1402 1 6 . 1 1 41 41 ASP CA C 41 54.124 54.124 53.800 0.324 25230 1403 1 6 . 1 1 41 41 ASP CB C 41 39.747 39.747 40.500 -0.753 25230 1404 1 6 . 1 1 41 41 ASP H H 41 8.748 8.748 8.667 0.081 25230 1405 1 6 . 1 1 42 42 VAL N N 42 120.843 120.843 119.241 1.602 25230 1406 1 6 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.388 -0.081 25230 1407 1 6 . 1 1 42 42 VAL C C 42 174.810 174.810 176.025 -1.215 25230 1408 1 6 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.452 -0.344 25230 1409 1 6 . 1 1 42 42 VAL CB C 42 34.251 34.251 32.602 1.649 25230 1410 1 6 . 1 1 42 42 VAL H H 42 7.506 7.506 7.764 -0.258 25230 1411 1 6 . 1 1 43 43 THR N N 43 117.225 117.225 123.374 -6.149 25230 1412 1 6 . 1 1 43 43 THR HA H 43 4.310 4.310 4.565 -0.255 25230 1413 1 6 . 1 1 43 43 THR C C 43 172.690 172.690 173.595 -0.905 25230 1414 1 6 . 1 1 43 43 THR CA C 43 60.110 60.110 62.210 -2.100 25230 1415 1 6 . 1 1 43 43 THR CB C 43 70.453 70.453 69.074 1.379 25230 1416 1 6 . 1 1 43 43 THR H H 43 8.259 8.259 8.399 -0.140 25230 1417 1 7 . 1 1 2 2 HIS C C 2 177.389 177.389 174.402 2.987 25230 1418 1 7 . 1 1 3 3 MET N N 3 122.082 122.082 122.653 -0.571 25230 1419 1 7 . 1 1 3 3 MET HA H 3 4.412 4.412 4.288 0.124 25230 1420 1 7 . 1 1 3 3 MET C C 3 176.544 176.544 175.948 0.596 25230 1421 1 7 . 1 1 3 3 MET CA C 3 54.967 54.967 55.156 -0.189 25230 1422 1 7 . 1 1 3 3 MET CB C 3 31.913 31.913 31.150 0.763 25230 1423 1 7 . 1 1 3 3 MET H H 3 8.448 8.448 8.210 0.238 25230 1424 1 7 . 1 1 4 4 GLY N N 4 110.366 110.366 109.238 1.128 25230 1425 1 7 . 1 1 4 4 GLY C C 4 173.781 173.781 172.938 0.843 25230 1426 1 7 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.414 -0.830 25230 1427 1 7 . 1 1 4 4 GLY H H 4 8.459 8.459 8.011 0.448 25230 1428 1 7 . 1 1 5 5 ALA N N 5 124.049 124.049 126.976 -2.927 25230 1429 1 7 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.787 -0.490 25230 1430 1 7 . 1 1 5 5 ALA C C 5 177.465 177.465 175.455 2.010 25230 1431 1 7 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.024 0.860 25230 1432 1 7 . 1 1 5 5 ALA CB C 5 18.921 18.921 18.350 0.571 25230 1433 1 7 . 1 1 5 5 ALA H H 5 8.253 8.253 8.528 -0.275 25230 1434 1 7 . 1 1 6 6 ALA N N 6 123.132 123.132 123.149 -0.017 25230 1435 1 7 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.381 -0.100 25230 1436 1 7 . 1 1 6 6 ALA C C 6 177.249 177.249 176.221 1.028 25230 1437 1 7 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.849 0.002 25230 1438 1 7 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.631 -1.754 25230 1439 1 7 . 1 1 6 6 ALA H H 6 8.322 8.322 7.428 0.894 25230 1440 1 7 . 1 1 7 7 ALA N N 7 123.675 123.675 121.275 2.400 25230 1441 1 7 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.250 0.013 25230 1442 1 7 . 1 1 7 7 ALA C C 7 177.348 177.348 177.305 0.043 25230 1443 1 7 . 1 1 7 7 ALA CA C 7 51.585 51.585 54.107 -2.522 25230 1444 1 7 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.075 -0.276 25230 1445 1 7 . 1 1 7 7 ALA H H 7 8.231 8.231 8.403 -0.172 25230 1446 1 7 . 1 1 8 8 LEU N N 8 121.187 121.187 115.829 5.358 25230 1447 1 7 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.645 -0.256 25230 1448 1 7 . 1 1 8 8 LEU C C 8 177.090 177.090 176.125 0.965 25230 1449 1 7 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.118 0.416 25230 1450 1 7 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.858 -1.127 25230 1451 1 7 . 1 1 8 8 LEU H H 8 8.104 8.104 7.414 0.690 25230 1452 1 7 . 1 1 9 9 ARG N N 9 121.721 121.721 120.380 1.341 25230 1453 1 7 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.509 -0.023 25230 1454 1 7 . 1 1 9 9 ARG C C 9 176.109 176.109 174.919 1.190 25230 1455 1 7 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.082 -0.321 25230 1456 1 7 . 1 1 9 9 ARG CB C 9 30.679 30.679 30.954 -0.275 25230 1457 1 7 . 1 1 9 9 ARG H H 9 8.797 8.797 8.666 0.131 25230 1458 1 7 . 1 1 10 10 SER N N 10 112.067 112.067 114.514 -2.447 25230 1459 1 7 . 1 1 10 10 SER HA H 10 4.265 4.265 4.152 0.113 25230 1460 1 7 . 1 1 10 10 SER C C 10 178.260 178.260 173.270 4.990 25230 1461 1 7 . 1 1 10 10 SER CA C 10 55.374 55.374 57.020 -1.646 25230 1462 1 7 . 1 1 10 10 SER CB C 10 64.945 64.945 65.144 -0.199 25230 1463 1 7 . 1 1 10 10 SER H H 10 7.555 7.555 7.668 -0.113 25230 1464 1 7 . 1 1 11 11 CYS N N 11 124.756 124.756 125.715 -0.959 25230 1465 1 7 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.261 -0.063 25230 1466 1 7 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.790 -1.909 25230 1467 1 7 . 1 1 11 11 CYS CB C 11 30.802 30.802 26.815 3.987 25230 1468 1 7 . 1 1 11 11 CYS H H 11 7.980 7.980 7.634 0.346 25230 1469 1 7 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.246 0.043 25230 1470 1 7 . 1 1 12 12 PRO C C 12 176.179 176.179 176.070 0.109 25230 1471 1 7 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.690 -0.799 25230 1472 1 7 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.444 0.355 25230 1473 1 7 . 1 1 13 13 MET N N 13 119.495 119.495 117.530 1.965 25230 1474 1 7 . 1 1 13 13 MET HA H 13 4.258 4.258 4.427 -0.169 25230 1475 1 7 . 1 1 13 13 MET C C 13 176.255 176.255 176.912 -0.657 25230 1476 1 7 . 1 1 13 13 MET CA C 13 57.472 57.472 57.335 0.137 25230 1477 1 7 . 1 1 13 13 MET CB C 13 33.892 33.892 33.560 0.332 25230 1478 1 7 . 1 1 13 13 MET H H 13 8.777 8.777 7.817 0.960 25230 1479 1 7 . 1 1 14 14 CYS N N 14 118.342 118.342 115.775 2.567 25230 1480 1 7 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.838 0.045 25230 1481 1 7 . 1 1 14 14 CYS C C 14 176.154 176.154 174.484 1.670 25230 1482 1 7 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.250 1.176 25230 1483 1 7 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.145 3.049 25230 1484 1 7 . 1 1 14 14 CYS H H 14 8.280 8.280 7.678 0.602 25230 1485 1 7 . 1 1 15 15 GLN N N 15 115.275 115.275 120.122 -4.847 25230 1486 1 7 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.823 0.068 25230 1487 1 7 . 1 1 15 15 GLN C C 15 174.702 174.702 173.920 0.782 25230 1488 1 7 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.774 0.672 25230 1489 1 7 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.869 -1.883 25230 1490 1 7 . 1 1 15 15 GLN H H 15 7.680 7.680 8.038 -0.358 25230 1491 1 7 . 1 1 16 16 LYS N N 16 123.016 123.016 121.916 1.100 25230 1492 1 7 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.393 -0.508 25230 1493 1 7 . 1 1 16 16 LYS C C 16 175.463 175.463 175.520 -0.057 25230 1494 1 7 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.843 1.980 25230 1495 1 7 . 1 1 16 16 LYS CB C 16 32.909 32.909 33.775 -0.866 25230 1496 1 7 . 1 1 16 16 LYS H H 16 8.187 8.187 7.368 0.819 25230 1497 1 7 . 1 1 17 17 GLU N N 17 124.246 124.246 128.552 -4.306 25230 1498 1 7 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.971 -0.119 25230 1499 1 7 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.181 -1.543 25230 1500 1 7 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.007 1.115 25230 1501 1 7 . 1 1 17 17 GLU H H 17 8.422 8.422 8.701 -0.279 25230 1502 1 7 . 1 1 18 18 PHE N N 18 124.027 124.027 124.175 -0.148 25230 1503 1 7 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.256 0.404 25230 1504 1 7 . 1 1 18 18 PHE CA C 18 54.443 54.443 58.197 -3.754 25230 1505 1 7 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.224 -1.555 25230 1506 1 7 . 1 1 18 18 PHE H H 18 7.998 7.998 7.466 0.532 25230 1507 1 7 . 1 1 19 19 ALA N N 19 129.037 129.037 125.384 3.653 25230 1508 1 7 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.345 0.169 25230 1509 1 7 . 1 1 19 19 ALA C C 19 176.379 176.379 175.828 0.551 25230 1510 1 7 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.275 -0.816 25230 1511 1 7 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.073 -0.931 25230 1512 1 7 . 1 1 19 19 ALA H H 19 8.304 8.304 8.601 -0.297 25230 1513 1 7 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.420 -0.120 25230 1514 1 7 . 1 1 20 20 PRO C C 20 176.955 176.955 176.506 0.449 25230 1515 1 7 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.710 1.537 25230 1516 1 7 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.533 -1.081 25230 1517 1 7 . 1 1 21 21 ARG N N 21 111.617 111.617 113.688 -2.071 25230 1518 1 7 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.919 0.244 25230 1519 1 7 . 1 1 21 21 ARG C C 21 176.779 176.779 175.181 1.598 25230 1520 1 7 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.234 -1.529 25230 1521 1 7 . 1 1 21 21 ARG CB C 21 28.626 28.626 28.067 0.559 25230 1522 1 7 . 1 1 21 21 ARG H H 21 7.599 7.599 8.544 -0.945 25230 1523 1 7 . 1 1 22 22 LEU N N 22 121.114 121.114 115.167 5.947 25230 1524 1 7 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.622 -0.303 25230 1525 1 7 . 1 1 22 22 LEU C C 22 177.933 177.933 176.465 1.468 25230 1526 1 7 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.701 1.569 25230 1527 1 7 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.856 -1.674 25230 1528 1 7 . 1 1 22 22 LEU H H 22 7.512 7.512 7.729 -0.217 25230 1529 1 7 . 1 1 23 23 THR N N 23 114.258 114.258 105.569 8.689 25230 1530 1 7 . 1 1 23 23 THR HA H 23 4.360 4.360 4.642 -0.282 25230 1531 1 7 . 1 1 23 23 THR C C 23 175.139 175.139 175.092 0.047 25230 1532 1 7 . 1 1 23 23 THR CA C 23 59.968 59.968 59.378 0.590 25230 1533 1 7 . 1 1 23 23 THR CB C 23 70.887 70.887 71.382 -0.494 25230 1534 1 7 . 1 1 23 23 THR H H 23 9.058 9.058 7.736 1.322 25230 1535 1 7 . 1 1 24 24 GLN N N 24 120.754 120.754 120.107 0.647 25230 1536 1 7 . 1 1 24 24 GLN HA H 24 3.713 3.713 4.083 -0.370 25230 1537 1 7 . 1 1 24 24 GLN C C 24 177.591 177.591 178.100 -0.509 25230 1538 1 7 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.223 -0.939 25230 1539 1 7 . 1 1 24 24 GLN CB C 24 28.206 28.206 27.980 0.226 25230 1540 1 7 . 1 1 24 24 GLN H H 24 8.835 8.835 8.915 -0.080 25230 1541 1 7 . 1 1 25 25 LEU N N 25 118.814 118.814 118.873 -0.059 25230 1542 1 7 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.171 -0.029 25230 1543 1 7 . 1 1 25 25 LEU C C 25 178.984 178.984 178.287 0.697 25230 1544 1 7 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.668 0.143 25230 1545 1 7 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.449 -0.010 25230 1546 1 7 . 1 1 25 25 LEU H H 25 7.899 7.899 7.969 -0.070 25230 1547 1 7 . 1 1 26 26 ASP N N 26 120.208 120.208 119.890 0.318 25230 1548 1 7 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.288 -0.077 25230 1549 1 7 . 1 1 26 26 ASP C C 26 179.490 179.490 178.233 1.257 25230 1550 1 7 . 1 1 26 26 ASP CA C 26 56.819 56.819 58.217 -1.398 25230 1551 1 7 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.747 0.477 25230 1552 1 7 . 1 1 26 26 ASP H H 26 7.553 7.553 7.749 -0.196 25230 1553 1 7 . 1 1 27 27 VAL N N 27 123.015 123.015 117.568 5.447 25230 1554 1 7 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.672 0.135 25230 1555 1 7 . 1 1 27 27 VAL C C 27 177.068 177.068 177.612 -0.544 25230 1556 1 7 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.302 0.083 25230 1557 1 7 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.055 -0.115 25230 1558 1 7 . 1 1 27 27 VAL H H 27 7.880 7.880 7.510 0.370 25230 1559 1 7 . 1 1 28 28 ASP N N 28 120.893 120.893 120.022 0.871 25230 1560 1 7 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.498 -0.462 25230 1561 1 7 . 1 1 28 28 ASP C C 28 177.819 177.819 179.092 -1.273 25230 1562 1 7 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.137 0.359 25230 1563 1 7 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.113 -0.553 25230 1564 1 7 . 1 1 28 28 ASP H H 28 8.369 8.369 7.823 0.546 25230 1565 1 7 . 1 1 29 29 SER N N 29 112.819 112.819 116.382 -3.563 25230 1566 1 7 . 1 1 29 29 SER C C 29 177.067 177.067 176.568 0.499 25230 1567 1 7 . 1 1 29 29 SER CB C 29 62.305 62.305 63.278 -0.973 25230 1568 1 7 . 1 1 29 29 SER H H 29 7.894 7.894 8.243 -0.349 25230 1569 1 7 . 1 1 30 30 HIS N N 30 120.983 120.983 121.705 -0.722 25230 1570 1 7 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.452 -0.415 25230 1571 1 7 . 1 1 30 30 HIS C C 30 177.079 177.079 177.741 -0.662 25230 1572 1 7 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.070 1.071 25230 1573 1 7 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.127 -3.041 25230 1574 1 7 . 1 1 30 30 HIS H H 30 7.619 7.619 7.587 0.032 25230 1575 1 7 . 1 1 31 31 LEU N N 31 118.614 118.614 120.048 -1.434 25230 1576 1 7 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.135 -0.407 25230 1577 1 7 . 1 1 31 31 LEU C C 31 178.111 178.111 179.118 -1.007 25230 1578 1 7 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.062 -0.531 25230 1579 1 7 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.826 -0.163 25230 1580 1 7 . 1 1 31 31 LEU H H 31 8.657 8.657 8.278 0.379 25230 1581 1 7 . 1 1 32 32 ALA N N 32 119.459 119.459 120.414 -0.955 25230 1582 1 7 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.090 -0.323 25230 1583 1 7 . 1 1 32 32 ALA C C 32 178.082 178.082 179.656 -1.574 25230 1584 1 7 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.194 -0.593 25230 1585 1 7 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.173 -0.319 25230 1586 1 7 . 1 1 32 32 ALA H H 32 8.296 8.296 8.138 0.158 25230 1587 1 7 . 1 1 33 33 GLN N N 33 117.648 117.648 118.631 -0.983 25230 1588 1 7 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.020 -0.142 25230 1589 1 7 . 1 1 33 33 GLN C C 33 178.653 178.653 178.205 0.448 25230 1590 1 7 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.534 -0.057 25230 1591 1 7 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.700 -1.077 25230 1592 1 7 . 1 1 33 33 GLN H H 33 7.537 7.537 7.599 -0.062 25230 1593 1 7 . 1 1 34 34 CYS N N 34 119.676 119.676 119.538 0.138 25230 1594 1 7 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.093 -0.245 25230 1595 1 7 . 1 1 34 34 CYS C C 34 178.744 178.744 177.959 0.785 25230 1596 1 7 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.375 2.163 25230 1597 1 7 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.325 0.429 25230 1598 1 7 . 1 1 34 34 CYS H H 34 8.265 8.265 8.523 -0.258 25230 1599 1 7 . 1 1 35 35 LEU N N 35 122.036 122.036 121.007 1.029 25230 1600 1 7 . 1 1 35 35 LEU HA H 35 4.238 4.238 3.919 0.319 25230 1601 1 7 . 1 1 35 35 LEU C C 35 179.090 179.090 179.455 -0.365 25230 1602 1 7 . 1 1 35 35 LEU CA C 35 57.022 57.022 58.079 -1.057 25230 1603 1 7 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.589 -0.421 25230 1604 1 7 . 1 1 35 35 LEU H H 35 8.764 8.764 7.776 0.988 25230 1605 1 7 . 1 1 36 36 ALA N N 36 121.371 121.371 120.216 1.155 25230 1606 1 7 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.094 -0.198 25230 1607 1 7 . 1 1 36 36 ALA C C 36 179.254 179.254 178.614 0.640 25230 1608 1 7 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.373 -0.133 25230 1609 1 7 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.632 -0.113 25230 1610 1 7 . 1 1 36 36 ALA H H 36 8.169 8.169 7.832 0.337 25230 1611 1 7 . 1 1 37 37 GLU N N 37 114.105 114.105 115.869 -1.764 25230 1612 1 7 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.453 -0.245 25230 1613 1 7 . 1 1 37 37 GLU C C 37 176.714 176.714 175.794 0.920 25230 1614 1 7 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.064 -0.234 25230 1615 1 7 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.319 -0.397 25230 1616 1 7 . 1 1 37 37 GLU H H 37 7.374 7.374 7.961 -0.587 25230 1617 1 7 . 1 1 38 38 SER N N 38 115.555 115.555 114.556 0.999 25230 1618 1 7 . 1 1 38 38 SER HA H 38 4.423 4.423 4.617 -0.194 25230 1619 1 7 . 1 1 38 38 SER C C 38 176.119 176.119 173.782 2.337 25230 1620 1 7 . 1 1 38 38 SER CA C 38 58.229 58.229 57.387 0.842 25230 1621 1 7 . 1 1 38 38 SER CB C 38 63.245 63.245 64.738 -1.493 25230 1622 1 7 . 1 1 38 38 SER H H 38 7.486 7.486 7.980 -0.494 25230 1623 1 7 . 1 1 39 39 THR N N 39 120.165 120.165 115.046 5.119 25230 1624 1 7 . 1 1 39 39 THR HA H 39 4.148 4.148 4.570 -0.422 25230 1625 1 7 . 1 1 39 39 THR C C 39 174.936 174.936 175.263 -0.327 25230 1626 1 7 . 1 1 39 39 THR CA C 39 63.523 63.523 62.690 0.833 25230 1627 1 7 . 1 1 39 39 THR CB C 39 68.170 68.170 69.222 -1.052 25230 1628 1 7 . 1 1 39 39 THR H H 39 8.894 8.894 8.286 0.608 25230 1629 1 7 . 1 1 40 40 GLU N N 40 119.436 119.436 121.967 -2.531 25230 1630 1 7 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.153 0.318 25230 1631 1 7 . 1 1 40 40 GLU C C 40 175.888 175.888 176.262 -0.374 25230 1632 1 7 . 1 1 40 40 GLU CA C 40 54.035 54.035 57.681 -3.647 25230 1633 1 7 . 1 1 40 40 GLU CB C 40 31.340 31.340 29.770 1.570 25230 1634 1 7 . 1 1 40 40 GLU H H 40 7.962 7.962 8.036 -0.074 25230 1635 1 7 . 1 1 41 41 ASP N N 41 122.486 122.486 118.525 3.961 25230 1636 1 7 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.528 -0.039 25230 1637 1 7 . 1 1 41 41 ASP C C 41 175.466 175.466 175.104 0.362 25230 1638 1 7 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.270 -0.145 25230 1639 1 7 . 1 1 41 41 ASP CB C 41 39.747 39.747 40.011 -0.265 25230 1640 1 7 . 1 1 41 41 ASP H H 41 8.748 8.748 8.501 0.247 25230 1641 1 7 . 1 1 42 42 VAL N N 42 120.843 120.843 114.618 6.225 25230 1642 1 7 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.289 0.018 25230 1643 1 7 . 1 1 42 42 VAL C C 42 174.810 174.810 176.051 -1.241 25230 1644 1 7 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.420 -0.312 25230 1645 1 7 . 1 1 42 42 VAL CB C 42 34.251 34.251 32.386 1.865 25230 1646 1 7 . 1 1 42 42 VAL H H 42 7.506 7.506 7.867 -0.361 25230 1647 1 7 . 1 1 43 43 THR N N 43 117.225 117.225 119.236 -2.011 25230 1648 1 7 . 1 1 43 43 THR HA H 43 4.310 4.310 4.580 -0.270 25230 1649 1 7 . 1 1 43 43 THR C C 43 172.690 172.690 173.843 -1.153 25230 1650 1 7 . 1 1 43 43 THR CA C 43 60.110 60.110 62.184 -2.074 25230 1651 1 7 . 1 1 43 43 THR CB C 43 70.453 70.453 69.176 1.277 25230 1652 1 7 . 1 1 43 43 THR H H 43 8.259 8.259 8.363 -0.104 25230 1653 1 8 . 1 1 2 2 HIS C C 2 177.389 177.389 174.704 2.685 25230 1654 1 8 . 1 1 3 3 MET N N 3 122.082 122.082 115.983 6.099 25230 1655 1 8 . 1 1 3 3 MET HA H 3 4.412 4.412 4.667 -0.255 25230 1656 1 8 . 1 1 3 3 MET C C 3 176.544 176.544 175.525 1.019 25230 1657 1 8 . 1 1 3 3 MET CA C 3 54.967 54.967 54.507 0.460 25230 1658 1 8 . 1 1 3 3 MET CB C 3 31.913 31.913 35.552 -3.639 25230 1659 1 8 . 1 1 3 3 MET H H 3 8.448 8.448 7.778 0.670 25230 1660 1 8 . 1 1 4 4 GLY N N 4 110.366 110.366 109.003 1.363 25230 1661 1 8 . 1 1 4 4 GLY C C 4 173.781 173.781 173.361 0.420 25230 1662 1 8 . 1 1 4 4 GLY CA C 4 44.584 44.584 44.927 -0.343 25230 1663 1 8 . 1 1 4 4 GLY H H 4 8.459 8.459 8.566 -0.107 25230 1664 1 8 . 1 1 5 5 ALA N N 5 124.049 124.049 122.928 1.121 25230 1665 1 8 . 1 1 5 5 ALA HA H 5 4.297 4.297 3.984 0.313 25230 1666 1 8 . 1 1 5 5 ALA C C 5 177.465 177.465 175.427 2.038 25230 1667 1 8 . 1 1 5 5 ALA CA C 5 51.884 51.884 52.591 -0.707 25230 1668 1 8 . 1 1 5 5 ALA CB C 5 18.921 18.921 17.980 0.941 25230 1669 1 8 . 1 1 5 5 ALA H H 5 8.253 8.253 8.455 -0.202 25230 1670 1 8 . 1 1 6 6 ALA N N 6 123.132 123.132 117.739 5.393 25230 1671 1 8 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.568 -0.287 25230 1672 1 8 . 1 1 6 6 ALA C C 6 177.249 177.249 175.991 1.258 25230 1673 1 8 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.737 0.114 25230 1674 1 8 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.118 -1.241 25230 1675 1 8 . 1 1 6 6 ALA H H 6 8.322 8.322 7.415 0.907 25230 1676 1 8 . 1 1 7 7 ALA N N 7 123.675 123.675 123.266 0.409 25230 1677 1 8 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.315 -0.052 25230 1678 1 8 . 1 1 7 7 ALA C C 7 177.348 177.348 177.154 0.194 25230 1679 1 8 . 1 1 7 7 ALA CA C 7 51.585 51.585 54.041 -2.456 25230 1680 1 8 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.404 -0.605 25230 1681 1 8 . 1 1 7 7 ALA H H 7 8.231 8.231 8.665 -0.434 25230 1682 1 8 . 1 1 8 8 LEU N N 8 121.187 121.187 114.207 6.980 25230 1683 1 8 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.773 -0.384 25230 1684 1 8 . 1 1 8 8 LEU C C 8 177.090 177.090 175.959 1.131 25230 1685 1 8 . 1 1 8 8 LEU CA C 8 54.534 54.534 53.924 0.610 25230 1686 1 8 . 1 1 8 8 LEU CB C 8 42.732 42.732 44.246 -1.514 25230 1687 1 8 . 1 1 8 8 LEU H H 8 8.104 8.104 7.601 0.503 25230 1688 1 8 . 1 1 9 9 ARG N N 9 121.721 121.721 118.023 3.698 25230 1689 1 8 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.677 -0.191 25230 1690 1 8 . 1 1 9 9 ARG C C 9 176.109 176.109 175.186 0.923 25230 1691 1 8 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.395 -0.634 25230 1692 1 8 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.232 -0.553 25230 1693 1 8 . 1 1 9 9 ARG H H 9 8.797 8.797 8.676 0.121 25230 1694 1 8 . 1 1 10 10 SER N N 10 112.067 112.067 114.929 -2.862 25230 1695 1 8 . 1 1 10 10 SER HA H 10 4.265 4.265 4.059 0.206 25230 1696 1 8 . 1 1 10 10 SER C C 10 178.260 178.260 173.579 4.681 25230 1697 1 8 . 1 1 10 10 SER CA C 10 55.374 55.374 56.879 -1.505 25230 1698 1 8 . 1 1 10 10 SER CB C 10 64.945 64.945 65.339 -0.394 25230 1699 1 8 . 1 1 10 10 SER H H 10 7.555 7.555 7.773 -0.218 25230 1700 1 8 . 1 1 11 11 CYS N N 11 124.756 124.756 125.849 -1.093 25230 1701 1 8 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.387 -0.189 25230 1702 1 8 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.470 -1.589 25230 1703 1 8 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.228 3.574 25230 1704 1 8 . 1 1 11 11 CYS H H 11 7.980 7.980 7.672 0.308 25230 1705 1 8 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.240 0.049 25230 1706 1 8 . 1 1 12 12 PRO C C 12 176.179 176.179 176.333 -0.154 25230 1707 1 8 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.712 -0.821 25230 1708 1 8 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.510 0.289 25230 1709 1 8 . 1 1 13 13 MET N N 13 119.495 119.495 117.214 2.281 25230 1710 1 8 . 1 1 13 13 MET HA H 13 4.258 4.258 4.332 -0.074 25230 1711 1 8 . 1 1 13 13 MET C C 13 176.255 176.255 177.082 -0.827 25230 1712 1 8 . 1 1 13 13 MET CA C 13 57.472 57.472 57.598 -0.126 25230 1713 1 8 . 1 1 13 13 MET CB C 13 33.892 33.892 32.872 1.020 25230 1714 1 8 . 1 1 13 13 MET H H 13 8.777 8.777 7.739 1.038 25230 1715 1 8 . 1 1 14 14 CYS N N 14 118.342 118.342 114.099 4.243 25230 1716 1 8 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.795 0.088 25230 1717 1 8 . 1 1 14 14 CYS C C 14 176.154 176.154 174.742 1.412 25230 1718 1 8 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.116 1.310 25230 1719 1 8 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.363 2.831 25230 1720 1 8 . 1 1 14 14 CYS H H 14 8.280 8.280 7.768 0.512 25230 1721 1 8 . 1 1 15 15 GLN N N 15 115.275 115.275 119.153 -3.878 25230 1722 1 8 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.830 0.061 25230 1723 1 8 . 1 1 15 15 GLN C C 15 174.702 174.702 174.128 0.574 25230 1724 1 8 . 1 1 15 15 GLN CA C 15 57.446 57.446 57.026 0.420 25230 1725 1 8 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.240 -1.254 25230 1726 1 8 . 1 1 15 15 GLN H H 15 7.680 7.680 8.152 -0.472 25230 1727 1 8 . 1 1 16 16 LYS N N 16 123.016 123.016 120.914 2.102 25230 1728 1 8 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.351 -0.466 25230 1729 1 8 . 1 1 16 16 LYS C C 16 175.463 175.463 175.196 0.267 25230 1730 1 8 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.821 2.002 25230 1731 1 8 . 1 1 16 16 LYS CB C 16 32.909 32.909 34.236 -1.327 25230 1732 1 8 . 1 1 16 16 LYS H H 16 8.187 8.187 7.361 0.826 25230 1733 1 8 . 1 1 17 17 GLU N N 17 124.246 124.246 127.387 -3.141 25230 1734 1 8 . 1 1 17 17 GLU HA H 17 3.852 3.852 4.013 -0.161 25230 1735 1 8 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.286 -1.648 25230 1736 1 8 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.499 0.623 25230 1737 1 8 . 1 1 17 17 GLU H H 17 8.422 8.422 8.616 -0.194 25230 1738 1 8 . 1 1 18 18 PHE N N 18 124.027 124.027 124.959 -0.932 25230 1739 1 8 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.341 0.319 25230 1740 1 8 . 1 1 18 18 PHE CA C 18 54.443 54.443 57.398 -2.955 25230 1741 1 8 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.547 -1.879 25230 1742 1 8 . 1 1 18 18 PHE H H 18 7.998 7.998 7.674 0.324 25230 1743 1 8 . 1 1 19 19 ALA N N 19 129.037 129.037 125.144 3.893 25230 1744 1 8 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.367 0.147 25230 1745 1 8 . 1 1 19 19 ALA C C 19 176.379 176.379 175.985 0.394 25230 1746 1 8 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.266 -0.807 25230 1747 1 8 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.183 -1.041 25230 1748 1 8 . 1 1 19 19 ALA H H 19 8.304 8.304 8.532 -0.228 25230 1749 1 8 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.415 -0.115 25230 1750 1 8 . 1 1 20 20 PRO C C 20 176.955 176.955 176.579 0.376 25230 1751 1 8 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.878 1.369 25230 1752 1 8 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.504 -1.052 25230 1753 1 8 . 1 1 21 21 ARG N N 21 111.617 111.617 114.329 -2.712 25230 1754 1 8 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.855 0.308 25230 1755 1 8 . 1 1 21 21 ARG C C 21 176.779 176.779 175.206 1.573 25230 1756 1 8 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.004 -1.299 25230 1757 1 8 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.702 0.924 25230 1758 1 8 . 1 1 21 21 ARG H H 21 7.599 7.599 8.426 -0.827 25230 1759 1 8 . 1 1 22 22 LEU N N 22 121.114 121.114 114.468 6.646 25230 1760 1 8 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.926 -0.607 25230 1761 1 8 . 1 1 22 22 LEU C C 22 177.933 177.933 177.411 0.522 25230 1762 1 8 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.182 2.088 25230 1763 1 8 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.759 -1.577 25230 1764 1 8 . 1 1 22 22 LEU H H 22 7.512 7.512 7.693 -0.181 25230 1765 1 8 . 1 1 23 23 THR N N 23 114.258 114.258 107.106 7.152 25230 1766 1 8 . 1 1 23 23 THR HA H 23 4.360 4.360 4.731 -0.371 25230 1767 1 8 . 1 1 23 23 THR C C 23 175.139 175.139 175.337 -0.198 25230 1768 1 8 . 1 1 23 23 THR CA C 23 59.968 59.968 59.284 0.684 25230 1769 1 8 . 1 1 23 23 THR CB C 23 70.887 70.887 71.693 -0.806 25230 1770 1 8 . 1 1 23 23 THR H H 23 9.058 9.058 8.277 0.781 25230 1771 1 8 . 1 1 24 24 GLN N N 24 120.754 120.754 120.166 0.588 25230 1772 1 8 . 1 1 24 24 GLN HA H 24 3.713 3.713 3.990 -0.277 25230 1773 1 8 . 1 1 24 24 GLN C C 24 177.591 177.591 178.049 -0.458 25230 1774 1 8 . 1 1 24 24 GLN CA C 24 58.284 58.284 60.110 -1.826 25230 1775 1 8 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.163 0.043 25230 1776 1 8 . 1 1 24 24 GLN H H 24 8.835 8.835 8.907 -0.072 25230 1777 1 8 . 1 1 25 25 LEU N N 25 118.814 118.814 119.027 -0.213 25230 1778 1 8 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.183 -0.041 25230 1779 1 8 . 1 1 25 25 LEU C C 25 178.984 178.984 178.039 0.945 25230 1780 1 8 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.851 -0.040 25230 1781 1 8 . 1 1 25 25 LEU CB C 25 41.439 41.439 40.877 0.562 25230 1782 1 8 . 1 1 25 25 LEU H H 25 7.899 7.899 8.308 -0.409 25230 1783 1 8 . 1 1 26 26 ASP N N 26 120.208 120.208 119.306 0.902 25230 1784 1 8 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.280 -0.069 25230 1785 1 8 . 1 1 26 26 ASP C C 26 179.490 179.490 178.871 0.619 25230 1786 1 8 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.673 -0.854 25230 1787 1 8 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.291 0.933 25230 1788 1 8 . 1 1 26 26 ASP H H 26 7.553 7.553 7.776 -0.223 25230 1789 1 8 . 1 1 27 27 VAL N N 27 123.015 123.015 119.533 3.482 25230 1790 1 8 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.891 -0.084 25230 1791 1 8 . 1 1 27 27 VAL C C 27 177.068 177.068 177.561 -0.493 25230 1792 1 8 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.825 -0.440 25230 1793 1 8 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.541 -0.601 25230 1794 1 8 . 1 1 27 27 VAL H H 27 7.880 7.880 7.547 0.333 25230 1795 1 8 . 1 1 28 28 ASP N N 28 120.893 120.893 120.108 0.785 25230 1796 1 8 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.317 -0.281 25230 1797 1 8 . 1 1 28 28 ASP C C 28 177.819 177.819 179.112 -1.293 25230 1798 1 8 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.289 0.206 25230 1799 1 8 . 1 1 28 28 ASP CB C 28 39.560 39.560 39.862 -0.302 25230 1800 1 8 . 1 1 28 28 ASP H H 28 8.369 8.369 7.963 0.406 25230 1801 1 8 . 1 1 29 29 SER N N 29 112.819 112.819 115.611 -2.792 25230 1802 1 8 . 1 1 29 29 SER C C 29 177.067 177.067 176.542 0.525 25230 1803 1 8 . 1 1 29 29 SER CB C 29 62.305 62.305 63.203 -0.898 25230 1804 1 8 . 1 1 29 29 SER H H 29 7.894 7.894 8.459 -0.565 25230 1805 1 8 . 1 1 30 30 HIS N N 30 120.983 120.983 122.251 -1.268 25230 1806 1 8 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.648 -0.611 25230 1807 1 8 . 1 1 30 30 HIS C C 30 177.079 177.079 177.732 -0.653 25230 1808 1 8 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.046 1.095 25230 1809 1 8 . 1 1 30 30 HIS CB C 30 27.086 27.086 29.953 -2.867 25230 1810 1 8 . 1 1 30 30 HIS H H 30 7.619 7.619 7.641 -0.022 25230 1811 1 8 . 1 1 31 31 LEU N N 31 118.614 118.614 121.043 -2.429 25230 1812 1 8 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.138 -0.410 25230 1813 1 8 . 1 1 31 31 LEU C C 31 178.111 178.111 179.006 -0.895 25230 1814 1 8 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.123 -0.592 25230 1815 1 8 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.059 0.604 25230 1816 1 8 . 1 1 31 31 LEU H H 31 8.657 8.657 8.264 0.393 25230 1817 1 8 . 1 1 32 32 ALA N N 32 119.459 119.459 120.121 -0.662 25230 1818 1 8 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.028 -0.261 25230 1819 1 8 . 1 1 32 32 ALA C C 32 178.082 178.082 179.894 -1.812 25230 1820 1 8 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.553 -0.952 25230 1821 1 8 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.243 -0.389 25230 1822 1 8 . 1 1 32 32 ALA H H 32 8.296 8.296 8.122 0.174 25230 1823 1 8 . 1 1 33 33 GLN N N 33 117.648 117.648 118.582 -0.934 25230 1824 1 8 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.004 -0.126 25230 1825 1 8 . 1 1 33 33 GLN C C 33 178.653 178.653 178.206 0.447 25230 1826 1 8 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.622 -0.145 25230 1827 1 8 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.515 -0.892 25230 1828 1 8 . 1 1 33 33 GLN H H 33 7.537 7.537 7.462 0.075 25230 1829 1 8 . 1 1 34 34 CYS N N 34 119.676 119.676 119.433 0.243 25230 1830 1 8 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.112 -0.264 25230 1831 1 8 . 1 1 34 34 CYS C C 34 178.744 178.744 177.832 0.912 25230 1832 1 8 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.434 2.104 25230 1833 1 8 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.332 0.421 25230 1834 1 8 . 1 1 34 34 CYS H H 34 8.265 8.265 8.510 -0.245 25230 1835 1 8 . 1 1 35 35 LEU N N 35 122.036 122.036 122.286 -0.250 25230 1836 1 8 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.100 0.138 25230 1837 1 8 . 1 1 35 35 LEU C C 35 179.090 179.090 179.190 -0.100 25230 1838 1 8 . 1 1 35 35 LEU CA C 35 57.022 57.022 58.072 -1.050 25230 1839 1 8 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.654 -0.486 25230 1840 1 8 . 1 1 35 35 LEU H H 35 8.764 8.764 8.266 0.498 25230 1841 1 8 . 1 1 36 36 ALA N N 36 121.371 121.371 120.209 1.162 25230 1842 1 8 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.141 -0.245 25230 1843 1 8 . 1 1 36 36 ALA C C 36 179.254 179.254 178.432 0.822 25230 1844 1 8 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.378 -0.138 25230 1845 1 8 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.529 -0.010 25230 1846 1 8 . 1 1 36 36 ALA H H 36 8.169 8.169 7.920 0.249 25230 1847 1 8 . 1 1 37 37 GLU N N 37 114.105 114.105 115.718 -1.613 25230 1848 1 8 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.446 -0.238 25230 1849 1 8 . 1 1 37 37 GLU C C 37 176.714 176.714 175.746 0.968 25230 1850 1 8 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.125 -0.295 25230 1851 1 8 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.567 -0.645 25230 1852 1 8 . 1 1 37 37 GLU H H 37 7.374 7.374 7.925 -0.551 25230 1853 1 8 . 1 1 38 38 SER N N 38 115.555 115.555 114.954 0.601 25230 1854 1 8 . 1 1 38 38 SER HA H 38 4.423 4.423 4.636 -0.213 25230 1855 1 8 . 1 1 38 38 SER C C 38 176.119 176.119 174.359 1.760 25230 1856 1 8 . 1 1 38 38 SER CA C 38 58.229 58.229 57.357 0.872 25230 1857 1 8 . 1 1 38 38 SER CB C 38 63.245 63.245 64.927 -1.682 25230 1858 1 8 . 1 1 38 38 SER H H 38 7.486 7.486 7.731 -0.245 25230 1859 1 8 . 1 1 39 39 THR N N 39 120.165 120.165 113.425 6.740 25230 1860 1 8 . 1 1 39 39 THR HA H 39 4.148 4.148 4.482 -0.334 25230 1861 1 8 . 1 1 39 39 THR C C 39 174.936 174.936 174.368 0.568 25230 1862 1 8 . 1 1 39 39 THR CA C 39 63.523 63.523 61.569 1.954 25230 1863 1 8 . 1 1 39 39 THR CB C 39 68.170 68.170 69.185 -1.015 25230 1864 1 8 . 1 1 39 39 THR H H 39 8.894 8.894 8.314 0.580 25230 1865 1 8 . 1 1 40 40 GLU N N 40 119.436 119.436 123.243 -3.807 25230 1866 1 8 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.552 -0.081 25230 1867 1 8 . 1 1 40 40 GLU C C 40 175.888 175.888 175.610 0.278 25230 1868 1 8 . 1 1 40 40 GLU CA C 40 54.035 54.035 55.688 -1.653 25230 1869 1 8 . 1 1 40 40 GLU CB C 40 31.340 31.340 30.403 0.937 25230 1870 1 8 . 1 1 40 40 GLU H H 40 7.962 7.962 7.801 0.161 25230 1871 1 8 . 1 1 41 41 ASP N N 41 122.486 122.486 126.457 -3.971 25230 1872 1 8 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.810 -0.321 25230 1873 1 8 . 1 1 41 41 ASP C C 41 175.466 175.466 175.540 -0.074 25230 1874 1 8 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.523 -0.399 25230 1875 1 8 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.921 -0.174 25230 1876 1 8 . 1 1 41 41 ASP H H 41 8.748 8.748 8.705 0.043 25230 1877 1 8 . 1 1 42 42 VAL N N 42 120.843 120.843 121.251 -0.408 25230 1878 1 8 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.282 0.025 25230 1879 1 8 . 1 1 42 42 VAL C C 42 174.810 174.810 175.765 -0.955 25230 1880 1 8 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.896 -0.788 25230 1881 1 8 . 1 1 42 42 VAL CB C 42 34.251 34.251 33.187 1.064 25230 1882 1 8 . 1 1 42 42 VAL H H 42 7.506 7.506 7.883 -0.377 25230 1883 1 8 . 1 1 43 43 THR N N 43 117.225 117.225 124.019 -6.794 25230 1884 1 8 . 1 1 43 43 THR HA H 43 4.310 4.310 4.476 -0.166 25230 1885 1 8 . 1 1 43 43 THR C C 43 172.690 172.690 173.318 -0.628 25230 1886 1 8 . 1 1 43 43 THR CA C 43 60.110 60.110 62.029 -1.919 25230 1887 1 8 . 1 1 43 43 THR CB C 43 70.453 70.453 69.103 1.350 25230 1888 1 8 . 1 1 43 43 THR H H 43 8.259 8.259 8.410 -0.151 25230 1889 1 9 . 1 1 2 2 HIS C C 2 177.389 177.389 173.346 4.043 25230 1890 1 9 . 1 1 3 3 MET N N 3 122.082 122.082 121.826 0.256 25230 1891 1 9 . 1 1 3 3 MET HA H 3 4.412 4.412 4.737 -0.325 25230 1892 1 9 . 1 1 3 3 MET C C 3 176.544 176.544 175.445 1.099 25230 1893 1 9 . 1 1 3 3 MET CA C 3 54.967 54.967 54.054 0.912 25230 1894 1 9 . 1 1 3 3 MET CB C 3 31.913 31.913 35.592 -3.679 25230 1895 1 9 . 1 1 3 3 MET H H 3 8.448 8.448 8.296 0.152 25230 1896 1 9 . 1 1 4 4 GLY N N 4 110.366 110.366 108.000 2.366 25230 1897 1 9 . 1 1 4 4 GLY C C 4 173.781 173.781 174.216 -0.435 25230 1898 1 9 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.214 -0.630 25230 1899 1 9 . 1 1 4 4 GLY H H 4 8.459 8.459 8.599 -0.140 25230 1900 1 9 . 1 1 5 5 ALA N N 5 124.049 124.049 123.585 0.464 25230 1901 1 9 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.555 -0.258 25230 1902 1 9 . 1 1 5 5 ALA C C 5 177.465 177.465 175.656 1.809 25230 1903 1 9 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.513 0.371 25230 1904 1 9 . 1 1 5 5 ALA CB C 5 18.921 18.921 19.034 -0.113 25230 1905 1 9 . 1 1 5 5 ALA H H 5 8.253 8.253 8.301 -0.048 25230 1906 1 9 . 1 1 6 6 ALA N N 6 123.132 123.132 119.859 3.273 25230 1907 1 9 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.396 -0.115 25230 1908 1 9 . 1 1 6 6 ALA C C 6 177.249 177.249 175.797 1.452 25230 1909 1 9 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.851 0.000 25230 1910 1 9 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.129 -1.252 25230 1911 1 9 . 1 1 6 6 ALA H H 6 8.322 8.322 7.299 1.023 25230 1912 1 9 . 1 1 7 7 ALA N N 7 123.675 123.675 122.882 0.793 25230 1913 1 9 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.473 -0.210 25230 1914 1 9 . 1 1 7 7 ALA C C 7 177.348 177.348 177.191 0.157 25230 1915 1 9 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.033 -1.448 25230 1916 1 9 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.309 -0.510 25230 1917 1 9 . 1 1 7 7 ALA H H 7 8.231 8.231 8.466 -0.235 25230 1918 1 9 . 1 1 8 8 LEU N N 8 121.187 121.187 115.230 5.957 25230 1919 1 9 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.768 -0.379 25230 1920 1 9 . 1 1 8 8 LEU C C 8 177.090 177.090 176.346 0.744 25230 1921 1 9 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.058 0.476 25230 1922 1 9 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.389 -0.657 25230 1923 1 9 . 1 1 8 8 LEU H H 8 8.104 8.104 7.519 0.585 25230 1924 1 9 . 1 1 9 9 ARG N N 9 121.721 121.721 120.732 0.989 25230 1925 1 9 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.587 -0.101 25230 1926 1 9 . 1 1 9 9 ARG C C 9 176.109 176.109 175.420 0.689 25230 1927 1 9 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.144 -0.383 25230 1928 1 9 . 1 1 9 9 ARG CB C 9 30.679 30.679 30.963 -0.284 25230 1929 1 9 . 1 1 9 9 ARG H H 9 8.797 8.797 8.863 -0.066 25230 1930 1 9 . 1 1 10 10 SER N N 10 112.067 112.067 112.288 -0.221 25230 1931 1 9 . 1 1 10 10 SER HA H 10 4.265 4.265 4.125 0.140 25230 1932 1 9 . 1 1 10 10 SER C C 10 178.260 178.260 173.303 4.957 25230 1933 1 9 . 1 1 10 10 SER CA C 10 55.374 55.374 57.039 -1.665 25230 1934 1 9 . 1 1 10 10 SER CB C 10 64.945 64.945 65.366 -0.421 25230 1935 1 9 . 1 1 10 10 SER H H 10 7.555 7.555 7.630 -0.075 25230 1936 1 9 . 1 1 11 11 CYS N N 11 124.756 124.756 125.804 -1.048 25230 1937 1 9 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.366 -0.168 25230 1938 1 9 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.177 -1.296 25230 1939 1 9 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.181 3.621 25230 1940 1 9 . 1 1 11 11 CYS H H 11 7.980 7.980 7.623 0.357 25230 1941 1 9 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.228 0.061 25230 1942 1 9 . 1 1 12 12 PRO C C 12 176.179 176.179 176.476 -0.297 25230 1943 1 9 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.430 -0.539 25230 1944 1 9 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.494 0.305 25230 1945 1 9 . 1 1 13 13 MET N N 13 119.495 119.495 118.454 1.041 25230 1946 1 9 . 1 1 13 13 MET HA H 13 4.258 4.258 4.339 -0.081 25230 1947 1 9 . 1 1 13 13 MET C C 13 176.255 176.255 176.719 -0.464 25230 1948 1 9 . 1 1 13 13 MET CA C 13 57.472 57.472 57.358 0.114 25230 1949 1 9 . 1 1 13 13 MET CB C 13 33.892 33.892 33.668 0.224 25230 1950 1 9 . 1 1 13 13 MET H H 13 8.777 8.777 7.740 1.037 25230 1951 1 9 . 1 1 14 14 CYS N N 14 118.342 118.342 115.834 2.508 25230 1952 1 9 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.839 0.044 25230 1953 1 9 . 1 1 14 14 CYS C C 14 176.154 176.154 174.559 1.595 25230 1954 1 9 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.255 1.171 25230 1955 1 9 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.226 2.968 25230 1956 1 9 . 1 1 14 14 CYS H H 14 8.280 8.280 7.736 0.544 25230 1957 1 9 . 1 1 15 15 GLN N N 15 115.275 115.275 119.037 -3.762 25230 1958 1 9 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.838 0.053 25230 1959 1 9 . 1 1 15 15 GLN C C 15 174.702 174.702 174.255 0.447 25230 1960 1 9 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.880 0.566 25230 1961 1 9 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.014 -1.028 25230 1962 1 9 . 1 1 15 15 GLN H H 15 7.680 7.680 8.162 -0.482 25230 1963 1 9 . 1 1 16 16 LYS N N 16 123.016 123.016 120.831 2.185 25230 1964 1 9 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.338 -0.453 25230 1965 1 9 . 1 1 16 16 LYS C C 16 175.463 175.463 175.379 0.084 25230 1966 1 9 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.748 2.075 25230 1967 1 9 . 1 1 16 16 LYS CB C 16 32.909 32.909 33.924 -1.015 25230 1968 1 9 . 1 1 16 16 LYS H H 16 8.187 8.187 7.401 0.786 25230 1969 1 9 . 1 1 17 17 GLU N N 17 124.246 124.246 127.499 -3.253 25230 1970 1 9 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.962 -0.110 25230 1971 1 9 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.508 -1.871 25230 1972 1 9 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.385 0.737 25230 1973 1 9 . 1 1 17 17 GLU H H 17 8.422 8.422 8.616 -0.194 25230 1974 1 9 . 1 1 18 18 PHE N N 18 124.027 124.027 125.461 -1.434 25230 1975 1 9 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.372 0.288 25230 1976 1 9 . 1 1 18 18 PHE CA C 18 54.443 54.443 57.775 -3.332 25230 1977 1 9 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.577 -1.908 25230 1978 1 9 . 1 1 18 18 PHE H H 18 7.998 7.998 8.146 -0.148 25230 1979 1 9 . 1 1 19 19 ALA N N 19 129.037 129.037 125.236 3.801 25230 1980 1 9 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.411 0.103 25230 1981 1 9 . 1 1 19 19 ALA C C 19 176.379 176.379 175.896 0.483 25230 1982 1 9 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.022 -0.562 25230 1983 1 9 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.124 -0.982 25230 1984 1 9 . 1 1 19 19 ALA H H 19 8.304 8.304 8.227 0.077 25230 1985 1 9 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.356 -0.056 25230 1986 1 9 . 1 1 20 20 PRO C C 20 176.955 176.955 176.629 0.326 25230 1987 1 9 . 1 1 20 20 PRO CA C 20 64.247 64.247 63.131 1.116 25230 1988 1 9 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.481 -1.029 25230 1989 1 9 . 1 1 21 21 ARG N N 21 111.617 111.617 113.471 -1.854 25230 1990 1 9 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.974 0.189 25230 1991 1 9 . 1 1 21 21 ARG C C 21 176.779 176.779 175.398 1.381 25230 1992 1 9 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.113 -1.408 25230 1993 1 9 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.589 1.037 25230 1994 1 9 . 1 1 21 21 ARG H H 21 7.599 7.599 8.309 -0.710 25230 1995 1 9 . 1 1 22 22 LEU N N 22 121.114 121.114 114.530 6.584 25230 1996 1 9 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.749 -0.430 25230 1997 1 9 . 1 1 22 22 LEU C C 22 177.933 177.933 176.820 1.113 25230 1998 1 9 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.070 2.200 25230 1999 1 9 . 1 1 22 22 LEU CB C 22 41.182 41.182 43.204 -2.022 25230 2000 1 9 . 1 1 22 22 LEU H H 22 7.512 7.512 7.708 -0.196 25230 2001 1 9 . 1 1 23 23 THR N N 23 114.258 114.258 105.946 8.312 25230 2002 1 9 . 1 1 23 23 THR HA H 23 4.360 4.360 4.567 -0.207 25230 2003 1 9 . 1 1 23 23 THR C C 23 175.139 175.139 175.346 -0.207 25230 2004 1 9 . 1 1 23 23 THR CA C 23 59.968 59.968 59.608 0.360 25230 2005 1 9 . 1 1 23 23 THR CB C 23 70.887 70.887 72.101 -1.214 25230 2006 1 9 . 1 1 23 23 THR H H 23 9.058 9.058 7.601 1.457 25230 2007 1 9 . 1 1 24 24 GLN N N 24 120.754 120.754 120.744 0.010 25230 2008 1 9 . 1 1 24 24 GLN HA H 24 3.713 3.713 3.972 -0.259 25230 2009 1 9 . 1 1 24 24 GLN C C 24 177.591 177.591 178.135 -0.544 25230 2010 1 9 . 1 1 24 24 GLN CA C 24 58.284 58.284 60.303 -2.019 25230 2011 1 9 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.404 -0.198 25230 2012 1 9 . 1 1 24 24 GLN H H 24 8.835 8.835 8.805 0.030 25230 2013 1 9 . 1 1 25 25 LEU N N 25 118.814 118.814 117.798 1.016 25230 2014 1 9 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.110 0.032 25230 2015 1 9 . 1 1 25 25 LEU C C 25 178.984 178.984 177.836 1.148 25230 2016 1 9 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.803 0.008 25230 2017 1 9 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.532 -0.093 25230 2018 1 9 . 1 1 25 25 LEU H H 25 7.899 7.899 8.122 -0.223 25230 2019 1 9 . 1 1 26 26 ASP N N 26 120.208 120.208 120.390 -0.182 25230 2020 1 9 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.335 -0.124 25230 2021 1 9 . 1 1 26 26 ASP C C 26 179.490 179.490 178.635 0.855 25230 2022 1 9 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.417 -0.598 25230 2023 1 9 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.105 1.119 25230 2024 1 9 . 1 1 26 26 ASP H H 26 7.553 7.553 7.569 -0.016 25230 2025 1 9 . 1 1 27 27 VAL N N 27 123.015 123.015 118.426 4.589 25230 2026 1 9 . 1 1 27 27 VAL HA H 27 2.807 2.807 3.039 -0.233 25230 2027 1 9 . 1 1 27 27 VAL C C 27 177.068 177.068 177.550 -0.482 25230 2028 1 9 . 1 1 27 27 VAL CA C 27 66.385 66.385 64.785 1.600 25230 2029 1 9 . 1 1 27 27 VAL CB C 27 30.940 30.940 30.752 0.188 25230 2030 1 9 . 1 1 27 27 VAL H H 27 7.880 7.880 7.595 0.285 25230 2031 1 9 . 1 1 28 28 ASP N N 28 120.893 120.893 121.134 -0.241 25230 2032 1 9 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.398 -0.362 25230 2033 1 9 . 1 1 28 28 ASP C C 28 177.819 177.819 179.005 -1.186 25230 2034 1 9 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.635 -0.139 25230 2035 1 9 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.160 -0.600 25230 2036 1 9 . 1 1 28 28 ASP H H 28 8.369 8.369 8.223 0.146 25230 2037 1 9 . 1 1 29 29 SER N N 29 112.819 112.819 115.882 -3.063 25230 2038 1 9 . 1 1 29 29 SER C C 29 177.067 177.067 176.493 0.574 25230 2039 1 9 . 1 1 29 29 SER CB C 29 62.305 62.305 63.300 -0.995 25230 2040 1 9 . 1 1 29 29 SER H H 29 7.894 7.894 8.434 -0.540 25230 2041 1 9 . 1 1 30 30 HIS N N 30 120.983 120.983 121.330 -0.347 25230 2042 1 9 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.385 -0.348 25230 2043 1 9 . 1 1 30 30 HIS C C 30 177.079 177.079 177.340 -0.261 25230 2044 1 9 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.135 1.006 25230 2045 1 9 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.116 -3.030 25230 2046 1 9 . 1 1 30 30 HIS H H 30 7.619 7.619 7.469 0.150 25230 2047 1 9 . 1 1 31 31 LEU N N 31 118.614 118.614 120.120 -1.506 25230 2048 1 9 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.195 -0.467 25230 2049 1 9 . 1 1 31 31 LEU C C 31 178.111 178.111 179.244 -1.133 25230 2050 1 9 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.336 -0.805 25230 2051 1 9 . 1 1 31 31 LEU CB C 31 41.663 41.663 40.885 0.778 25230 2052 1 9 . 1 1 31 31 LEU H H 31 8.657 8.657 8.541 0.116 25230 2053 1 9 . 1 1 32 32 ALA N N 32 119.459 119.459 120.883 -1.424 25230 2054 1 9 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.074 -0.307 25230 2055 1 9 . 1 1 32 32 ALA C C 32 178.082 178.082 179.648 -1.566 25230 2056 1 9 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.410 -0.809 25230 2057 1 9 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.364 -0.510 25230 2058 1 9 . 1 1 32 32 ALA H H 32 8.296 8.296 8.290 0.006 25230 2059 1 9 . 1 1 33 33 GLN N N 33 117.648 117.648 118.504 -0.856 25230 2060 1 9 . 1 1 33 33 GLN HA H 33 3.878 3.878 3.999 -0.121 25230 2061 1 9 . 1 1 33 33 GLN C C 33 178.653 178.653 178.223 0.430 25230 2062 1 9 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.660 -0.183 25230 2063 1 9 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.508 -0.885 25230 2064 1 9 . 1 1 33 33 GLN H H 33 7.537 7.537 7.514 0.023 25230 2065 1 9 . 1 1 34 34 CYS N N 34 119.676 119.676 119.540 0.136 25230 2066 1 9 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.091 -0.243 25230 2067 1 9 . 1 1 34 34 CYS C C 34 178.744 178.744 177.246 1.498 25230 2068 1 9 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.611 1.927 25230 2069 1 9 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.296 0.457 25230 2070 1 9 . 1 1 34 34 CYS H H 34 8.265 8.265 8.604 -0.339 25230 2071 1 9 . 1 1 35 35 LEU N N 35 122.036 122.036 121.356 0.680 25230 2072 1 9 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.064 0.174 25230 2073 1 9 . 1 1 35 35 LEU C C 35 179.090 179.090 177.810 1.280 25230 2074 1 9 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.841 -0.819 25230 2075 1 9 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.953 -0.785 25230 2076 1 9 . 1 1 35 35 LEU H H 35 8.764 8.764 7.742 1.022 25230 2077 1 9 . 1 1 36 36 ALA N N 36 121.371 121.371 118.974 2.397 25230 2078 1 9 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.091 -0.195 25230 2079 1 9 . 1 1 36 36 ALA C C 36 179.254 179.254 178.984 0.270 25230 2080 1 9 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.175 0.065 25230 2081 1 9 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.653 -0.134 25230 2082 1 9 . 1 1 36 36 ALA H H 36 8.169 8.169 7.624 0.545 25230 2083 1 9 . 1 1 37 37 GLU N N 37 114.105 114.105 117.006 -2.901 25230 2084 1 9 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.348 -0.140 25230 2085 1 9 . 1 1 37 37 GLU C C 37 176.714 176.714 176.764 -0.050 25230 2086 1 9 . 1 1 37 37 GLU CA C 37 55.830 55.830 57.038 -1.208 25230 2087 1 9 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.661 -0.739 25230 2088 1 9 . 1 1 37 37 GLU H H 37 7.374 7.374 7.873 -0.499 25230 2089 1 9 . 1 1 38 38 SER N N 38 115.555 115.555 114.762 0.793 25230 2090 1 9 . 1 1 38 38 SER HA H 38 4.423 4.423 4.647 -0.224 25230 2091 1 9 . 1 1 38 38 SER C C 38 176.119 176.119 174.768 1.351 25230 2092 1 9 . 1 1 38 38 SER CA C 38 58.229 58.229 57.570 0.659 25230 2093 1 9 . 1 1 38 38 SER CB C 38 63.245 63.245 63.511 -0.266 25230 2094 1 9 . 1 1 38 38 SER H H 38 7.486 7.486 8.110 -0.624 25230 2095 1 9 . 1 1 39 39 THR N N 39 120.165 120.165 121.382 -1.217 25230 2096 1 9 . 1 1 39 39 THR HA H 39 4.148 4.148 4.225 -0.077 25230 2097 1 9 . 1 1 39 39 THR C C 39 174.936 174.936 174.913 0.023 25230 2098 1 9 . 1 1 39 39 THR CA C 39 63.523 63.523 63.501 0.022 25230 2099 1 9 . 1 1 39 39 THR CB C 39 68.170 68.170 69.167 -0.997 25230 2100 1 9 . 1 1 39 39 THR H H 39 8.894 8.894 8.575 0.319 25230 2101 1 9 . 1 1 40 40 GLU N N 40 119.436 119.436 121.888 -2.452 25230 2102 1 9 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.296 0.175 25230 2103 1 9 . 1 1 40 40 GLU C C 40 175.888 175.888 175.670 0.218 25230 2104 1 9 . 1 1 40 40 GLU CA C 40 54.035 54.035 56.622 -2.587 25230 2105 1 9 . 1 1 40 40 GLU CB C 40 31.340 31.340 29.974 1.366 25230 2106 1 9 . 1 1 40 40 GLU H H 40 7.962 7.962 8.182 -0.220 25230 2107 1 9 . 1 1 41 41 ASP N N 41 122.486 122.486 125.285 -2.799 25230 2108 1 9 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.833 -0.344 25230 2109 1 9 . 1 1 41 41 ASP C C 41 175.466 175.466 175.784 -0.318 25230 2110 1 9 . 1 1 41 41 ASP CA C 41 54.124 54.124 53.293 0.831 25230 2111 1 9 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.762 -0.015 25230 2112 1 9 . 1 1 41 41 ASP H H 41 8.748 8.748 8.742 0.006 25230 2113 1 9 . 1 1 42 42 VAL N N 42 120.843 120.843 119.267 1.576 25230 2114 1 9 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.352 -0.045 25230 2115 1 9 . 1 1 42 42 VAL C C 42 174.810 174.810 175.846 -1.036 25230 2116 1 9 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.570 -0.462 25230 2117 1 9 . 1 1 42 42 VAL CB C 42 34.251 34.251 31.942 2.309 25230 2118 1 9 . 1 1 42 42 VAL H H 42 7.506 7.506 7.566 -0.060 25230 2119 1 9 . 1 1 43 43 THR N N 43 117.225 117.225 121.244 -4.019 25230 2120 1 9 . 1 1 43 43 THR HA H 43 4.310 4.310 4.112 0.198 25230 2121 1 9 . 1 1 43 43 THR C C 43 172.690 172.690 174.472 -1.782 25230 2122 1 9 . 1 1 43 43 THR CA C 43 60.110 60.110 61.912 -1.802 25230 2123 1 9 . 1 1 43 43 THR CB C 43 70.453 70.453 69.111 1.343 25230 2124 1 9 . 1 1 43 43 THR H H 43 8.259 8.259 8.148 0.111 25230 2125 1 10 . 1 1 2 2 HIS C C 2 177.389 177.389 175.426 1.963 25230 2126 1 10 . 1 1 3 3 MET N N 3 122.082 122.082 117.994 4.088 25230 2127 1 10 . 1 1 3 3 MET HA H 3 4.412 4.412 4.739 -0.327 25230 2128 1 10 . 1 1 3 3 MET C C 3 176.544 176.544 176.206 0.338 25230 2129 1 10 . 1 1 3 3 MET CA C 3 54.967 54.967 54.750 0.217 25230 2130 1 10 . 1 1 3 3 MET CB C 3 31.913 31.913 35.081 -3.168 25230 2131 1 10 . 1 1 3 3 MET H H 3 8.448 8.448 8.068 0.380 25230 2132 1 10 . 1 1 4 4 GLY N N 4 110.366 110.366 107.678 2.688 25230 2133 1 10 . 1 1 4 4 GLY C C 4 173.781 173.781 173.128 0.653 25230 2134 1 10 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.452 -0.868 25230 2135 1 10 . 1 1 4 4 GLY H H 4 8.459 8.459 8.511 -0.052 25230 2136 1 10 . 1 1 5 5 ALA N N 5 124.049 124.049 126.101 -2.052 25230 2137 1 10 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.560 -0.263 25230 2138 1 10 . 1 1 5 5 ALA C C 5 177.465 177.465 175.111 2.354 25230 2139 1 10 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.241 0.643 25230 2140 1 10 . 1 1 5 5 ALA CB C 5 18.921 18.921 17.620 1.301 25230 2141 1 10 . 1 1 5 5 ALA H H 5 8.253 8.253 8.609 -0.356 25230 2142 1 10 . 1 1 6 6 ALA N N 6 123.132 123.132 122.853 0.279 25230 2143 1 10 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.718 -0.437 25230 2144 1 10 . 1 1 6 6 ALA C C 6 177.249 177.249 176.422 0.827 25230 2145 1 10 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.652 0.199 25230 2146 1 10 . 1 1 6 6 ALA CB C 6 18.877 18.877 21.105 -2.228 25230 2147 1 10 . 1 1 6 6 ALA H H 6 8.322 8.322 7.369 0.953 25230 2148 1 10 . 1 1 7 7 ALA N N 7 123.675 123.675 121.650 2.025 25230 2149 1 10 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.250 0.013 25230 2150 1 10 . 1 1 7 7 ALA C C 7 177.348 177.348 177.341 0.007 25230 2151 1 10 . 1 1 7 7 ALA CA C 7 51.585 51.585 54.061 -2.476 25230 2152 1 10 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.084 -0.285 25230 2153 1 10 . 1 1 7 7 ALA H H 7 8.231 8.231 8.416 -0.185 25230 2154 1 10 . 1 1 8 8 LEU N N 8 121.187 121.187 115.972 5.215 25230 2155 1 10 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.665 -0.276 25230 2156 1 10 . 1 1 8 8 LEU C C 8 177.090 177.090 176.221 0.869 25230 2157 1 10 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.139 0.395 25230 2158 1 10 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.906 -1.174 25230 2159 1 10 . 1 1 8 8 LEU H H 8 8.104 8.104 7.417 0.687 25230 2160 1 10 . 1 1 9 9 ARG N N 9 121.721 121.721 120.090 1.631 25230 2161 1 10 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.529 -0.043 25230 2162 1 10 . 1 1 9 9 ARG C C 9 176.109 176.109 174.932 1.177 25230 2163 1 10 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.268 -0.507 25230 2164 1 10 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.032 -0.353 25230 2165 1 10 . 1 1 9 9 ARG H H 9 8.797 8.797 8.661 0.136 25230 2166 1 10 . 1 1 10 10 SER N N 10 112.067 112.067 114.628 -2.561 25230 2167 1 10 . 1 1 10 10 SER HA H 10 4.265 4.265 4.122 0.143 25230 2168 1 10 . 1 1 10 10 SER C C 10 178.260 178.260 173.485 4.775 25230 2169 1 10 . 1 1 10 10 SER CA C 10 55.374 55.374 57.149 -1.775 25230 2170 1 10 . 1 1 10 10 SER CB C 10 64.945 64.945 65.340 -0.395 25230 2171 1 10 . 1 1 10 10 SER H H 10 7.555 7.555 7.682 -0.127 25230 2172 1 10 . 1 1 11 11 CYS N N 11 124.756 124.756 125.084 -0.328 25230 2173 1 10 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.260 -0.062 25230 2174 1 10 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.740 -1.859 25230 2175 1 10 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.001 3.801 25230 2176 1 10 . 1 1 11 11 CYS H H 11 7.980 7.980 7.548 0.432 25230 2177 1 10 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.238 0.051 25230 2178 1 10 . 1 1 12 12 PRO C C 12 176.179 176.179 176.430 -0.251 25230 2179 1 10 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.430 -0.538 25230 2180 1 10 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.584 0.215 25230 2181 1 10 . 1 1 13 13 MET N N 13 119.495 119.495 117.526 1.969 25230 2182 1 10 . 1 1 13 13 MET HA H 13 4.258 4.258 4.345 -0.087 25230 2183 1 10 . 1 1 13 13 MET C C 13 176.255 176.255 176.710 -0.455 25230 2184 1 10 . 1 1 13 13 MET CA C 13 57.472 57.472 57.391 0.081 25230 2185 1 10 . 1 1 13 13 MET CB C 13 33.892 33.892 33.564 0.328 25230 2186 1 10 . 1 1 13 13 MET H H 13 8.777 8.777 7.829 0.948 25230 2187 1 10 . 1 1 14 14 CYS N N 14 118.342 118.342 115.274 3.068 25230 2188 1 10 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.814 0.069 25230 2189 1 10 . 1 1 14 14 CYS C C 14 176.154 176.154 174.744 1.410 25230 2190 1 10 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.108 1.318 25230 2191 1 10 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.269 2.925 25230 2192 1 10 . 1 1 14 14 CYS H H 14 8.280 8.280 7.838 0.442 25230 2193 1 10 . 1 1 15 15 GLN N N 15 115.275 115.275 118.851 -3.576 25230 2194 1 10 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.837 0.054 25230 2195 1 10 . 1 1 15 15 GLN C C 15 174.702 174.702 174.283 0.419 25230 2196 1 10 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.893 0.553 25230 2197 1 10 . 1 1 15 15 GLN CB C 15 24.986 24.986 25.936 -0.951 25230 2198 1 10 . 1 1 15 15 GLN H H 15 7.680 7.680 8.152 -0.472 25230 2199 1 10 . 1 1 16 16 LYS N N 16 123.016 123.016 120.609 2.407 25230 2200 1 10 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.345 -0.460 25230 2201 1 10 . 1 1 16 16 LYS C C 16 175.463 175.463 175.520 -0.057 25230 2202 1 10 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.732 2.091 25230 2203 1 10 . 1 1 16 16 LYS CB C 16 32.909 32.909 33.838 -0.929 25230 2204 1 10 . 1 1 16 16 LYS H H 16 8.187 8.187 7.300 0.887 25230 2205 1 10 . 1 1 17 17 GLU N N 17 124.246 124.246 128.055 -3.809 25230 2206 1 10 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.988 -0.136 25230 2207 1 10 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.246 -1.608 25230 2208 1 10 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.119 1.003 25230 2209 1 10 . 1 1 17 17 GLU H H 17 8.422 8.422 8.652 -0.230 25230 2210 1 10 . 1 1 18 18 PHE N N 18 124.027 124.027 124.723 -0.696 25230 2211 1 10 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.250 0.410 25230 2212 1 10 . 1 1 18 18 PHE CA C 18 54.443 54.443 57.957 -3.514 25230 2213 1 10 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.241 -1.572 25230 2214 1 10 . 1 1 18 18 PHE H H 18 7.998 7.998 7.573 0.425 25230 2215 1 10 . 1 1 19 19 ALA N N 19 129.037 129.037 124.941 4.096 25230 2216 1 10 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.355 0.159 25230 2217 1 10 . 1 1 19 19 ALA C C 19 176.379 176.379 175.976 0.403 25230 2218 1 10 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.215 -0.756 25230 2219 1 10 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.308 -1.166 25230 2220 1 10 . 1 1 19 19 ALA H H 19 8.304 8.304 8.520 -0.216 25230 2221 1 10 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.444 -0.144 25230 2222 1 10 . 1 1 20 20 PRO C C 20 176.955 176.955 176.398 0.557 25230 2223 1 10 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.603 1.644 25230 2224 1 10 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.761 -1.309 25230 2225 1 10 . 1 1 21 21 ARG N N 21 111.617 111.617 114.118 -2.501 25230 2226 1 10 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.961 0.202 25230 2227 1 10 . 1 1 21 21 ARG C C 21 176.779 176.779 175.214 1.565 25230 2228 1 10 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.143 -1.438 25230 2229 1 10 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.503 1.123 25230 2230 1 10 . 1 1 21 21 ARG H H 21 7.599 7.599 8.572 -0.973 25230 2231 1 10 . 1 1 22 22 LEU N N 22 121.114 121.114 114.086 7.028 25230 2232 1 10 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.733 -0.414 25230 2233 1 10 . 1 1 22 22 LEU C C 22 177.933 177.933 177.408 0.525 25230 2234 1 10 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.486 1.784 25230 2235 1 10 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.654 -1.472 25230 2236 1 10 . 1 1 22 22 LEU H H 22 7.512 7.512 7.674 -0.162 25230 2237 1 10 . 1 1 23 23 THR N N 23 114.258 114.258 105.996 8.262 25230 2238 1 10 . 1 1 23 23 THR HA H 23 4.360 4.360 4.586 -0.226 25230 2239 1 10 . 1 1 23 23 THR C C 23 175.139 175.139 175.533 -0.394 25230 2240 1 10 . 1 1 23 23 THR CA C 23 59.968 59.968 59.186 0.782 25230 2241 1 10 . 1 1 23 23 THR CB C 23 70.887 70.887 72.250 -1.363 25230 2242 1 10 . 1 1 23 23 THR H H 23 9.058 9.058 7.660 1.398 25230 2243 1 10 . 1 1 24 24 GLN N N 24 120.754 120.754 120.338 0.416 25230 2244 1 10 . 1 1 24 24 GLN HA H 24 3.713 3.713 4.058 -0.345 25230 2245 1 10 . 1 1 24 24 GLN C C 24 177.591 177.591 178.371 -0.780 25230 2246 1 10 . 1 1 24 24 GLN CA C 24 58.284 58.284 58.772 -0.487 25230 2247 1 10 . 1 1 24 24 GLN CB C 24 28.206 28.206 27.837 0.369 25230 2248 1 10 . 1 1 24 24 GLN H H 24 8.835 8.835 9.042 -0.207 25230 2249 1 10 . 1 1 25 25 LEU N N 25 118.814 118.814 119.412 -0.598 25230 2250 1 10 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.214 -0.072 25230 2251 1 10 . 1 1 25 25 LEU C C 25 178.984 178.984 177.796 1.188 25230 2252 1 10 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.660 0.151 25230 2253 1 10 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.388 0.051 25230 2254 1 10 . 1 1 25 25 LEU H H 25 7.899 7.899 8.066 -0.167 25230 2255 1 10 . 1 1 26 26 ASP N N 26 120.208 120.208 120.458 -0.250 25230 2256 1 10 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.309 -0.098 25230 2257 1 10 . 1 1 26 26 ASP C C 26 179.490 179.490 178.697 0.793 25230 2258 1 10 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.795 -0.976 25230 2259 1 10 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.210 1.014 25230 2260 1 10 . 1 1 26 26 ASP H H 26 7.553 7.553 7.526 0.027 25230 2261 1 10 . 1 1 27 27 VAL N N 27 123.015 123.015 118.329 4.686 25230 2262 1 10 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.881 -0.074 25230 2263 1 10 . 1 1 27 27 VAL C C 27 177.068 177.068 177.444 -0.376 25230 2264 1 10 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.373 0.012 25230 2265 1 10 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.395 -0.455 25230 2266 1 10 . 1 1 27 27 VAL H H 27 7.880 7.880 7.577 0.303 25230 2267 1 10 . 1 1 28 28 ASP N N 28 120.893 120.893 121.030 -0.137 25230 2268 1 10 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.469 -0.433 25230 2269 1 10 . 1 1 28 28 ASP C C 28 177.819 177.819 178.854 -1.035 25230 2270 1 10 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.447 0.049 25230 2271 1 10 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.274 -0.714 25230 2272 1 10 . 1 1 28 28 ASP H H 28 8.369 8.369 7.762 0.607 25230 2273 1 10 . 1 1 29 29 SER N N 29 112.819 112.819 116.351 -3.532 25230 2274 1 10 . 1 1 29 29 SER C C 29 177.067 177.067 176.571 0.496 25230 2275 1 10 . 1 1 29 29 SER CB C 29 62.305 62.305 63.255 -0.950 25230 2276 1 10 . 1 1 29 29 SER H H 29 7.894 7.894 8.563 -0.669 25230 2277 1 10 . 1 1 30 30 HIS N N 30 120.983 120.983 121.393 -0.410 25230 2278 1 10 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.394 -0.357 25230 2279 1 10 . 1 1 30 30 HIS C C 30 177.079 177.079 177.370 -0.291 25230 2280 1 10 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.137 1.004 25230 2281 1 10 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.155 -3.069 25230 2282 1 10 . 1 1 30 30 HIS H H 30 7.619 7.619 7.459 0.160 25230 2283 1 10 . 1 1 31 31 LEU N N 31 118.614 118.614 120.429 -1.815 25230 2284 1 10 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.073 -0.345 25230 2285 1 10 . 1 1 31 31 LEU C C 31 178.111 178.111 179.191 -1.080 25230 2286 1 10 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.083 -0.552 25230 2287 1 10 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.892 -0.229 25230 2288 1 10 . 1 1 31 31 LEU H H 31 8.657 8.657 8.232 0.425 25230 2289 1 10 . 1 1 32 32 ALA N N 32 119.459 119.459 120.596 -1.137 25230 2290 1 10 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.023 -0.256 25230 2291 1 10 . 1 1 32 32 ALA C C 32 178.082 178.082 179.880 -1.798 25230 2292 1 10 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.463 -0.862 25230 2293 1 10 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.037 -0.183 25230 2294 1 10 . 1 1 32 32 ALA H H 32 8.296 8.296 8.504 -0.208 25230 2295 1 10 . 1 1 33 33 GLN N N 33 117.648 117.648 118.360 -0.712 25230 2296 1 10 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.065 -0.187 25230 2297 1 10 . 1 1 33 33 GLN C C 33 178.653 178.653 178.262 0.391 25230 2298 1 10 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.787 -0.310 25230 2299 1 10 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.603 -0.980 25230 2300 1 10 . 1 1 33 33 GLN H H 33 7.537 7.537 7.613 -0.076 25230 2301 1 10 . 1 1 34 34 CYS N N 34 119.676 119.676 119.473 0.203 25230 2302 1 10 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.134 -0.286 25230 2303 1 10 . 1 1 34 34 CYS C C 34 178.744 178.744 177.550 1.194 25230 2304 1 10 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.308 2.230 25230 2305 1 10 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.219 0.534 25230 2306 1 10 . 1 1 34 34 CYS H H 34 8.265 8.265 8.662 -0.397 25230 2307 1 10 . 1 1 35 35 LEU N N 35 122.036 122.036 121.600 0.436 25230 2308 1 10 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.228 0.010 25230 2309 1 10 . 1 1 35 35 LEU C C 35 179.090 179.090 179.297 -0.207 25230 2310 1 10 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.928 -0.906 25230 2311 1 10 . 1 1 35 35 LEU CB C 35 41.168 41.168 42.047 -0.879 25230 2312 1 10 . 1 1 35 35 LEU H H 35 8.764 8.764 8.028 0.736 25230 2313 1 10 . 1 1 36 36 ALA N N 36 121.371 121.371 120.144 1.227 25230 2314 1 10 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.108 -0.212 25230 2315 1 10 . 1 1 36 36 ALA C C 36 179.254 179.254 178.780 0.474 25230 2316 1 10 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.373 -0.133 25230 2317 1 10 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.750 -0.231 25230 2318 1 10 . 1 1 36 36 ALA H H 36 8.169 8.169 7.791 0.378 25230 2319 1 10 . 1 1 37 37 GLU N N 37 114.105 114.105 116.779 -2.674 25230 2320 1 10 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.390 -0.182 25230 2321 1 10 . 1 1 37 37 GLU C C 37 176.714 176.714 176.786 -0.072 25230 2322 1 10 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.664 -0.834 25230 2323 1 10 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.613 -0.691 25230 2324 1 10 . 1 1 37 37 GLU H H 37 7.374 7.374 7.877 -0.503 25230 2325 1 10 . 1 1 38 38 SER N N 38 115.555 115.555 114.350 1.205 25230 2326 1 10 . 1 1 38 38 SER HA H 38 4.423 4.423 4.303 0.120 25230 2327 1 10 . 1 1 38 38 SER C C 38 176.119 176.119 174.795 1.324 25230 2328 1 10 . 1 1 38 38 SER CA C 38 58.229 58.229 58.502 -0.273 25230 2329 1 10 . 1 1 38 38 SER CB C 38 63.245 63.245 63.789 -0.544 25230 2330 1 10 . 1 1 38 38 SER H H 38 7.486 7.486 7.696 -0.210 25230 2331 1 10 . 1 1 39 39 THR N N 39 120.165 120.165 117.752 2.413 25230 2332 1 10 . 1 1 39 39 THR HA H 39 4.148 4.148 4.404 -0.256 25230 2333 1 10 . 1 1 39 39 THR C C 39 174.936 174.936 174.437 0.499 25230 2334 1 10 . 1 1 39 39 THR CA C 39 63.523 63.523 62.718 0.805 25230 2335 1 10 . 1 1 39 39 THR CB C 39 68.170 68.170 69.119 -0.949 25230 2336 1 10 . 1 1 39 39 THR H H 39 8.894 8.894 8.380 0.514 25230 2337 1 10 . 1 1 40 40 GLU N N 40 119.436 119.436 122.197 -2.761 25230 2338 1 10 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.542 -0.071 25230 2339 1 10 . 1 1 40 40 GLU C C 40 175.888 175.888 175.421 0.467 25230 2340 1 10 . 1 1 40 40 GLU CA C 40 54.035 54.035 55.874 -1.839 25230 2341 1 10 . 1 1 40 40 GLU CB C 40 31.340 31.340 31.859 -0.519 25230 2342 1 10 . 1 1 40 40 GLU H H 40 7.962 7.962 7.712 0.250 25230 2343 1 10 . 1 1 41 41 ASP N N 41 122.486 122.486 126.443 -3.957 25230 2344 1 10 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.792 -0.303 25230 2345 1 10 . 1 1 41 41 ASP C C 41 175.466 175.466 175.635 -0.169 25230 2346 1 10 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.030 0.094 25230 2347 1 10 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.578 0.169 25230 2348 1 10 . 1 1 41 41 ASP H H 41 8.748 8.748 8.676 0.072 25230 2349 1 10 . 1 1 42 42 VAL N N 42 120.843 120.843 119.970 0.873 25230 2350 1 10 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.356 -0.049 25230 2351 1 10 . 1 1 42 42 VAL C C 42 174.810 174.810 176.028 -1.218 25230 2352 1 10 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.757 -0.649 25230 2353 1 10 . 1 1 42 42 VAL CB C 42 34.251 34.251 32.134 2.117 25230 2354 1 10 . 1 1 42 42 VAL H H 42 7.506 7.506 7.614 -0.108 25230 2355 1 10 . 1 1 43 43 THR N N 43 117.225 117.225 124.607 -7.382 25230 2356 1 10 . 1 1 43 43 THR HA H 43 4.310 4.310 4.512 -0.202 25230 2357 1 10 . 1 1 43 43 THR C C 43 172.690 172.690 173.659 -0.969 25230 2358 1 10 . 1 1 43 43 THR CA C 43 60.110 60.110 62.256 -2.146 25230 2359 1 10 . 1 1 43 43 THR CB C 43 70.453 70.453 68.811 1.642 25230 2360 1 10 . 1 1 43 43 THR H H 43 8.259 8.259 8.442 -0.183 25230 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 39 3.474 -0.808 3.422 25230 2 1 1 "Average Difference" HA 41 0.230 0.115 0.202 25230 3 1 1 "Average Difference" C 39 1.309 -0.455 1.243 25230 4 1 1 "Average Difference" CA 40 1.308 0.422 1.254 25230 5 1 1 "Average Difference" CB 40 1.327 0.275 1.314 25230 6 1 1 "Average Difference" HN 39 0.513 -0.074 0.514 25230 7 1 2 "Average Difference" N 39 3.084 -0.847 3.004 25230 8 1 2 "Average Difference" HA 41 0.244 0.108 0.222 25230 9 1 2 "Average Difference" C 39 1.406 -0.515 1.325 25230 10 1 2 "Average Difference" CA 40 1.369 0.353 1.340 25230 11 1 2 "Average Difference" CB 40 1.234 0.217 1.230 25230 12 1 2 "Average Difference" HN 39 0.515 -0.116 0.509 25230 13 1 3 "Average Difference" N 39 3.193 -0.513 3.192 25230 14 1 3 "Average Difference" HA 41 0.258 0.126 0.228 25230 15 1 3 "Average Difference" C 39 1.253 -0.440 1.189 25230 16 1 3 "Average Difference" CA 40 1.245 0.396 1.196 25230 17 1 3 "Average Difference" CB 40 1.269 0.271 1.256 25230 18 1 3 "Average Difference" HN 39 0.493 -0.091 0.491 25230 19 1 4 "Average Difference" N 39 2.994 -0.335 3.014 25230 20 1 4 "Average Difference" HA 41 0.241 0.130 0.205 25230 21 1 4 "Average Difference" C 39 1.289 -0.477 1.214 25230 22 1 4 "Average Difference" CA 40 1.352 0.314 1.331 25230 23 1 4 "Average Difference" CB 40 1.385 0.335 1.361 25230 24 1 4 "Average Difference" HN 39 0.415 -0.078 0.413 25230 25 1 5 "Average Difference" N 39 2.974 -0.672 2.935 25230 26 1 5 "Average Difference" HA 41 0.256 0.133 0.221 25230 27 1 5 "Average Difference" C 39 1.203 -0.412 1.145 25230 28 1 5 "Average Difference" CA 40 1.275 0.148 1.282 25230 29 1 5 "Average Difference" CB 40 1.282 0.274 1.269 25230 30 1 5 "Average Difference" HN 39 0.437 -0.120 0.425 25230 31 1 6 "Average Difference" N 39 3.462 -0.477 3.474 25230 32 1 6 "Average Difference" HA 41 0.248 0.154 0.197 25230 33 1 6 "Average Difference" C 39 1.322 -0.584 1.202 25230 34 1 6 "Average Difference" CA 40 1.280 0.246 1.272 25230 35 1 6 "Average Difference" CB 40 1.347 0.330 1.323 25230 36 1 6 "Average Difference" HN 39 0.506 -0.124 0.497 25230 37 1 7 "Average Difference" N 39 3.127 -0.711 3.085 25230 38 1 7 "Average Difference" HA 41 0.251 0.104 0.231 25230 39 1 7 "Average Difference" C 39 1.347 -0.501 1.267 25230 40 1 7 "Average Difference" CA 40 1.372 0.314 1.353 25230 41 1 7 "Average Difference" CB 40 1.302 0.138 1.311 25230 42 1 7 "Average Difference" HN 39 0.509 -0.137 0.497 25230 43 1 8 "Average Difference" N 39 3.470 -0.670 3.449 25230 44 1 8 "Average Difference" HA 41 0.263 0.129 0.232 25230 45 1 8 "Average Difference" C 39 1.241 -0.481 1.159 25230 46 1 8 "Average Difference" CA 40 1.262 0.267 1.249 25230 47 1 8 "Average Difference" CB 40 1.366 0.268 1.357 25230 48 1 8 "Average Difference" HN 39 0.452 -0.081 0.450 25230 49 1 9 "Average Difference" N 39 2.820 -0.440 2.821 25230 50 1 9 "Average Difference" HA 41 0.237 0.106 0.214 25230 51 1 9 "Average Difference" C 39 1.376 -0.468 1.310 25230 52 1 9 "Average Difference" CA 40 1.267 0.227 1.262 25230 53 1 9 "Average Difference" CB 40 1.397 0.223 1.396 25230 54 1 9 "Average Difference" HN 39 0.489 -0.102 0.484 25230 55 1 10 "Average Difference" N 39 3.168 -0.342 3.191 25230 56 1 10 "Average Difference" HA 41 0.234 0.132 0.196 25230 57 1 10 "Average Difference" C 39 1.203 -0.398 1.150 25230 58 1 10 "Average Difference" CA 40 1.267 0.281 1.251 25230 59 1 10 "Average Difference" CB 40 1.403 0.254 1.397 25230 60 1 10 "Average Difference" HN 39 0.506 -0.119 0.498 25230 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 25230 _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 HIS C C 2 177.389 177.389 174.326 3.063 25230 2 1 . 1 1 3 3 MET N N 3 122.082 122.082 120.658 1.424 25230 3 1 . 1 1 3 3 MET HA H 3 4.412 4.412 4.607 -0.195 25230 4 1 . 1 1 3 3 MET C C 3 176.544 176.544 175.797 0.747 25230 5 1 . 1 1 3 3 MET CA C 3 54.967 54.967 55.024 -0.057 25230 6 1 . 1 1 3 3 MET CB C 3 31.913 31.913 33.970 -2.057 25230 7 1 . 1 1 3 3 MET H H 3 8.448 8.448 8.202 0.246 25230 8 1 . 1 1 4 4 GLY N N 4 110.366 110.366 108.757 1.609 25230 9 1 . 1 1 4 4 GLY C C 4 173.781 173.781 173.373 0.408 25230 10 1 . 1 1 4 4 GLY CA C 4 44.584 44.584 45.262 -0.678 25230 11 1 . 1 1 4 4 GLY H H 4 8.459 8.459 8.401 0.058 25230 12 1 . 1 1 5 5 ALA N N 5 124.049 124.049 124.129 -0.080 25230 13 1 . 1 1 5 5 ALA HA H 5 4.297 4.297 4.503 -0.206 25230 14 1 . 1 1 5 5 ALA C C 5 177.465 177.465 175.485 1.980 25230 15 1 . 1 1 5 5 ALA CA C 5 51.884 51.884 51.641 0.243 25230 16 1 . 1 1 5 5 ALA CB C 5 18.921 18.921 18.935 -0.014 25230 17 1 . 1 1 5 5 ALA H H 5 8.253 8.253 8.301 -0.048 25230 18 1 . 1 1 6 6 ALA N N 6 123.132 123.132 121.349 1.783 25230 19 1 . 1 1 6 6 ALA HA H 6 4.281 4.281 4.515 -0.234 25230 20 1 . 1 1 6 6 ALA C C 6 177.249 177.249 176.204 1.044 25230 21 1 . 1 1 6 6 ALA CA C 6 51.851 51.851 51.983 -0.132 25230 22 1 . 1 1 6 6 ALA CB C 6 18.877 18.877 20.263 -1.386 25230 23 1 . 1 1 6 6 ALA H H 6 8.322 8.322 7.603 0.719 25230 24 1 . 1 1 7 7 ALA N N 7 123.675 123.675 121.939 1.736 25230 25 1 . 1 1 7 7 ALA HA H 7 4.263 4.263 4.370 -0.107 25230 26 1 . 1 1 7 7 ALA C C 7 177.348 177.348 177.183 0.165 25230 27 1 . 1 1 7 7 ALA CA C 7 51.585 51.585 53.484 -1.899 25230 28 1 . 1 1 7 7 ALA CB C 7 18.799 18.799 19.287 -0.488 25230 29 1 . 1 1 7 7 ALA H H 7 8.231 8.231 8.501 -0.270 25230 30 1 . 1 1 8 8 LEU N N 8 121.187 121.187 114.737 6.450 25230 31 1 . 1 1 8 8 LEU HA H 8 4.389 4.389 4.751 -0.362 25230 32 1 . 1 1 8 8 LEU C C 8 177.090 177.090 175.888 1.202 25230 33 1 . 1 1 8 8 LEU CA C 8 54.534 54.534 54.140 0.393 25230 34 1 . 1 1 8 8 LEU CB C 8 42.732 42.732 43.874 -1.142 25230 35 1 . 1 1 8 8 LEU H H 8 8.104 8.104 7.443 0.661 25230 36 1 . 1 1 9 9 ARG N N 9 121.721 121.721 119.223 2.498 25230 37 1 . 1 1 9 9 ARG HA H 9 4.486 4.486 4.614 -0.128 25230 38 1 . 1 1 9 9 ARG C C 9 176.109 176.109 175.081 1.028 25230 39 1 . 1 1 9 9 ARG CA C 9 55.761 55.761 56.292 -0.532 25230 40 1 . 1 1 9 9 ARG CB C 9 30.679 30.679 31.414 -0.735 25230 41 1 . 1 1 9 9 ARG H H 9 8.797 8.797 8.721 0.076 25230 42 1 . 1 1 10 10 SER N N 10 112.067 112.067 114.219 -2.152 25230 43 1 . 1 1 10 10 SER HA H 10 4.265 4.265 4.217 0.048 25230 44 1 . 1 1 10 10 SER C C 10 178.260 178.260 173.572 4.688 25230 45 1 . 1 1 10 10 SER CA C 10 55.374 55.374 57.053 -1.679 25230 46 1 . 1 1 10 10 SER CB C 10 64.945 64.945 65.357 -0.412 25230 47 1 . 1 1 10 10 SER H H 10 7.555 7.555 7.740 -0.185 25230 48 1 . 1 1 11 11 CYS N N 11 124.756 124.756 125.521 -0.765 25230 49 1 . 1 1 11 11 CYS HA H 11 4.198 4.198 4.304 -0.106 25230 50 1 . 1 1 11 11 CYS CA C 11 55.881 55.881 57.556 -1.674 25230 51 1 . 1 1 11 11 CYS CB C 11 30.802 30.802 27.006 3.796 25230 52 1 . 1 1 11 11 CYS H H 11 7.980 7.980 7.639 0.341 25230 53 1 . 1 1 12 12 PRO HA H 12 4.289 4.289 4.240 0.049 25230 54 1 . 1 1 12 12 PRO C C 12 176.179 176.179 176.295 -0.116 25230 55 1 . 1 1 12 12 PRO CA C 12 63.891 63.891 64.604 -0.713 25230 56 1 . 1 1 12 12 PRO CB C 12 31.799 31.799 31.508 0.291 25230 57 1 . 1 1 13 13 MET N N 13 119.495 119.495 117.722 1.773 25230 58 1 . 1 1 13 13 MET HA H 13 4.258 4.258 4.343 -0.085 25230 59 1 . 1 1 13 13 MET C C 13 176.255 176.255 176.841 -0.586 25230 60 1 . 1 1 13 13 MET CA C 13 57.472 57.472 57.402 0.070 25230 61 1 . 1 1 13 13 MET CB C 13 33.892 33.892 33.561 0.331 25230 62 1 . 1 1 13 13 MET H H 13 8.777 8.777 7.810 0.967 25230 63 1 . 1 1 14 14 CYS N N 14 118.342 118.342 115.366 2.976 25230 64 1 . 1 1 14 14 CYS HA H 14 4.883 4.883 4.805 0.078 25230 65 1 . 1 1 14 14 CYS C C 14 176.154 176.154 174.691 1.463 25230 66 1 . 1 1 14 14 CYS CA C 14 58.426 58.426 57.125 1.301 25230 67 1 . 1 1 14 14 CYS CB C 14 31.194 31.194 28.208 2.986 25230 68 1 . 1 1 14 14 CYS H H 14 8.280 8.280 7.769 0.511 25230 69 1 . 1 1 15 15 GLN N N 15 115.275 115.275 119.546 -4.271 25230 70 1 . 1 1 15 15 GLN HA H 15 3.891 3.891 3.837 0.054 25230 71 1 . 1 1 15 15 GLN C C 15 174.702 174.702 174.124 0.578 25230 72 1 . 1 1 15 15 GLN CA C 15 57.446 57.446 56.900 0.547 25230 73 1 . 1 1 15 15 GLN CB C 15 24.986 24.986 26.336 -1.350 25230 74 1 . 1 1 15 15 GLN H H 15 7.680 7.680 8.119 -0.439 25230 75 1 . 1 1 16 16 LYS N N 16 123.016 123.016 120.986 2.029 25230 76 1 . 1 1 16 16 LYS HA H 16 3.885 3.885 4.356 -0.471 25230 77 1 . 1 1 16 16 LYS C C 16 175.463 175.463 175.385 0.078 25230 78 1 . 1 1 16 16 LYS CA C 16 56.823 56.823 54.788 2.035 25230 79 1 . 1 1 16 16 LYS CB C 16 32.909 32.909 34.005 -1.097 25230 80 1 . 1 1 16 16 LYS H H 16 8.187 8.187 7.349 0.838 25230 81 1 . 1 1 17 17 GLU N N 17 124.246 124.246 127.863 -3.617 25230 82 1 . 1 1 17 17 GLU HA H 17 3.852 3.852 3.995 -0.143 25230 83 1 . 1 1 17 17 GLU CA C 17 55.638 55.638 57.296 -1.658 25230 84 1 . 1 1 17 17 GLU CB C 17 30.122 30.122 29.277 0.845 25230 85 1 . 1 1 17 17 GLU H H 17 8.422 8.422 8.652 -0.230 25230 86 1 . 1 1 18 18 PHE N N 18 124.027 124.027 124.832 -0.805 25230 87 1 . 1 1 18 18 PHE HA H 18 4.660 4.660 4.300 0.360 25230 88 1 . 1 1 18 18 PHE CA C 18 54.443 54.443 58.027 -3.584 25230 89 1 . 1 1 18 18 PHE CB C 18 37.669 37.669 39.409 -1.740 25230 90 1 . 1 1 18 18 PHE H H 18 7.998 7.998 7.764 0.234 25230 91 1 . 1 1 19 19 ALA N N 19 129.037 129.037 125.366 3.671 25230 92 1 . 1 1 19 19 ALA HA H 19 4.514 4.514 4.390 0.124 25230 93 1 . 1 1 19 19 ALA C C 19 176.379 176.379 175.961 0.418 25230 94 1 . 1 1 19 19 ALA CA C 19 50.459 50.459 51.126 -0.667 25230 95 1 . 1 1 19 19 ALA CB C 19 17.142 17.142 18.187 -1.045 25230 96 1 . 1 1 19 19 ALA H H 19 8.304 8.304 8.496 -0.192 25230 97 1 . 1 1 20 20 PRO HA H 20 4.300 4.300 4.420 -0.120 25230 98 1 . 1 1 20 20 PRO C C 20 176.955 176.955 176.444 0.511 25230 99 1 . 1 1 20 20 PRO CA C 20 64.247 64.247 62.823 1.424 25230 100 1 . 1 1 20 20 PRO CB C 20 31.452 31.452 32.616 -1.164 25230 101 1 . 1 1 21 21 ARG N N 21 111.617 111.617 113.519 -1.902 25230 102 1 . 1 1 21 21 ARG HA H 21 4.163 4.163 3.947 0.216 25230 103 1 . 1 1 21 21 ARG C C 21 176.779 176.779 175.352 1.427 25230 104 1 . 1 1 21 21 ARG CA C 21 55.705 55.705 57.116 -1.411 25230 105 1 . 1 1 21 21 ARG CB C 21 28.626 28.626 27.704 0.922 25230 106 1 . 1 1 21 21 ARG H H 21 7.599 7.599 8.473 -0.874 25230 107 1 . 1 1 22 22 LEU N N 22 121.114 121.114 114.971 6.143 25230 108 1 . 1 1 22 22 LEU HA H 22 4.319 4.319 4.700 -0.381 25230 109 1 . 1 1 22 22 LEU C C 22 177.933 177.933 176.821 1.112 25230 110 1 . 1 1 22 22 LEU CA C 22 55.270 55.270 53.657 1.613 25230 111 1 . 1 1 22 22 LEU CB C 22 41.182 41.182 42.732 -1.550 25230 112 1 . 1 1 22 22 LEU H H 22 7.512 7.512 7.692 -0.180 25230 113 1 . 1 1 23 23 THR N N 23 114.258 114.258 106.160 8.098 25230 114 1 . 1 1 23 23 THR HA H 23 4.360 4.360 4.634 -0.274 25230 115 1 . 1 1 23 23 THR C C 23 175.139 175.139 175.371 -0.232 25230 116 1 . 1 1 23 23 THR CA C 23 59.968 59.968 59.432 0.536 25230 117 1 . 1 1 23 23 THR CB C 23 70.887 70.887 71.697 -0.810 25230 118 1 . 1 1 23 23 THR H H 23 9.058 9.058 7.857 1.201 25230 119 1 . 1 1 24 24 GLN N N 24 120.754 120.754 120.597 0.157 25230 120 1 . 1 1 24 24 GLN HA H 24 3.713 3.713 3.998 -0.285 25230 121 1 . 1 1 24 24 GLN C C 24 177.591 177.591 178.031 -0.440 25230 122 1 . 1 1 24 24 GLN CA C 24 58.284 58.284 59.712 -1.428 25230 123 1 . 1 1 24 24 GLN CB C 24 28.206 28.206 28.171 0.035 25230 124 1 . 1 1 24 24 GLN H H 24 8.835 8.835 8.906 -0.072 25230 125 1 . 1 1 25 25 LEU N N 25 118.814 118.814 118.562 0.253 25230 126 1 . 1 1 25 25 LEU HA H 25 4.142 4.142 4.156 -0.014 25230 127 1 . 1 1 25 25 LEU C C 25 178.984 178.984 178.041 0.943 25230 128 1 . 1 1 25 25 LEU CA C 25 57.811 57.811 57.725 0.086 25230 129 1 . 1 1 25 25 LEU CB C 25 41.439 41.439 41.337 0.102 25230 130 1 . 1 1 25 25 LEU H H 25 7.899 7.899 8.087 -0.188 25230 131 1 . 1 1 26 26 ASP N N 26 120.208 120.208 119.969 0.239 25230 132 1 . 1 1 26 26 ASP HA H 26 4.211 4.211 4.304 -0.093 25230 133 1 . 1 1 26 26 ASP C C 26 179.490 179.490 178.567 0.923 25230 134 1 . 1 1 26 26 ASP CA C 26 56.819 56.819 57.750 -0.931 25230 135 1 . 1 1 26 26 ASP CB C 26 41.224 41.224 40.432 0.792 25230 136 1 . 1 1 26 26 ASP H H 26 7.553 7.553 7.641 -0.087 25230 137 1 . 1 1 27 27 VAL N N 27 123.015 123.015 118.464 4.551 25230 138 1 . 1 1 27 27 VAL HA H 27 2.807 2.807 2.835 -0.028 25230 139 1 . 1 1 27 27 VAL C C 27 177.068 177.068 177.625 -0.557 25230 140 1 . 1 1 27 27 VAL CA C 27 66.385 66.385 66.152 0.233 25230 141 1 . 1 1 27 27 VAL CB C 27 30.940 30.940 31.126 -0.186 25230 142 1 . 1 1 27 27 VAL H H 27 7.880 7.880 7.527 0.353 25230 143 1 . 1 1 28 28 ASP N N 28 120.893 120.893 120.377 0.516 25230 144 1 . 1 1 28 28 ASP HA H 28 4.036 4.036 4.423 -0.387 25230 145 1 . 1 1 28 28 ASP C C 28 177.819 177.819 179.070 -1.251 25230 146 1 . 1 1 28 28 ASP CA C 28 57.496 57.496 57.348 0.148 25230 147 1 . 1 1 28 28 ASP CB C 28 39.560 39.560 40.067 -0.507 25230 148 1 . 1 1 28 28 ASP H H 28 8.369 8.369 7.886 0.483 25230 149 1 . 1 1 29 29 SER N N 29 112.819 112.819 116.001 -3.182 25230 150 1 . 1 1 29 29 SER C C 29 177.067 177.067 176.491 0.576 25230 151 1 . 1 1 29 29 SER CB C 29 62.305 62.305 63.249 -0.944 25230 152 1 . 1 1 29 29 SER H H 29 7.894 7.894 8.376 -0.482 25230 153 1 . 1 1 30 30 HIS N N 30 120.983 120.983 121.692 -0.709 25230 154 1 . 1 1 30 30 HIS HA H 30 4.037 4.037 4.465 -0.428 25230 155 1 . 1 1 30 30 HIS C C 30 177.079 177.079 177.554 -0.475 25230 156 1 . 1 1 30 30 HIS CA C 30 60.141 60.141 59.170 0.971 25230 157 1 . 1 1 30 30 HIS CB C 30 27.086 27.086 30.114 -3.028 25230 158 1 . 1 1 30 30 HIS H H 30 7.619 7.619 7.580 0.039 25230 159 1 . 1 1 31 31 LEU N N 31 118.614 118.614 120.286 -1.672 25230 160 1 . 1 1 31 31 LEU HA H 31 3.728 3.728 4.130 -0.402 25230 161 1 . 1 1 31 31 LEU C C 31 178.111 178.111 179.159 -1.048 25230 162 1 . 1 1 31 31 LEU CA C 31 57.531 57.531 58.095 -0.564 25230 163 1 . 1 1 31 31 LEU CB C 31 41.663 41.663 41.620 0.043 25230 164 1 . 1 1 31 31 LEU H H 31 8.657 8.657 8.423 0.234 25230 165 1 . 1 1 32 32 ALA N N 32 119.459 119.459 120.791 -1.332 25230 166 1 . 1 1 32 32 ALA HA H 32 3.767 3.767 4.048 -0.281 25230 167 1 . 1 1 32 32 ALA C C 32 178.082 178.082 179.592 -1.510 25230 168 1 . 1 1 32 32 ALA CA C 32 54.601 54.601 55.373 -0.772 25230 169 1 . 1 1 32 32 ALA CB C 32 17.854 17.854 18.212 -0.357 25230 170 1 . 1 1 32 32 ALA H H 32 8.296 8.296 8.213 0.083 25230 171 1 . 1 1 33 33 GLN N N 33 117.648 117.648 118.035 -0.387 25230 172 1 . 1 1 33 33 GLN HA H 33 3.878 3.878 4.025 -0.147 25230 173 1 . 1 1 33 33 GLN C C 33 178.653 178.653 178.155 0.498 25230 174 1 . 1 1 33 33 GLN CA C 33 58.477 58.477 58.602 -0.125 25230 175 1 . 1 1 33 33 GLN CB C 33 27.623 27.623 28.478 -0.855 25230 176 1 . 1 1 33 33 GLN H H 33 7.537 7.537 7.652 -0.115 25230 177 1 . 1 1 34 34 CYS N N 34 119.676 119.676 119.416 0.260 25230 178 1 . 1 1 34 34 CYS HA H 34 3.848 3.848 4.163 -0.315 25230 179 1 . 1 1 34 34 CYS C C 34 178.744 178.744 177.209 1.535 25230 180 1 . 1 1 34 34 CYS CA C 34 65.538 65.538 63.044 2.494 25230 181 1 . 1 1 34 34 CYS CB C 34 26.753 26.753 26.292 0.461 25230 182 1 . 1 1 34 34 CYS H H 34 8.265 8.265 8.573 -0.308 25230 183 1 . 1 1 35 35 LEU N N 35 122.036 122.036 121.510 0.526 25230 184 1 . 1 1 35 35 LEU HA H 35 4.238 4.238 4.126 0.112 25230 185 1 . 1 1 35 35 LEU C C 35 179.090 179.090 179.058 0.032 25230 186 1 . 1 1 35 35 LEU CA C 35 57.022 57.022 57.870 -0.848 25230 187 1 . 1 1 35 35 LEU CB C 35 41.168 41.168 41.924 -0.756 25230 188 1 . 1 1 35 35 LEU H H 35 8.764 8.764 7.906 0.858 25230 189 1 . 1 1 36 36 ALA N N 36 121.371 121.371 120.073 1.298 25230 190 1 . 1 1 36 36 ALA HA H 36 3.896 3.896 4.087 -0.191 25230 191 1 . 1 1 36 36 ALA C C 36 179.254 179.254 178.732 0.522 25230 192 1 . 1 1 36 36 ALA CA C 36 54.240 54.240 54.461 -0.221 25230 193 1 . 1 1 36 36 ALA CB C 36 18.519 18.519 18.656 -0.137 25230 194 1 . 1 1 36 36 ALA H H 36 8.169 8.169 7.822 0.347 25230 195 1 . 1 1 37 37 GLU N N 37 114.105 114.105 116.894 -2.789 25230 196 1 . 1 1 37 37 GLU HA H 37 4.208 4.208 4.353 -0.145 25230 197 1 . 1 1 37 37 GLU C C 37 176.714 176.714 176.588 0.126 25230 198 1 . 1 1 37 37 GLU CA C 37 55.830 55.830 56.529 -0.699 25230 199 1 . 1 1 37 37 GLU CB C 37 29.922 29.922 30.273 -0.351 25230 200 1 . 1 1 37 37 GLU H H 37 7.374 7.374 7.939 -0.565 25230 201 1 . 1 1 38 38 SER N N 38 115.555 115.555 114.705 0.850 25230 202 1 . 1 1 38 38 SER HA H 38 4.423 4.423 4.496 -0.073 25230 203 1 . 1 1 38 38 SER C C 38 176.119 176.119 174.752 1.367 25230 204 1 . 1 1 38 38 SER CA C 38 58.229 58.229 57.992 0.237 25230 205 1 . 1 1 38 38 SER CB C 38 63.245 63.245 64.306 -1.061 25230 206 1 . 1 1 38 38 SER H H 38 7.486 7.486 7.816 -0.330 25230 207 1 . 1 1 39 39 THR N N 39 120.165 120.165 115.586 4.579 25230 208 1 . 1 1 39 39 THR HA H 39 4.148 4.148 4.415 -0.267 25230 209 1 . 1 1 39 39 THR C C 39 174.936 174.936 174.749 0.187 25230 210 1 . 1 1 39 39 THR CA C 39 63.523 63.523 62.750 0.773 25230 211 1 . 1 1 39 39 THR CB C 39 68.170 68.170 69.128 -0.958 25230 212 1 . 1 1 39 39 THR H H 39 8.894 8.894 8.371 0.523 25230 213 1 . 1 1 40 40 GLU N N 40 119.436 119.436 122.150 -2.714 25230 214 1 . 1 1 40 40 GLU HA H 40 4.471 4.471 4.458 0.013 25230 215 1 . 1 1 40 40 GLU C C 40 175.888 175.888 175.531 0.357 25230 216 1 . 1 1 40 40 GLU CA C 40 54.035 54.035 56.176 -2.142 25230 217 1 . 1 1 40 40 GLU CB C 40 31.340 31.340 30.863 0.477 25230 218 1 . 1 1 40 40 GLU H H 40 7.962 7.962 7.907 0.055 25230 219 1 . 1 1 41 41 ASP N N 41 122.486 122.486 123.681 -1.195 25230 220 1 . 1 1 41 41 ASP HA H 41 4.489 4.489 4.745 -0.256 25230 221 1 . 1 1 41 41 ASP C C 41 175.466 175.466 175.570 -0.104 25230 222 1 . 1 1 41 41 ASP CA C 41 54.124 54.124 54.091 0.033 25230 223 1 . 1 1 41 41 ASP CB C 41 39.747 39.747 39.962 -0.215 25230 224 1 . 1 1 41 41 ASP H H 41 8.748 8.748 8.604 0.144 25230 225 1 . 1 1 42 42 VAL N N 42 120.843 120.843 119.276 1.567 25230 226 1 . 1 1 42 42 VAL HA H 42 4.307 4.307 4.313 -0.006 25230 227 1 . 1 1 42 42 VAL C C 42 174.810 174.810 175.968 -1.158 25230 228 1 . 1 1 42 42 VAL CA C 42 61.108 61.108 61.742 -0.634 25230 229 1 . 1 1 42 42 VAL CB C 42 34.251 34.251 32.687 1.564 25230 230 1 . 1 1 42 42 VAL H H 42 7.506 7.506 7.772 -0.266 25230 231 1 . 1 1 43 43 THR N N 43 117.225 117.225 121.966 -4.741 25230 232 1 . 1 1 43 43 THR HA H 43 4.310 4.310 4.478 -0.168 25230 233 1 . 1 1 43 43 THR C C 43 172.690 172.690 173.740 -1.050 25230 234 1 . 1 1 43 43 THR CA C 43 60.110 60.110 62.074 -1.964 25230 235 1 . 1 1 43 43 THR CB C 43 70.453 70.453 69.089 1.364 25230 236 1 . 1 1 43 43 THR H H 43 8.259 8.259 8.332 -0.073 25230 stop_ save_