data_19300 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19300 _Entry.PDB_ID 2M9L 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 19300 _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 CYS N N 2 120.737 120.737 119.244 1.493 19300 2 1 1 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.568 0.256 19300 3 1 1 . 1 1 2 2 CYS H H 2 8.701 8.701 8.366 0.335 19300 4 1 1 . 1 1 3 3 ARG N N 3 120.701 120.701 122.620 -1.919 19300 5 1 1 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.730 -0.352 19300 6 1 1 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.181 2.973 19300 7 1 1 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.331 -0.606 19300 8 1 1 . 1 1 3 3 ARG H H 3 8.970 8.970 8.299 0.671 19300 9 1 1 . 1 1 4 4 TYR N N 4 122.006 122.006 119.728 2.278 19300 10 1 1 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.672 -0.382 19300 11 1 1 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.284 1.052 19300 12 1 1 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.064 0.033 19300 13 1 1 . 1 1 4 4 TYR H H 4 8.190 8.190 7.996 0.194 19300 14 1 1 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.192 -0.578 19300 15 1 1 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.320 1.166 19300 16 1 1 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.971 -0.311 19300 17 1 1 . 1 1 6 6 LEU N N 6 121.148 121.148 119.903 1.245 19300 18 1 1 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.065 -0.105 19300 19 1 1 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.962 2.057 19300 20 1 1 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.873 -0.622 19300 21 1 1 . 1 1 6 6 LEU H H 6 8.701 8.701 8.493 0.208 19300 22 1 1 . 1 1 7 7 GLY N N 7 110.200 110.200 105.414 4.786 19300 23 1 1 . 1 1 7 7 GLY CA C 7 44.810 44.810 44.965 -0.155 19300 24 1 1 . 1 1 7 7 GLY H H 7 8.947 8.947 7.780 1.167 19300 25 1 1 . 1 1 8 8 GLY N N 8 110.973 110.973 107.931 3.042 19300 26 1 1 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.391 2.211 19300 27 1 1 . 1 1 8 8 GLY H H 8 8.699 8.699 8.057 0.642 19300 28 1 1 . 1 1 9 9 CYS N N 9 117.019 117.019 118.360 -1.341 19300 29 1 1 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.680 0.532 19300 30 1 1 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.503 -2.323 19300 31 1 1 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.562 16.357 19300 32 1 1 . 1 1 9 9 CYS H H 9 8.407 8.407 8.286 0.121 19300 33 1 1 . 1 1 10 10 SER N N 10 116.524 116.524 115.234 1.290 19300 34 1 1 . 1 1 10 10 SER HA H 10 4.384 4.384 4.467 -0.083 19300 35 1 1 . 1 1 10 10 SER CA C 10 59.172 59.172 58.141 1.031 19300 36 1 1 . 1 1 10 10 SER CB C 10 63.793 63.793 64.756 -0.963 19300 37 1 1 . 1 1 10 10 SER H H 10 8.180 8.180 8.126 0.054 19300 38 1 1 . 1 1 11 11 ALA N N 11 124.635 124.635 124.885 -0.250 19300 39 1 1 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.305 0.154 19300 40 1 1 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.909 -1.244 19300 41 1 1 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.791 -0.605 19300 42 1 1 . 1 1 11 11 ALA H H 11 8.648 8.648 8.480 0.168 19300 43 1 1 . 1 1 12 12 GLY N N 12 106.219 106.219 105.483 0.736 19300 44 1 1 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.099 0.232 19300 45 1 1 . 1 1 12 12 GLY H H 12 8.060 8.060 8.291 -0.231 19300 46 1 1 . 1 1 13 13 GLN N N 13 121.578 121.578 120.093 1.485 19300 47 1 1 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.718 -0.407 19300 48 1 1 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.195 0.959 19300 49 1 1 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.623 -2.945 19300 50 1 1 . 1 1 13 13 GLN H H 13 8.394 8.394 7.299 1.095 19300 51 1 1 . 1 1 14 14 THR N N 14 115.982 115.982 113.239 2.743 19300 52 1 1 . 1 1 14 14 THR HA H 14 4.359 4.359 4.605 -0.246 19300 53 1 1 . 1 1 14 14 THR CA C 14 61.622 61.622 60.992 0.630 19300 54 1 1 . 1 1 14 14 THR CB C 14 70.762 70.762 71.887 -1.125 19300 55 1 1 . 1 1 14 14 THR H H 14 8.310 8.310 8.277 0.033 19300 56 1 1 . 1 1 15 15 CYS N N 15 123.244 123.244 120.097 3.147 19300 57 1 1 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.882 0.176 19300 58 1 1 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.399 -3.524 19300 59 1 1 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.446 12.767 19300 60 1 1 . 1 1 15 15 CYS H H 15 8.996 8.996 8.489 0.507 19300 61 1 1 . 1 1 16 16 CYS N N 16 121.708 121.708 122.780 -1.072 19300 62 1 1 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.343 0.211 19300 63 1 1 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.046 -6.236 19300 64 1 1 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.041 11.627 19300 65 1 1 . 1 1 16 16 CYS H H 16 9.380 9.380 8.950 0.430 19300 66 1 1 . 1 1 17 17 LYS N N 17 117.934 117.934 121.647 -3.713 19300 67 1 1 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.146 -0.165 19300 68 1 1 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.825 0.509 19300 69 1 1 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.123 -0.608 19300 70 1 1 . 1 1 17 17 LYS H H 17 7.931 7.931 8.706 -0.775 19300 71 1 1 . 1 1 18 18 HIS N N 18 112.381 112.381 114.610 -2.229 19300 72 1 1 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.398 -0.018 19300 73 1 1 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.390 -2.941 19300 74 1 1 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.468 -2.633 19300 75 1 1 . 1 1 18 18 HIS H H 18 8.601 8.601 8.846 -0.245 19300 76 1 1 . 1 1 19 19 LEU N N 19 119.252 119.252 116.726 2.526 19300 77 1 1 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.505 -0.206 19300 78 1 1 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.619 0.404 19300 79 1 1 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.035 -1.680 19300 80 1 1 . 1 1 19 19 LEU H H 19 8.094 8.094 7.459 0.635 19300 81 1 1 . 1 1 20 20 VAL N N 20 116.729 116.729 113.043 3.686 19300 82 1 1 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.519 -0.011 19300 83 1 1 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.553 -0.292 19300 84 1 1 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.540 0.363 19300 85 1 1 . 1 1 20 20 VAL H H 20 9.548 9.548 8.865 0.683 19300 86 1 1 . 1 1 21 21 CYS N N 21 123.437 123.437 126.149 -2.712 19300 87 1 1 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.437 0.166 19300 88 1 1 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.393 -2.992 19300 89 1 1 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.018 14.342 19300 90 1 1 . 1 1 21 21 CYS H H 21 8.936 8.936 8.916 0.020 19300 91 1 1 . 1 1 22 22 SER N N 22 124.898 124.898 123.863 1.035 19300 92 1 1 . 1 1 22 22 SER HA H 22 4.458 4.458 4.363 0.095 19300 93 1 1 . 1 1 22 22 SER CA C 22 57.364 57.364 57.787 -0.423 19300 94 1 1 . 1 1 22 22 SER CB C 22 63.430 63.430 63.395 0.035 19300 95 1 1 . 1 1 22 22 SER H H 22 8.349 8.349 8.126 0.223 19300 96 1 1 . 1 1 23 23 ARG N N 23 132.391 132.391 127.955 4.436 19300 97 1 1 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.081 -0.079 19300 98 1 1 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.528 0.003 19300 99 1 1 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.043 -0.442 19300 100 1 1 . 1 1 23 23 ARG H H 23 9.009 9.009 8.450 0.559 19300 101 1 1 . 1 1 24 24 ARG N N 24 117.241 117.241 117.087 0.154 19300 102 1 1 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.180 -0.256 19300 103 1 1 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.546 0.202 19300 104 1 1 . 1 1 24 24 ARG CB C 24 30.406 30.406 29.953 0.453 19300 105 1 1 . 1 1 24 24 ARG H H 24 7.945 7.945 8.026 -0.081 19300 106 1 1 . 1 1 25 25 HIS N N 25 111.143 111.143 115.042 -3.899 19300 107 1 1 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.060 0.169 19300 108 1 1 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.579 -1.628 19300 109 1 1 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.046 -2.067 19300 110 1 1 . 1 1 25 25 HIS H H 25 7.326 7.326 7.410 -0.084 19300 111 1 1 . 1 1 26 26 GLY N N 26 106.585 106.585 106.313 0.272 19300 112 1 1 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.909 1.683 19300 113 1 1 . 1 1 26 26 GLY H H 26 8.257 8.257 8.218 0.039 19300 114 1 1 . 1 1 27 27 TRP N N 27 114.076 114.076 117.011 -2.935 19300 115 1 1 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300 116 1 1 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.676 0.122 19300 117 1 1 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.725 1.091 19300 118 1 1 . 1 1 27 27 TRP H H 27 6.816 6.816 7.081 -0.265 19300 119 1 1 . 1 1 28 28 CYS N N 28 120.417 120.417 121.869 -1.452 19300 120 1 1 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.011 0.017 19300 121 1 1 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.837 -3.690 19300 122 1 1 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.547 16.039 19300 123 1 1 . 1 1 28 28 CYS H H 28 8.856 8.856 9.110 -0.254 19300 124 1 1 . 1 1 29 29 VAL N N 29 117.638 117.638 117.509 0.129 19300 125 1 1 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.928 0.000 19300 126 1 1 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.542 -0.195 19300 127 1 1 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.997 0.530 19300 128 1 1 . 1 1 29 29 VAL H H 29 9.648 9.648 8.963 0.685 19300 129 1 1 . 1 1 30 30 TRP N N 30 120.857 120.857 121.489 -0.632 19300 130 1 1 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.684 0.210 19300 131 1 1 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.605 1.589 19300 132 1 1 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.490 0.390 19300 133 1 1 . 1 1 30 30 TRP H H 30 7.875 7.875 8.755 -0.880 19300 134 1 1 . 1 1 31 31 ASP N N 31 122.575 122.575 125.353 -2.778 19300 135 1 1 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.695 -0.171 19300 136 1 1 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.506 -1.351 19300 137 1 1 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.062 -0.530 19300 138 1 1 . 1 1 31 31 ASP H H 31 8.813 8.813 8.394 0.419 19300 139 1 1 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.949 -0.217 19300 140 1 1 . 1 1 32 32 GLY H H 32 8.070 8.070 9.025 -0.955 19300 141 1 1 . 1 1 33 33 THR N N 33 113.474 113.474 115.898 -2.424 19300 142 1 1 . 1 1 33 33 THR HA H 33 4.311 4.311 4.552 -0.241 19300 143 1 1 . 1 1 33 33 THR CA C 33 62.204 62.204 62.561 -0.357 19300 144 1 1 . 1 1 33 33 THR CB C 33 70.173 70.173 70.321 -0.148 19300 145 1 1 . 1 1 33 33 THR H H 33 8.040 8.040 7.875 0.165 19300 146 1 1 . 1 1 34 34 PHE N N 34 121.941 121.941 122.953 -1.012 19300 147 1 1 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.563 0.007 19300 148 1 1 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.381 0.521 19300 149 1 1 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.016 0.658 19300 150 1 1 . 1 1 34 34 PHE H H 34 8.282 8.282 8.204 0.078 19300 151 1 2 . 1 1 2 2 CYS N N 2 120.737 120.737 119.985 0.752 19300 152 1 2 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.583 0.241 19300 153 1 2 . 1 1 2 2 CYS H H 2 8.701 8.701 8.388 0.313 19300 154 1 2 . 1 1 3 3 ARG N N 3 120.701 120.701 122.631 -1.930 19300 155 1 2 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.720 -0.342 19300 156 1 2 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.179 2.975 19300 157 1 2 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.268 -0.543 19300 158 1 2 . 1 1 3 3 ARG H H 3 8.970 8.970 8.290 0.680 19300 159 1 2 . 1 1 4 4 TYR N N 4 122.006 122.006 119.774 2.232 19300 160 1 2 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.665 -0.375 19300 161 1 2 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.280 1.056 19300 162 1 2 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.060 0.037 19300 163 1 2 . 1 1 4 4 TYR H H 4 8.190 8.190 7.998 0.192 19300 164 1 2 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.190 -0.576 19300 165 1 2 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.325 1.161 19300 166 1 2 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.971 -0.311 19300 167 1 2 . 1 1 6 6 LEU N N 6 121.148 121.148 120.791 0.357 19300 168 1 2 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.045 -0.085 19300 169 1 2 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.742 2.277 19300 170 1 2 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.069 -0.818 19300 171 1 2 . 1 1 6 6 LEU H H 6 8.701 8.701 8.588 0.113 19300 172 1 2 . 1 1 7 7 GLY N N 7 110.200 110.200 107.550 2.650 19300 173 1 2 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.298 -0.488 19300 174 1 2 . 1 1 7 7 GLY H H 7 8.947 8.947 7.966 0.981 19300 175 1 2 . 1 1 8 8 GLY N N 8 110.973 110.973 106.913 4.060 19300 176 1 2 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.440 2.162 19300 177 1 2 . 1 1 8 8 GLY H H 8 8.699 8.699 7.980 0.719 19300 178 1 2 . 1 1 9 9 CYS N N 9 117.019 117.019 117.980 -0.961 19300 179 1 2 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.666 0.546 19300 180 1 2 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.398 -2.218 19300 181 1 2 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.687 16.232 19300 182 1 2 . 1 1 9 9 CYS H H 9 8.407 8.407 8.247 0.160 19300 183 1 2 . 1 1 10 10 SER N N 10 116.524 116.524 115.098 1.426 19300 184 1 2 . 1 1 10 10 SER HA H 10 4.384 4.384 4.449 -0.065 19300 185 1 2 . 1 1 10 10 SER CA C 10 59.172 59.172 58.450 0.722 19300 186 1 2 . 1 1 10 10 SER CB C 10 63.793 63.793 64.675 -0.882 19300 187 1 2 . 1 1 10 10 SER H H 10 8.180 8.180 8.151 0.029 19300 188 1 2 . 1 1 11 11 ALA N N 11 124.635 124.635 124.222 0.413 19300 189 1 2 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.325 0.134 19300 190 1 2 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.802 -1.137 19300 191 1 2 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.621 -0.435 19300 192 1 2 . 1 1 11 11 ALA H H 11 8.648 8.648 8.458 0.190 19300 193 1 2 . 1 1 12 12 GLY N N 12 106.219 106.219 105.612 0.607 19300 194 1 2 . 1 1 12 12 GLY CA C 12 45.331 45.331 44.847 0.484 19300 195 1 2 . 1 1 12 12 GLY H H 12 8.060 8.060 7.969 0.091 19300 196 1 2 . 1 1 13 13 GLN N N 13 121.578 121.578 119.990 1.588 19300 197 1 2 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.728 -0.417 19300 198 1 2 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.141 1.013 19300 199 1 2 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.403 -2.724 19300 200 1 2 . 1 1 13 13 GLN H H 13 8.394 8.394 7.320 1.074 19300 201 1 2 . 1 1 14 14 THR N N 14 115.982 115.982 113.192 2.790 19300 202 1 2 . 1 1 14 14 THR HA H 14 4.359 4.359 4.640 -0.281 19300 203 1 2 . 1 1 14 14 THR CA C 14 61.622 61.622 61.076 0.546 19300 204 1 2 . 1 1 14 14 THR CB C 14 70.762 70.762 71.885 -1.123 19300 205 1 2 . 1 1 14 14 THR H H 14 8.310 8.310 8.317 -0.007 19300 206 1 2 . 1 1 15 15 CYS N N 15 123.244 123.244 119.864 3.380 19300 207 1 2 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.839 0.219 19300 208 1 2 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.522 -3.647 19300 209 1 2 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.022 12.191 19300 210 1 2 . 1 1 15 15 CYS H H 15 8.996 8.996 8.527 0.469 19300 211 1 2 . 1 1 16 16 CYS N N 16 121.708 121.708 122.769 -1.061 19300 212 1 2 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.302 0.252 19300 213 1 2 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.951 -6.141 19300 214 1 2 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.028 11.640 19300 215 1 2 . 1 1 16 16 CYS H H 16 9.380 9.380 8.925 0.455 19300 216 1 2 . 1 1 17 17 LYS N N 17 117.934 117.934 121.459 -3.525 19300 217 1 2 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.006 -0.025 19300 218 1 2 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.703 0.631 19300 219 1 2 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.810 -0.296 19300 220 1 2 . 1 1 17 17 LYS H H 17 7.931 7.931 8.577 -0.646 19300 221 1 2 . 1 1 18 18 HIS N N 18 112.381 112.381 113.130 -0.749 19300 222 1 2 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.363 0.017 19300 223 1 2 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.081 -2.632 19300 224 1 2 . 1 1 18 18 HIS CB C 18 26.835 26.835 28.684 -1.849 19300 225 1 2 . 1 1 18 18 HIS H H 18 8.601 8.601 8.714 -0.113 19300 226 1 2 . 1 1 19 19 LEU N N 19 119.252 119.252 117.181 2.071 19300 227 1 2 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.490 -0.191 19300 228 1 2 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.611 0.412 19300 229 1 2 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.010 -1.655 19300 230 1 2 . 1 1 19 19 LEU H H 19 8.094 8.094 7.402 0.692 19300 231 1 2 . 1 1 20 20 VAL N N 20 116.729 116.729 113.108 3.621 19300 232 1 2 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.496 0.012 19300 233 1 2 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.767 -0.505 19300 234 1 2 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.680 0.223 19300 235 1 2 . 1 1 20 20 VAL H H 20 9.548 9.548 8.779 0.769 19300 236 1 2 . 1 1 21 21 CYS N N 21 123.437 123.437 125.772 -2.335 19300 237 1 2 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.501 0.102 19300 238 1 2 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.692 -3.291 19300 239 1 2 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.085 14.275 19300 240 1 2 . 1 1 21 21 CYS H H 21 8.936 8.936 8.855 0.081 19300 241 1 2 . 1 1 22 22 SER N N 22 124.898 124.898 122.758 2.140 19300 242 1 2 . 1 1 22 22 SER HA H 22 4.458 4.458 4.365 0.093 19300 243 1 2 . 1 1 22 22 SER CA C 22 57.364 57.364 57.709 -0.345 19300 244 1 2 . 1 1 22 22 SER CB C 22 63.430 63.430 63.189 0.241 19300 245 1 2 . 1 1 22 22 SER H H 22 8.349 8.349 8.092 0.257 19300 246 1 2 . 1 1 23 23 ARG N N 23 132.391 132.391 127.634 4.757 19300 247 1 2 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.076 -0.074 19300 248 1 2 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.602 -0.071 19300 249 1 2 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.056 -0.455 19300 250 1 2 . 1 1 23 23 ARG H H 23 9.009 9.009 8.281 0.728 19300 251 1 2 . 1 1 24 24 ARG N N 24 117.241 117.241 117.349 -0.108 19300 252 1 2 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.187 -0.263 19300 253 1 2 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.451 0.297 19300 254 1 2 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.415 -0.009 19300 255 1 2 . 1 1 24 24 ARG H H 24 7.945 7.945 8.009 -0.064 19300 256 1 2 . 1 1 25 25 HIS N N 25 111.143 111.143 115.581 -4.438 19300 257 1 2 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.960 0.269 19300 258 1 2 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.955 -2.003 19300 259 1 2 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.064 -2.085 19300 260 1 2 . 1 1 25 25 HIS H H 25 7.326 7.326 7.507 -0.181 19300 261 1 2 . 1 1 26 26 GLY N N 26 106.585 106.585 106.115 0.470 19300 262 1 2 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.877 1.715 19300 263 1 2 . 1 1 26 26 GLY H H 26 8.257 8.257 8.232 0.025 19300 264 1 2 . 1 1 27 27 TRP N N 27 114.076 114.076 117.038 -2.962 19300 265 1 2 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.025 0.560 19300 266 1 2 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.661 0.137 19300 267 1 2 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.736 1.080 19300 268 1 2 . 1 1 27 27 TRP H H 27 6.816 6.816 7.058 -0.242 19300 269 1 2 . 1 1 28 28 CYS N N 28 120.417 120.417 122.072 -1.655 19300 270 1 2 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.988 0.040 19300 271 1 2 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.511 -4.364 19300 272 1 2 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.223 16.363 19300 273 1 2 . 1 1 28 28 CYS H H 28 8.856 8.856 9.163 -0.307 19300 274 1 2 . 1 1 29 29 VAL N N 29 117.638 117.638 118.390 -0.752 19300 275 1 2 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.867 0.061 19300 276 1 2 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.802 0.545 19300 277 1 2 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.489 1.038 19300 278 1 2 . 1 1 29 29 VAL H H 29 9.648 9.648 8.951 0.697 19300 279 1 2 . 1 1 30 30 TRP N N 30 120.857 120.857 122.011 -1.154 19300 280 1 2 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.699 0.195 19300 281 1 2 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.778 1.415 19300 282 1 2 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.400 0.480 19300 283 1 2 . 1 1 30 30 TRP H H 30 7.875 7.875 8.718 -0.843 19300 284 1 2 . 1 1 31 31 ASP N N 31 122.575 122.575 125.091 -2.516 19300 285 1 2 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.769 -0.245 19300 286 1 2 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.526 -1.371 19300 287 1 2 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.229 -0.697 19300 288 1 2 . 1 1 31 31 ASP H H 31 8.813 8.813 8.440 0.373 19300 289 1 2 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.939 -0.207 19300 290 1 2 . 1 1 32 32 GLY H H 32 8.070 8.070 9.069 -0.999 19300 291 1 2 . 1 1 33 33 THR N N 33 113.474 113.474 115.466 -1.992 19300 292 1 2 . 1 1 33 33 THR HA H 33 4.311 4.311 4.534 -0.223 19300 293 1 2 . 1 1 33 33 THR CA C 33 62.204 62.204 62.501 -0.297 19300 294 1 2 . 1 1 33 33 THR CB C 33 70.173 70.173 70.151 0.022 19300 295 1 2 . 1 1 33 33 THR H H 33 8.040 8.040 7.838 0.202 19300 296 1 2 . 1 1 34 34 PHE N N 34 121.941 121.941 121.712 0.229 19300 297 1 2 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.532 0.038 19300 298 1 2 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.708 0.194 19300 299 1 2 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.140 0.534 19300 300 1 2 . 1 1 34 34 PHE H H 34 8.282 8.282 8.145 0.137 19300 301 1 3 . 1 1 2 2 CYS N N 2 120.737 120.737 118.509 2.228 19300 302 1 3 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.615 0.209 19300 303 1 3 . 1 1 2 2 CYS H H 2 8.701 8.701 8.271 0.430 19300 304 1 3 . 1 1 3 3 ARG N N 3 120.701 120.701 122.575 -1.874 19300 305 1 3 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.730 -0.352 19300 306 1 3 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.184 2.970 19300 307 1 3 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.342 -0.616 19300 308 1 3 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300 309 1 3 . 1 1 4 4 TYR N N 4 122.006 122.006 119.782 2.224 19300 310 1 3 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.674 -0.384 19300 311 1 3 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.299 1.037 19300 312 1 3 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.059 0.038 19300 313 1 3 . 1 1 4 4 TYR H H 4 8.190 8.190 8.003 0.187 19300 314 1 3 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.181 -0.567 19300 315 1 3 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.314 1.172 19300 316 1 3 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.937 -0.277 19300 317 1 3 . 1 1 6 6 LEU N N 6 121.148 121.148 120.832 0.316 19300 318 1 3 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.037 -0.077 19300 319 1 3 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.740 2.279 19300 320 1 3 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.077 -0.826 19300 321 1 3 . 1 1 6 6 LEU H H 6 8.701 8.701 8.596 0.105 19300 322 1 3 . 1 1 7 7 GLY N N 7 110.200 110.200 106.601 3.599 19300 323 1 3 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.323 -0.513 19300 324 1 3 . 1 1 7 7 GLY H H 7 8.947 8.947 8.060 0.887 19300 325 1 3 . 1 1 8 8 GLY N N 8 110.973 110.973 105.746 5.227 19300 326 1 3 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.352 2.250 19300 327 1 3 . 1 1 8 8 GLY H H 8 8.699 8.699 7.861 0.838 19300 328 1 3 . 1 1 9 9 CYS N N 9 117.019 117.019 118.344 -1.325 19300 329 1 3 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.644 0.568 19300 330 1 3 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.442 -2.262 19300 331 1 3 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.855 15.064 19300 332 1 3 . 1 1 9 9 CYS H H 9 8.407 8.407 8.160 0.247 19300 333 1 3 . 1 1 10 10 SER N N 10 116.524 116.524 115.268 1.256 19300 334 1 3 . 1 1 10 10 SER HA H 10 4.384 4.384 4.467 -0.083 19300 335 1 3 . 1 1 10 10 SER CA C 10 59.172 59.172 58.077 1.095 19300 336 1 3 . 1 1 10 10 SER CB C 10 63.793 63.793 64.656 -0.863 19300 337 1 3 . 1 1 10 10 SER H H 10 8.180 8.180 8.114 0.066 19300 338 1 3 . 1 1 11 11 ALA N N 11 124.635 124.635 124.820 -0.185 19300 339 1 3 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.313 0.146 19300 340 1 3 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.998 -1.333 19300 341 1 3 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.770 -0.584 19300 342 1 3 . 1 1 11 11 ALA H H 11 8.648 8.648 8.503 0.145 19300 343 1 3 . 1 1 12 12 GLY N N 12 106.219 106.219 105.708 0.511 19300 344 1 3 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.151 0.180 19300 345 1 3 . 1 1 12 12 GLY H H 12 8.060 8.060 8.389 -0.329 19300 346 1 3 . 1 1 13 13 GLN N N 13 121.578 121.578 120.008 1.570 19300 347 1 3 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.721 -0.410 19300 348 1 3 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.212 0.942 19300 349 1 3 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.665 -2.986 19300 350 1 3 . 1 1 13 13 GLN H H 13 8.394 8.394 7.389 1.005 19300 351 1 3 . 1 1 14 14 THR N N 14 115.982 115.982 113.246 2.736 19300 352 1 3 . 1 1 14 14 THR HA H 14 4.359 4.359 4.619 -0.260 19300 353 1 3 . 1 1 14 14 THR CA C 14 61.622 61.622 61.075 0.547 19300 354 1 3 . 1 1 14 14 THR CB C 14 70.762 70.762 71.791 -1.029 19300 355 1 3 . 1 1 14 14 THR H H 14 8.310 8.310 8.294 0.016 19300 356 1 3 . 1 1 15 15 CYS N N 15 123.244 123.244 120.090 3.154 19300 357 1 3 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.878 0.180 19300 358 1 3 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.384 -3.509 19300 359 1 3 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.444 12.769 19300 360 1 3 . 1 1 15 15 CYS H H 15 8.996 8.996 8.486 0.510 19300 361 1 3 . 1 1 16 16 CYS N N 16 121.708 121.708 122.774 -1.066 19300 362 1 3 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.346 0.208 19300 363 1 3 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.991 -6.181 19300 364 1 3 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.047 11.620 19300 365 1 3 . 1 1 16 16 CYS H H 16 9.380 9.380 8.949 0.431 19300 366 1 3 . 1 1 17 17 LYS N N 17 117.934 117.934 121.516 -3.582 19300 367 1 3 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.134 -0.153 19300 368 1 3 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.855 0.479 19300 369 1 3 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.114 -0.599 19300 370 1 3 . 1 1 17 17 LYS H H 17 7.931 7.931 8.706 -0.775 19300 371 1 3 . 1 1 18 18 HIS N N 18 112.381 112.381 114.675 -2.294 19300 372 1 3 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.378 0.002 19300 373 1 3 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.461 -3.012 19300 374 1 3 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.431 -2.596 19300 375 1 3 . 1 1 18 18 HIS H H 18 8.601 8.601 8.839 -0.238 19300 376 1 3 . 1 1 19 19 LEU N N 19 119.252 119.252 116.763 2.489 19300 377 1 3 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.461 -0.162 19300 378 1 3 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.607 0.416 19300 379 1 3 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.842 -1.487 19300 380 1 3 . 1 1 19 19 LEU H H 19 8.094 8.094 7.436 0.657 19300 381 1 3 . 1 1 20 20 VAL N N 20 116.729 116.729 113.089 3.640 19300 382 1 3 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.491 0.017 19300 383 1 3 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.808 -0.547 19300 384 1 3 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.746 0.157 19300 385 1 3 . 1 1 20 20 VAL H H 20 9.548 9.548 8.733 0.815 19300 386 1 3 . 1 1 21 21 CYS N N 21 123.437 123.437 126.189 -2.752 19300 387 1 3 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.463 0.140 19300 388 1 3 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.553 -3.152 19300 389 1 3 . 1 1 21 21 CYS CB C 21 39.360 39.360 24.943 14.417 19300 390 1 3 . 1 1 21 21 CYS H H 21 8.936 8.936 8.935 0.001 19300 391 1 3 . 1 1 22 22 SER N N 22 124.898 124.898 122.906 1.992 19300 392 1 3 . 1 1 22 22 SER HA H 22 4.458 4.458 4.425 0.033 19300 393 1 3 . 1 1 22 22 SER CA C 22 57.364 57.364 57.802 -0.438 19300 394 1 3 . 1 1 22 22 SER CB C 22 63.430 63.430 63.254 0.176 19300 395 1 3 . 1 1 22 22 SER H H 22 8.349 8.349 8.150 0.199 19300 396 1 3 . 1 1 23 23 ARG N N 23 132.391 132.391 127.875 4.516 19300 397 1 3 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.095 -0.093 19300 398 1 3 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.479 0.052 19300 399 1 3 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.060 -0.459 19300 400 1 3 . 1 1 23 23 ARG H H 23 9.009 9.009 8.448 0.561 19300 401 1 3 . 1 1 24 24 ARG N N 24 117.241 117.241 116.915 0.326 19300 402 1 3 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.193 -0.269 19300 403 1 3 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.613 0.135 19300 404 1 3 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.153 0.253 19300 405 1 3 . 1 1 24 24 ARG H H 24 7.945 7.945 8.016 -0.071 19300 406 1 3 . 1 1 25 25 HIS N N 25 111.143 111.143 115.163 -4.020 19300 407 1 3 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.079 0.150 19300 408 1 3 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.582 -1.631 19300 409 1 3 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.072 -2.093 19300 410 1 3 . 1 1 25 25 HIS H H 25 7.326 7.326 7.432 -0.106 19300 411 1 3 . 1 1 26 26 GLY N N 26 106.585 106.585 106.395 0.190 19300 412 1 3 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.919 1.673 19300 413 1 3 . 1 1 26 26 GLY H H 26 8.257 8.257 8.266 -0.009 19300 414 1 3 . 1 1 27 27 TRP N N 27 114.076 114.076 117.025 -2.949 19300 415 1 3 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.031 0.554 19300 416 1 3 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.694 0.104 19300 417 1 3 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.724 1.093 19300 418 1 3 . 1 1 27 27 TRP H H 27 6.816 6.816 7.087 -0.271 19300 419 1 3 . 1 1 28 28 CYS N N 28 120.417 120.417 121.877 -1.460 19300 420 1 3 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.011 0.017 19300 421 1 3 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.830 -3.683 19300 422 1 3 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.537 16.049 19300 423 1 3 . 1 1 28 28 CYS H H 28 8.856 8.856 9.112 -0.256 19300 424 1 3 . 1 1 29 29 VAL N N 29 117.638 117.638 118.231 -0.593 19300 425 1 3 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.867 0.061 19300 426 1 3 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.381 -0.034 19300 427 1 3 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.844 0.683 19300 428 1 3 . 1 1 29 29 VAL H H 29 9.648 9.648 9.145 0.503 19300 429 1 3 . 1 1 30 30 TRP N N 30 120.857 120.857 121.637 -0.780 19300 430 1 3 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.666 0.228 19300 431 1 3 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.978 1.215 19300 432 1 3 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.822 0.058 19300 433 1 3 . 1 1 30 30 TRP H H 30 7.875 7.875 8.800 -0.925 19300 434 1 3 . 1 1 31 31 ASP N N 31 122.575 122.575 124.249 -1.674 19300 435 1 3 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.705 -0.181 19300 436 1 3 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.361 -0.206 19300 437 1 3 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.314 -0.782 19300 438 1 3 . 1 1 31 31 ASP H H 31 8.813 8.813 8.451 0.362 19300 439 1 3 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.962 -0.230 19300 440 1 3 . 1 1 32 32 GLY H H 32 8.070 8.070 9.200 -1.130 19300 441 1 3 . 1 1 33 33 THR N N 33 113.474 113.474 116.288 -2.814 19300 442 1 3 . 1 1 33 33 THR HA H 33 4.311 4.311 4.555 -0.244 19300 443 1 3 . 1 1 33 33 THR CA C 33 62.204 62.204 61.396 0.808 19300 444 1 3 . 1 1 33 33 THR CB C 33 70.173 70.173 69.849 0.324 19300 445 1 3 . 1 1 33 33 THR H H 33 8.040 8.040 7.964 0.076 19300 446 1 3 . 1 1 34 34 PHE N N 34 121.941 121.941 123.190 -1.249 19300 447 1 3 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.596 -0.026 19300 448 1 3 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.818 0.084 19300 449 1 3 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.196 0.478 19300 450 1 3 . 1 1 34 34 PHE H H 34 8.282 8.282 8.225 0.057 19300 451 1 4 . 1 1 2 2 CYS N N 2 120.737 120.737 119.033 1.704 19300 452 1 4 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.631 0.193 19300 453 1 4 . 1 1 2 2 CYS H H 2 8.701 8.701 8.364 0.337 19300 454 1 4 . 1 1 3 3 ARG N N 3 120.701 120.701 122.617 -1.916 19300 455 1 4 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.727 -0.349 19300 456 1 4 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.193 2.961 19300 457 1 4 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.312 -0.587 19300 458 1 4 . 1 1 3 3 ARG H H 3 8.970 8.970 8.308 0.662 19300 459 1 4 . 1 1 4 4 TYR N N 4 122.006 122.006 119.739 2.267 19300 460 1 4 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.668 -0.378 19300 461 1 4 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.275 1.061 19300 462 1 4 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.062 0.035 19300 463 1 4 . 1 1 4 4 TYR H H 4 8.190 8.190 7.996 0.194 19300 464 1 4 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.192 -0.578 19300 465 1 4 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.328 1.157 19300 466 1 4 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.974 -0.314 19300 467 1 4 . 1 1 6 6 LEU N N 6 121.148 121.148 120.796 0.352 19300 468 1 4 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.039 -0.079 19300 469 1 4 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.745 2.274 19300 470 1 4 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.082 -0.831 19300 471 1 4 . 1 1 6 6 LEU H H 6 8.701 8.701 8.586 0.115 19300 472 1 4 . 1 1 7 7 GLY N N 7 110.200 110.200 106.987 3.213 19300 473 1 4 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.219 -0.409 19300 474 1 4 . 1 1 7 7 GLY H H 7 8.947 8.947 7.942 1.005 19300 475 1 4 . 1 1 8 8 GLY N N 8 110.973 110.973 107.146 3.827 19300 476 1 4 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.457 2.145 19300 477 1 4 . 1 1 8 8 GLY H H 8 8.699 8.699 8.120 0.579 19300 478 1 4 . 1 1 9 9 CYS N N 9 117.019 117.019 118.526 -1.507 19300 479 1 4 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.667 0.545 19300 480 1 4 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.870 -1.690 19300 481 1 4 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.750 16.169 19300 482 1 4 . 1 1 9 9 CYS H H 9 8.407 8.407 8.160 0.247 19300 483 1 4 . 1 1 10 10 SER N N 10 116.524 116.524 115.031 1.493 19300 484 1 4 . 1 1 10 10 SER HA H 10 4.384 4.384 4.437 -0.053 19300 485 1 4 . 1 1 10 10 SER CA C 10 59.172 59.172 58.438 0.734 19300 486 1 4 . 1 1 10 10 SER CB C 10 63.793 63.793 64.515 -0.722 19300 487 1 4 . 1 1 10 10 SER H H 10 8.180 8.180 8.138 0.042 19300 488 1 4 . 1 1 11 11 ALA N N 11 124.635 124.635 123.424 1.211 19300 489 1 4 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.291 0.168 19300 490 1 4 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.911 -1.246 19300 491 1 4 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.605 -0.419 19300 492 1 4 . 1 1 11 11 ALA H H 11 8.648 8.648 8.448 0.200 19300 493 1 4 . 1 1 12 12 GLY N N 12 106.219 106.219 105.250 0.969 19300 494 1 4 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.021 0.310 19300 495 1 4 . 1 1 12 12 GLY H H 12 8.060 8.060 8.134 -0.074 19300 496 1 4 . 1 1 13 13 GLN N N 13 121.578 121.578 119.868 1.710 19300 497 1 4 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.661 -0.350 19300 498 1 4 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.213 0.941 19300 499 1 4 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.276 -2.597 19300 500 1 4 . 1 1 13 13 GLN H H 13 8.394 8.394 7.352 1.042 19300 501 1 4 . 1 1 14 14 THR N N 14 115.982 115.982 113.386 2.596 19300 502 1 4 . 1 1 14 14 THR HA H 14 4.359 4.359 4.652 -0.293 19300 503 1 4 . 1 1 14 14 THR CA C 14 61.622 61.622 61.124 0.498 19300 504 1 4 . 1 1 14 14 THR CB C 14 70.762 70.762 71.636 -0.874 19300 505 1 4 . 1 1 14 14 THR H H 14 8.310 8.310 8.293 0.017 19300 506 1 4 . 1 1 15 15 CYS N N 15 123.244 123.244 119.905 3.339 19300 507 1 4 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.860 0.198 19300 508 1 4 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.626 -3.751 19300 509 1 4 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.039 12.174 19300 510 1 4 . 1 1 15 15 CYS H H 15 8.996 8.996 8.486 0.510 19300 511 1 4 . 1 1 16 16 CYS N N 16 121.708 121.708 122.799 -1.091 19300 512 1 4 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.345 0.209 19300 513 1 4 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.001 -6.191 19300 514 1 4 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.058 11.610 19300 515 1 4 . 1 1 16 16 CYS H H 16 9.380 9.380 8.946 0.434 19300 516 1 4 . 1 1 17 17 LYS N N 17 117.934 117.934 121.578 -3.644 19300 517 1 4 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.139 -0.158 19300 518 1 4 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.869 0.465 19300 519 1 4 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.123 -0.608 19300 520 1 4 . 1 1 17 17 LYS H H 17 7.931 7.931 8.710 -0.779 19300 521 1 4 . 1 1 18 18 HIS N N 18 112.381 112.381 114.560 -2.179 19300 522 1 4 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.398 -0.018 19300 523 1 4 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.457 -3.008 19300 524 1 4 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.561 -2.725 19300 525 1 4 . 1 1 18 18 HIS H H 18 8.601 8.601 8.848 -0.247 19300 526 1 4 . 1 1 19 19 LEU N N 19 119.252 119.252 116.694 2.558 19300 527 1 4 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.491 -0.192 19300 528 1 4 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.609 0.414 19300 529 1 4 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.015 -1.660 19300 530 1 4 . 1 1 19 19 LEU H H 19 8.094 8.094 7.456 0.638 19300 531 1 4 . 1 1 20 20 VAL N N 20 116.729 116.729 112.512 4.217 19300 532 1 4 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.539 -0.031 19300 533 1 4 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.452 -0.191 19300 534 1 4 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.836 0.067 19300 535 1 4 . 1 1 20 20 VAL H H 20 9.548 9.548 8.788 0.760 19300 536 1 4 . 1 1 21 21 CYS N N 21 123.437 123.437 125.871 -2.434 19300 537 1 4 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.469 0.134 19300 538 1 4 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.452 -3.051 19300 539 1 4 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.191 14.169 19300 540 1 4 . 1 1 21 21 CYS H H 21 8.936 8.936 8.823 0.113 19300 541 1 4 . 1 1 22 22 SER N N 22 124.898 124.898 122.978 1.920 19300 542 1 4 . 1 1 22 22 SER HA H 22 4.458 4.458 4.390 0.068 19300 543 1 4 . 1 1 22 22 SER CA C 22 57.364 57.364 57.856 -0.492 19300 544 1 4 . 1 1 22 22 SER CB C 22 63.430 63.430 63.039 0.391 19300 545 1 4 . 1 1 22 22 SER H H 22 8.349 8.349 8.093 0.256 19300 546 1 4 . 1 1 23 23 ARG N N 23 132.391 132.391 127.321 5.070 19300 547 1 4 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.086 -0.084 19300 548 1 4 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.395 0.136 19300 549 1 4 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.977 -0.376 19300 550 1 4 . 1 1 23 23 ARG H H 23 9.009 9.009 8.349 0.660 19300 551 1 4 . 1 1 24 24 ARG N N 24 117.241 117.241 117.062 0.179 19300 552 1 4 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.202 -0.278 19300 553 1 4 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.464 0.284 19300 554 1 4 . 1 1 24 24 ARG CB C 24 30.406 30.406 29.954 0.452 19300 555 1 4 . 1 1 24 24 ARG H H 24 7.945 7.945 8.013 -0.068 19300 556 1 4 . 1 1 25 25 HIS N N 25 111.143 111.143 115.135 -3.992 19300 557 1 4 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.067 0.162 19300 558 1 4 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.553 -1.602 19300 559 1 4 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.057 -2.078 19300 560 1 4 . 1 1 25 25 HIS H H 25 7.326 7.326 7.421 -0.095 19300 561 1 4 . 1 1 26 26 GLY N N 26 106.585 106.585 106.327 0.258 19300 562 1 4 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.905 1.687 19300 563 1 4 . 1 1 26 26 GLY H H 26 8.257 8.257 8.225 0.032 19300 564 1 4 . 1 1 27 27 TRP N N 27 114.076 114.076 117.024 -2.948 19300 565 1 4 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.029 0.556 19300 566 1 4 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.672 0.126 19300 567 1 4 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.725 1.091 19300 568 1 4 . 1 1 27 27 TRP H H 27 6.816 6.816 7.080 -0.264 19300 569 1 4 . 1 1 28 28 CYS N N 28 120.417 120.417 121.904 -1.487 19300 570 1 4 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.009 0.019 19300 571 1 4 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.852 -3.705 19300 572 1 4 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.544 16.042 19300 573 1 4 . 1 1 28 28 CYS H H 28 8.856 8.856 9.113 -0.257 19300 574 1 4 . 1 1 29 29 VAL N N 29 117.638 117.638 117.525 0.113 19300 575 1 4 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.920 0.008 19300 576 1 4 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.548 -0.201 19300 577 1 4 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.996 0.531 19300 578 1 4 . 1 1 29 29 VAL H H 29 9.648 9.648 8.964 0.684 19300 579 1 4 . 1 1 30 30 TRP N N 30 120.857 120.857 121.487 -0.630 19300 580 1 4 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.681 0.213 19300 581 1 4 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.791 1.402 19300 582 1 4 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.552 0.328 19300 583 1 4 . 1 1 30 30 TRP H H 30 7.875 7.875 8.800 -0.925 19300 584 1 4 . 1 1 31 31 ASP N N 31 122.575 122.575 125.069 -2.494 19300 585 1 4 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.699 -0.175 19300 586 1 4 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.379 -1.224 19300 587 1 4 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.130 -0.598 19300 588 1 4 . 1 1 31 31 ASP H H 31 8.813 8.813 8.391 0.422 19300 589 1 4 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.980 -0.248 19300 590 1 4 . 1 1 32 32 GLY H H 32 8.070 8.070 9.050 -0.980 19300 591 1 4 . 1 1 33 33 THR N N 33 113.474 113.474 115.365 -1.891 19300 592 1 4 . 1 1 33 33 THR HA H 33 4.311 4.311 4.434 -0.123 19300 593 1 4 . 1 1 33 33 THR CA C 33 62.204 62.204 61.916 0.288 19300 594 1 4 . 1 1 33 33 THR CB C 33 70.173 70.173 69.916 0.257 19300 595 1 4 . 1 1 33 33 THR H H 33 8.040 8.040 7.891 0.149 19300 596 1 4 . 1 1 34 34 PHE N N 34 121.941 121.941 123.074 -1.133 19300 597 1 4 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.625 -0.055 19300 598 1 4 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.631 0.271 19300 599 1 4 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.249 0.425 19300 600 1 4 . 1 1 34 34 PHE H H 34 8.282 8.282 8.372 -0.090 19300 601 1 5 . 1 1 2 2 CYS N N 2 120.737 120.737 118.522 2.215 19300 602 1 5 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.572 0.252 19300 603 1 5 . 1 1 2 2 CYS H H 2 8.701 8.701 8.240 0.461 19300 604 1 5 . 1 1 3 3 ARG N N 3 120.701 120.701 122.568 -1.867 19300 605 1 5 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300 606 1 5 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.186 2.968 19300 607 1 5 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.332 -0.607 19300 608 1 5 . 1 1 3 3 ARG H H 3 8.970 8.970 8.308 0.662 19300 609 1 5 . 1 1 4 4 TYR N N 4 122.006 122.006 119.767 2.239 19300 610 1 5 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.680 -0.390 19300 611 1 5 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.310 1.026 19300 612 1 5 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.060 0.037 19300 613 1 5 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300 614 1 5 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300 615 1 5 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.323 1.163 19300 616 1 5 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.964 -0.304 19300 617 1 5 . 1 1 6 6 LEU N N 6 121.148 121.148 120.756 0.392 19300 618 1 5 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.044 -0.084 19300 619 1 5 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.744 2.275 19300 620 1 5 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.054 -0.804 19300 621 1 5 . 1 1 6 6 LEU H H 6 8.701 8.701 8.594 0.107 19300 622 1 5 . 1 1 7 7 GLY N N 7 110.200 110.200 106.586 3.614 19300 623 1 5 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.339 -0.529 19300 624 1 5 . 1 1 7 7 GLY H H 7 8.947 8.947 8.022 0.925 19300 625 1 5 . 1 1 8 8 GLY N N 8 110.973 110.973 105.985 4.988 19300 626 1 5 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.360 2.242 19300 627 1 5 . 1 1 8 8 GLY H H 8 8.699 8.699 7.824 0.875 19300 628 1 5 . 1 1 9 9 CYS N N 9 117.019 117.019 118.118 -1.099 19300 629 1 5 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.624 0.588 19300 630 1 5 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.318 -2.138 19300 631 1 5 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.901 15.018 19300 632 1 5 . 1 1 9 9 CYS H H 9 8.407 8.407 8.132 0.275 19300 633 1 5 . 1 1 10 10 SER N N 10 116.524 116.524 115.053 1.471 19300 634 1 5 . 1 1 10 10 SER HA H 10 4.384 4.384 4.443 -0.059 19300 635 1 5 . 1 1 10 10 SER CA C 10 59.172 59.172 58.188 0.984 19300 636 1 5 . 1 1 10 10 SER CB C 10 63.793 63.793 64.511 -0.718 19300 637 1 5 . 1 1 10 10 SER H H 10 8.180 8.180 8.181 -0.001 19300 638 1 5 . 1 1 11 11 ALA N N 11 124.635 124.635 123.489 1.146 19300 639 1 5 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.296 0.163 19300 640 1 5 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.906 -1.241 19300 641 1 5 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.644 -0.458 19300 642 1 5 . 1 1 11 11 ALA H H 11 8.648 8.648 8.477 0.171 19300 643 1 5 . 1 1 12 12 GLY N N 12 106.219 106.219 104.893 1.326 19300 644 1 5 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.207 0.124 19300 645 1 5 . 1 1 12 12 GLY H H 12 8.060 8.060 8.420 -0.360 19300 646 1 5 . 1 1 13 13 GLN N N 13 121.578 121.578 119.795 1.783 19300 647 1 5 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.755 -0.444 19300 648 1 5 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.194 0.960 19300 649 1 5 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.583 -2.904 19300 650 1 5 . 1 1 13 13 GLN H H 13 8.394 8.394 7.404 0.990 19300 651 1 5 . 1 1 14 14 THR N N 14 115.982 115.982 113.421 2.561 19300 652 1 5 . 1 1 14 14 THR HA H 14 4.359 4.359 4.627 -0.268 19300 653 1 5 . 1 1 14 14 THR CA C 14 61.622 61.622 61.114 0.508 19300 654 1 5 . 1 1 14 14 THR CB C 14 70.762 70.762 71.726 -0.964 19300 655 1 5 . 1 1 14 14 THR H H 14 8.310 8.310 8.332 -0.022 19300 656 1 5 . 1 1 15 15 CYS N N 15 123.244 123.244 119.849 3.395 19300 657 1 5 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.850 0.208 19300 658 1 5 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.528 -3.653 19300 659 1 5 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.054 12.159 19300 660 1 5 . 1 1 15 15 CYS H H 15 8.996 8.996 8.535 0.461 19300 661 1 5 . 1 1 16 16 CYS N N 16 121.708 121.708 122.810 -1.102 19300 662 1 5 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.365 0.189 19300 663 1 5 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.637 -5.827 19300 664 1 5 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.086 11.582 19300 665 1 5 . 1 1 16 16 CYS H H 16 9.380 9.380 8.935 0.445 19300 666 1 5 . 1 1 17 17 LYS N N 17 117.934 117.934 121.639 -3.705 19300 667 1 5 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.127 -0.146 19300 668 1 5 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.903 0.431 19300 669 1 5 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.161 -0.646 19300 670 1 5 . 1 1 17 17 LYS H H 17 7.931 7.931 8.703 -0.772 19300 671 1 5 . 1 1 18 18 HIS N N 18 112.381 112.381 114.548 -2.167 19300 672 1 5 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.381 -0.001 19300 673 1 5 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.366 -2.917 19300 674 1 5 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.553 -2.718 19300 675 1 5 . 1 1 18 18 HIS H H 18 8.601 8.601 8.845 -0.244 19300 676 1 5 . 1 1 19 19 LEU N N 19 119.252 119.252 117.028 2.224 19300 677 1 5 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.497 -0.198 19300 678 1 5 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.556 0.467 19300 679 1 5 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.840 -1.485 19300 680 1 5 . 1 1 19 19 LEU H H 19 8.094 8.094 7.479 0.615 19300 681 1 5 . 1 1 20 20 VAL N N 20 116.729 116.729 113.480 3.249 19300 682 1 5 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.475 0.033 19300 683 1 5 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.282 -0.021 19300 684 1 5 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.438 0.465 19300 685 1 5 . 1 1 20 20 VAL H H 20 9.548 9.548 8.717 0.831 19300 686 1 5 . 1 1 21 21 CYS N N 21 123.437 123.437 125.847 -2.410 19300 687 1 5 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.443 0.160 19300 688 1 5 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.648 -3.247 19300 689 1 5 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.130 14.230 19300 690 1 5 . 1 1 21 21 CYS H H 21 8.936 8.936 8.848 0.088 19300 691 1 5 . 1 1 22 22 SER N N 22 124.898 124.898 122.802 2.096 19300 692 1 5 . 1 1 22 22 SER HA H 22 4.458 4.458 4.430 0.028 19300 693 1 5 . 1 1 22 22 SER CA C 22 57.364 57.364 57.881 -0.517 19300 694 1 5 . 1 1 22 22 SER CB C 22 63.430 63.430 63.336 0.094 19300 695 1 5 . 1 1 22 22 SER H H 22 8.349 8.349 8.100 0.249 19300 696 1 5 . 1 1 23 23 ARG N N 23 132.391 132.391 127.707 4.684 19300 697 1 5 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.083 -0.081 19300 698 1 5 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.764 -0.233 19300 699 1 5 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.006 -0.405 19300 700 1 5 . 1 1 23 23 ARG H H 23 9.009 9.009 8.255 0.754 19300 701 1 5 . 1 1 24 24 ARG N N 24 117.241 117.241 117.639 -0.398 19300 702 1 5 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.160 -0.236 19300 703 1 5 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.582 0.166 19300 704 1 5 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.365 0.041 19300 705 1 5 . 1 1 24 24 ARG H H 24 7.945 7.945 8.018 -0.073 19300 706 1 5 . 1 1 25 25 HIS N N 25 111.143 111.143 115.617 -4.474 19300 707 1 5 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.930 0.299 19300 708 1 5 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.191 -2.240 19300 709 1 5 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.856 -1.877 19300 710 1 5 . 1 1 25 25 HIS H H 25 7.326 7.326 7.528 -0.202 19300 711 1 5 . 1 1 26 26 GLY N N 26 106.585 106.585 105.948 0.637 19300 712 1 5 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.876 1.716 19300 713 1 5 . 1 1 26 26 GLY H H 26 8.257 8.257 8.252 0.005 19300 714 1 5 . 1 1 27 27 TRP N N 27 114.076 114.076 117.042 -2.966 19300 715 1 5 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300 716 1 5 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.686 0.112 19300 717 1 5 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.739 1.077 19300 718 1 5 . 1 1 27 27 TRP H H 27 6.816 6.816 7.060 -0.244 19300 719 1 5 . 1 1 28 28 CYS N N 28 120.417 120.417 121.540 -1.123 19300 720 1 5 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.936 0.092 19300 721 1 5 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.053 -3.906 19300 722 1 5 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.404 16.182 19300 723 1 5 . 1 1 28 28 CYS H H 28 8.856 8.856 9.132 -0.276 19300 724 1 5 . 1 1 29 29 VAL N N 29 117.638 117.638 118.498 -0.860 19300 725 1 5 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.866 0.062 19300 726 1 5 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.068 0.279 19300 727 1 5 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.796 0.731 19300 728 1 5 . 1 1 29 29 VAL H H 29 9.648 9.648 9.024 0.624 19300 729 1 5 . 1 1 30 30 TRP N N 30 120.857 120.857 121.774 -0.917 19300 730 1 5 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.674 0.220 19300 731 1 5 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.292 0.901 19300 732 1 5 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.698 0.182 19300 733 1 5 . 1 1 30 30 TRP H H 30 7.875 7.875 8.750 -0.875 19300 734 1 5 . 1 1 31 31 ASP N N 31 122.575 122.575 124.055 -1.480 19300 735 1 5 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.689 -0.165 19300 736 1 5 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.485 -0.330 19300 737 1 5 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.401 -0.869 19300 738 1 5 . 1 1 31 31 ASP H H 31 8.813 8.813 8.388 0.425 19300 739 1 5 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.974 -0.242 19300 740 1 5 . 1 1 32 32 GLY H H 32 8.070 8.070 9.238 -1.168 19300 741 1 5 . 1 1 33 33 THR N N 33 113.474 113.474 116.210 -2.736 19300 742 1 5 . 1 1 33 33 THR HA H 33 4.311 4.311 4.501 -0.190 19300 743 1 5 . 1 1 33 33 THR CA C 33 62.204 62.204 61.488 0.716 19300 744 1 5 . 1 1 33 33 THR CB C 33 70.173 70.173 69.861 0.312 19300 745 1 5 . 1 1 33 33 THR H H 33 8.040 8.040 7.937 0.103 19300 746 1 5 . 1 1 34 34 PHE N N 34 121.941 121.941 121.692 0.249 19300 747 1 5 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.609 -0.039 19300 748 1 5 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.906 -0.003 19300 749 1 5 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.417 0.257 19300 750 1 5 . 1 1 34 34 PHE H H 34 8.282 8.282 8.360 -0.078 19300 751 1 6 . 1 1 2 2 CYS N N 2 120.737 120.737 118.628 2.109 19300 752 1 6 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.591 0.233 19300 753 1 6 . 1 1 2 2 CYS H H 2 8.701 8.701 8.274 0.427 19300 754 1 6 . 1 1 3 3 ARG N N 3 120.701 120.701 122.627 -1.926 19300 755 1 6 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300 756 1 6 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.194 2.960 19300 757 1 6 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.294 -0.569 19300 758 1 6 . 1 1 3 3 ARG H H 3 8.970 8.970 8.307 0.662 19300 759 1 6 . 1 1 4 4 TYR N N 4 122.006 122.006 119.769 2.237 19300 760 1 6 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.676 -0.386 19300 761 1 6 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.297 1.039 19300 762 1 6 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.061 0.036 19300 763 1 6 . 1 1 4 4 TYR H H 4 8.190 8.190 8.003 0.187 19300 764 1 6 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.189 -0.575 19300 765 1 6 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.328 1.158 19300 766 1 6 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.975 -0.315 19300 767 1 6 . 1 1 6 6 LEU N N 6 121.148 121.148 120.770 0.378 19300 768 1 6 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.045 -0.085 19300 769 1 6 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.744 2.275 19300 770 1 6 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.061 -0.810 19300 771 1 6 . 1 1 6 6 LEU H H 6 8.701 8.701 8.592 0.109 19300 772 1 6 . 1 1 7 7 GLY N N 7 110.200 110.200 107.008 3.192 19300 773 1 6 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.264 -0.454 19300 774 1 6 . 1 1 7 7 GLY H H 7 8.947 8.947 7.938 1.009 19300 775 1 6 . 1 1 8 8 GLY N N 8 110.973 110.973 107.355 3.618 19300 776 1 6 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.465 2.137 19300 777 1 6 . 1 1 8 8 GLY H H 8 8.699 8.699 8.033 0.666 19300 778 1 6 . 1 1 9 9 CYS N N 9 117.019 117.019 118.070 -1.051 19300 779 1 6 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.652 0.560 19300 780 1 6 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.555 -1.375 19300 781 1 6 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.024 15.895 19300 782 1 6 . 1 1 9 9 CYS H H 9 8.407 8.407 8.135 0.272 19300 783 1 6 . 1 1 10 10 SER N N 10 116.524 116.524 115.211 1.313 19300 784 1 6 . 1 1 10 10 SER HA H 10 4.384 4.384 4.454 -0.070 19300 785 1 6 . 1 1 10 10 SER CA C 10 59.172 59.172 58.106 1.066 19300 786 1 6 . 1 1 10 10 SER CB C 10 63.793 63.793 64.470 -0.677 19300 787 1 6 . 1 1 10 10 SER H H 10 8.180 8.180 8.107 0.073 19300 788 1 6 . 1 1 11 11 ALA N N 11 124.635 124.635 123.310 1.325 19300 789 1 6 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.293 0.166 19300 790 1 6 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.006 -1.341 19300 791 1 6 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.621 -0.435 19300 792 1 6 . 1 1 11 11 ALA H H 11 8.648 8.648 8.427 0.221 19300 793 1 6 . 1 1 12 12 GLY N N 12 106.219 106.219 105.430 0.789 19300 794 1 6 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.015 0.316 19300 795 1 6 . 1 1 12 12 GLY H H 12 8.060 8.060 8.120 -0.060 19300 796 1 6 . 1 1 13 13 GLN N N 13 121.578 121.578 119.726 1.852 19300 797 1 6 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.653 -0.342 19300 798 1 6 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.019 1.135 19300 799 1 6 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.292 -2.613 19300 800 1 6 . 1 1 13 13 GLN H H 13 8.394 8.394 7.362 1.032 19300 801 1 6 . 1 1 14 14 THR N N 14 115.982 115.982 113.408 2.574 19300 802 1 6 . 1 1 14 14 THR HA H 14 4.359 4.359 4.626 -0.267 19300 803 1 6 . 1 1 14 14 THR CA C 14 61.622 61.622 61.123 0.499 19300 804 1 6 . 1 1 14 14 THR CB C 14 70.762 70.762 71.722 -0.959 19300 805 1 6 . 1 1 14 14 THR H H 14 8.310 8.310 8.329 -0.019 19300 806 1 6 . 1 1 15 15 CYS N N 15 123.244 123.244 119.864 3.380 19300 807 1 6 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.852 0.206 19300 808 1 6 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.533 -3.658 19300 809 1 6 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.054 12.159 19300 810 1 6 . 1 1 15 15 CYS H H 15 8.996 8.996 8.537 0.459 19300 811 1 6 . 1 1 16 16 CYS N N 16 121.708 121.708 122.766 -1.058 19300 812 1 6 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.346 0.208 19300 813 1 6 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.037 -6.227 19300 814 1 6 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.049 11.619 19300 815 1 6 . 1 1 16 16 CYS H H 16 9.380 9.380 8.952 0.428 19300 816 1 6 . 1 1 17 17 LYS N N 17 117.934 117.934 121.502 -3.568 19300 817 1 6 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.148 -0.167 19300 818 1 6 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.829 0.505 19300 819 1 6 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.106 -0.591 19300 820 1 6 . 1 1 17 17 LYS H H 17 7.931 7.931 8.710 -0.779 19300 821 1 6 . 1 1 18 18 HIS N N 18 112.381 112.381 114.598 -2.217 19300 822 1 6 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.389 -0.009 19300 823 1 6 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.428 -2.979 19300 824 1 6 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.438 -2.603 19300 825 1 6 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300 826 1 6 . 1 1 19 19 LEU N N 19 119.252 119.252 116.702 2.550 19300 827 1 6 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.492 -0.193 19300 828 1 6 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.624 0.399 19300 829 1 6 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.067 -1.712 19300 830 1 6 . 1 1 19 19 LEU H H 19 8.094 8.094 7.460 0.634 19300 831 1 6 . 1 1 20 20 VAL N N 20 116.729 116.729 112.339 4.390 19300 832 1 6 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.523 -0.015 19300 833 1 6 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.477 -0.216 19300 834 1 6 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.782 0.121 19300 835 1 6 . 1 1 20 20 VAL H H 20 9.548 9.548 8.726 0.822 19300 836 1 6 . 1 1 21 21 CYS N N 21 123.437 123.437 125.556 -2.119 19300 837 1 6 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.481 0.122 19300 838 1 6 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.493 -3.092 19300 839 1 6 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.217 14.143 19300 840 1 6 . 1 1 21 21 CYS H H 21 8.936 8.936 8.859 0.077 19300 841 1 6 . 1 1 22 22 SER N N 22 124.898 124.898 122.912 1.986 19300 842 1 6 . 1 1 22 22 SER HA H 22 4.458 4.458 4.369 0.089 19300 843 1 6 . 1 1 22 22 SER CA C 22 57.364 57.364 57.568 -0.204 19300 844 1 6 . 1 1 22 22 SER CB C 22 63.430 63.430 63.090 0.340 19300 845 1 6 . 1 1 22 22 SER H H 22 8.349 8.349 8.104 0.245 19300 846 1 6 . 1 1 23 23 ARG N N 23 132.391 132.391 127.507 4.884 19300 847 1 6 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.052 -0.050 19300 848 1 6 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.669 -0.138 19300 849 1 6 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.009 -0.408 19300 850 1 6 . 1 1 23 23 ARG H H 23 9.009 9.009 8.205 0.804 19300 851 1 6 . 1 1 24 24 ARG N N 24 117.241 117.241 117.572 -0.331 19300 852 1 6 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.190 -0.266 19300 853 1 6 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.380 0.368 19300 854 1 6 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.277 0.129 19300 855 1 6 . 1 1 24 24 ARG H H 24 7.945 7.945 8.006 -0.061 19300 856 1 6 . 1 1 25 25 HIS N N 25 111.143 111.143 115.629 -4.486 19300 857 1 6 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.930 0.299 19300 858 1 6 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.071 -2.120 19300 859 1 6 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.945 -1.966 19300 860 1 6 . 1 1 25 25 HIS H H 25 7.326 7.326 7.483 -0.157 19300 861 1 6 . 1 1 26 26 GLY N N 26 106.585 106.585 105.938 0.647 19300 862 1 6 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.870 1.722 19300 863 1 6 . 1 1 26 26 GLY H H 26 8.257 8.257 8.247 0.010 19300 864 1 6 . 1 1 27 27 TRP N N 27 114.076 114.076 117.030 -2.954 19300 865 1 6 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.025 0.560 19300 866 1 6 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.680 0.118 19300 867 1 6 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.735 1.081 19300 868 1 6 . 1 1 27 27 TRP H H 27 6.816 6.816 7.049 -0.233 19300 869 1 6 . 1 1 28 28 CYS N N 28 120.417 120.417 121.960 -1.543 19300 870 1 6 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.993 0.035 19300 871 1 6 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.503 -4.356 19300 872 1 6 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.223 16.363 19300 873 1 6 . 1 1 28 28 CYS H H 28 8.856 8.856 9.165 -0.309 19300 874 1 6 . 1 1 29 29 VAL N N 29 117.638 117.638 118.344 -0.706 19300 875 1 6 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.846 0.082 19300 876 1 6 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.936 0.411 19300 877 1 6 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.553 0.974 19300 878 1 6 . 1 1 29 29 VAL H H 29 9.648 9.648 8.940 0.708 19300 879 1 6 . 1 1 30 30 TRP N N 30 120.857 120.857 122.116 -1.259 19300 880 1 6 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.695 0.199 19300 881 1 6 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.742 1.451 19300 882 1 6 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.335 0.545 19300 883 1 6 . 1 1 30 30 TRP H H 30 7.875 7.875 8.690 -0.815 19300 884 1 6 . 1 1 31 31 ASP N N 31 122.575 122.575 125.192 -2.617 19300 885 1 6 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.712 -0.188 19300 886 1 6 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.483 -1.329 19300 887 1 6 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.149 -0.617 19300 888 1 6 . 1 1 31 31 ASP H H 31 8.813 8.813 8.361 0.452 19300 889 1 6 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.987 -0.255 19300 890 1 6 . 1 1 32 32 GLY H H 32 8.070 8.070 9.025 -0.955 19300 891 1 6 . 1 1 33 33 THR N N 33 113.474 113.474 115.440 -1.966 19300 892 1 6 . 1 1 33 33 THR HA H 33 4.311 4.311 4.484 -0.173 19300 893 1 6 . 1 1 33 33 THR CA C 33 62.204 62.204 61.874 0.330 19300 894 1 6 . 1 1 33 33 THR CB C 33 70.173 70.173 70.026 0.147 19300 895 1 6 . 1 1 33 33 THR H H 33 8.040 8.040 7.968 0.072 19300 896 1 6 . 1 1 34 34 PHE N N 34 121.941 121.941 121.961 -0.020 19300 897 1 6 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.523 0.047 19300 898 1 6 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.365 -0.463 19300 899 1 6 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.253 0.421 19300 900 1 6 . 1 1 34 34 PHE H H 34 8.282 8.282 8.320 -0.038 19300 901 1 7 . 1 1 2 2 CYS N N 2 120.737 120.737 118.895 1.842 19300 902 1 7 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.615 0.208 19300 903 1 7 . 1 1 2 2 CYS H H 2 8.701 8.701 8.279 0.422 19300 904 1 7 . 1 1 3 3 ARG N N 3 120.701 120.701 122.635 -1.934 19300 905 1 7 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300 906 1 7 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.202 2.952 19300 907 1 7 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.281 -0.556 19300 908 1 7 . 1 1 3 3 ARG H H 3 8.970 8.970 8.311 0.659 19300 909 1 7 . 1 1 4 4 TYR N N 4 122.006 122.006 119.791 2.215 19300 910 1 7 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.676 -0.386 19300 911 1 7 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.286 1.050 19300 912 1 7 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.068 0.029 19300 913 1 7 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300 914 1 7 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.219 -0.605 19300 915 1 7 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.330 1.156 19300 916 1 7 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.976 -0.316 19300 917 1 7 . 1 1 6 6 LEU N N 6 121.148 121.148 119.767 1.381 19300 918 1 7 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.082 -0.122 19300 919 1 7 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.959 2.060 19300 920 1 7 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.876 -0.625 19300 921 1 7 . 1 1 6 6 LEU H H 6 8.701 8.701 8.558 0.143 19300 922 1 7 . 1 1 7 7 GLY N N 7 110.200 110.200 105.140 5.060 19300 923 1 7 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.225 -0.415 19300 924 1 7 . 1 1 7 7 GLY H H 7 8.947 8.947 7.917 1.030 19300 925 1 7 . 1 1 8 8 GLY N N 8 110.973 110.973 106.530 4.443 19300 926 1 7 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.319 2.283 19300 927 1 7 . 1 1 8 8 GLY H H 8 8.699 8.699 8.029 0.670 19300 928 1 7 . 1 1 9 9 CYS N N 9 117.019 117.019 118.403 -1.384 19300 929 1 7 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.676 0.536 19300 930 1 7 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.066 -1.886 19300 931 1 7 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.721 16.198 19300 932 1 7 . 1 1 9 9 CYS H H 9 8.407 8.407 8.216 0.191 19300 933 1 7 . 1 1 10 10 SER N N 10 116.524 116.524 115.090 1.434 19300 934 1 7 . 1 1 10 10 SER HA H 10 4.384 4.384 4.449 -0.065 19300 935 1 7 . 1 1 10 10 SER CA C 10 59.172 59.172 58.387 0.785 19300 936 1 7 . 1 1 10 10 SER CB C 10 63.793 63.793 64.694 -0.901 19300 937 1 7 . 1 1 10 10 SER H H 10 8.180 8.180 8.182 -0.002 19300 938 1 7 . 1 1 11 11 ALA N N 11 124.635 124.635 123.346 1.289 19300 939 1 7 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.290 0.169 19300 940 1 7 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.954 -1.289 19300 941 1 7 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.654 -0.468 19300 942 1 7 . 1 1 11 11 ALA H H 11 8.648 8.648 8.473 0.175 19300 943 1 7 . 1 1 12 12 GLY N N 12 106.219 106.219 105.515 0.704 19300 944 1 7 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.006 0.325 19300 945 1 7 . 1 1 12 12 GLY H H 12 8.060 8.060 8.113 -0.053 19300 946 1 7 . 1 1 13 13 GLN N N 13 121.578 121.578 119.891 1.687 19300 947 1 7 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.608 -0.297 19300 948 1 7 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.101 1.053 19300 949 1 7 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.212 -2.533 19300 950 1 7 . 1 1 13 13 GLN H H 13 8.394 8.394 7.378 1.016 19300 951 1 7 . 1 1 14 14 THR N N 14 115.982 115.982 113.388 2.594 19300 952 1 7 . 1 1 14 14 THR HA H 14 4.359 4.359 4.659 -0.300 19300 953 1 7 . 1 1 14 14 THR CA C 14 61.622 61.622 61.137 0.485 19300 954 1 7 . 1 1 14 14 THR CB C 14 70.762 70.762 71.639 -0.877 19300 955 1 7 . 1 1 14 14 THR H H 14 8.310 8.310 8.294 0.016 19300 956 1 7 . 1 1 15 15 CYS N N 15 123.244 123.244 119.922 3.322 19300 957 1 7 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.872 0.186 19300 958 1 7 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.646 -3.771 19300 959 1 7 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.038 12.175 19300 960 1 7 . 1 1 15 15 CYS H H 15 8.996 8.996 8.503 0.493 19300 961 1 7 . 1 1 16 16 CYS N N 16 121.708 121.708 122.816 -1.108 19300 962 1 7 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.312 0.242 19300 963 1 7 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.023 -6.213 19300 964 1 7 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.046 11.622 19300 965 1 7 . 1 1 16 16 CYS H H 16 9.380 9.380 8.944 0.436 19300 966 1 7 . 1 1 17 17 LYS N N 17 117.934 117.934 121.568 -3.634 19300 967 1 7 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.020 -0.039 19300 968 1 7 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.706 0.627 19300 969 1 7 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.821 -0.306 19300 970 1 7 . 1 1 17 17 LYS H H 17 7.931 7.931 8.593 -0.662 19300 971 1 7 . 1 1 18 18 HIS N N 18 112.381 112.381 113.475 -1.094 19300 972 1 7 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.375 0.005 19300 973 1 7 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.168 -2.719 19300 974 1 7 . 1 1 18 18 HIS CB C 18 26.835 26.835 28.464 -1.629 19300 975 1 7 . 1 1 18 18 HIS H H 18 8.601 8.601 8.726 -0.125 19300 976 1 7 . 1 1 19 19 LEU N N 19 119.252 119.252 117.137 2.115 19300 977 1 7 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.604 -0.305 19300 978 1 7 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.711 0.312 19300 979 1 7 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.231 -1.876 19300 980 1 7 . 1 1 19 19 LEU H H 19 8.094 8.094 7.462 0.632 19300 981 1 7 . 1 1 20 20 VAL N N 20 116.729 116.729 112.821 3.908 19300 982 1 7 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.666 -0.158 19300 983 1 7 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.625 -0.364 19300 984 1 7 . 1 1 20 20 VAL CB C 20 35.903 35.903 36.186 -0.283 19300 985 1 7 . 1 1 20 20 VAL H H 20 9.548 9.548 9.018 0.530 19300 986 1 7 . 1 1 21 21 CYS N N 21 123.437 123.437 125.619 -2.182 19300 987 1 7 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.540 0.063 19300 988 1 7 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.562 -3.161 19300 989 1 7 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.226 14.134 19300 990 1 7 . 1 1 21 21 CYS H H 21 8.936 8.936 8.922 0.014 19300 991 1 7 . 1 1 22 22 SER N N 22 124.898 124.898 123.529 1.369 19300 992 1 7 . 1 1 22 22 SER HA H 22 4.458 4.458 4.366 0.092 19300 993 1 7 . 1 1 22 22 SER CA C 22 57.364 57.364 57.381 -0.017 19300 994 1 7 . 1 1 22 22 SER CB C 22 63.430 63.430 63.586 -0.156 19300 995 1 7 . 1 1 22 22 SER H H 22 8.349 8.349 8.135 0.214 19300 996 1 7 . 1 1 23 23 ARG N N 23 132.391 132.391 127.886 4.505 19300 997 1 7 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.097 -0.095 19300 998 1 7 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.389 0.142 19300 999 1 7 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.927 -0.326 19300 1000 1 7 . 1 1 23 23 ARG H H 23 9.009 9.009 8.307 0.702 19300 1001 1 7 . 1 1 24 24 ARG N N 24 117.241 117.241 117.381 -0.140 19300 1002 1 7 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.138 -0.214 19300 1003 1 7 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.609 0.139 19300 1004 1 7 . 1 1 24 24 ARG CB C 24 30.406 30.406 29.788 0.619 19300 1005 1 7 . 1 1 24 24 ARG H H 24 7.945 7.945 8.035 -0.090 19300 1006 1 7 . 1 1 25 25 HIS N N 25 111.143 111.143 114.981 -3.838 19300 1007 1 7 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.044 0.185 19300 1008 1 7 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.557 -1.607 19300 1009 1 7 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.032 -2.053 19300 1010 1 7 . 1 1 25 25 HIS H H 25 7.326 7.326 7.376 -0.050 19300 1011 1 7 . 1 1 26 26 GLY N N 26 106.585 106.585 106.287 0.298 19300 1012 1 7 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.904 1.688 19300 1013 1 7 . 1 1 26 26 GLY H H 26 8.257 8.257 8.199 0.058 19300 1014 1 7 . 1 1 27 27 TRP N N 27 114.076 114.076 117.027 -2.951 19300 1015 1 7 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.041 0.544 19300 1016 1 7 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.695 0.103 19300 1017 1 7 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.741 1.075 19300 1018 1 7 . 1 1 27 27 TRP H H 27 6.816 6.816 7.090 -0.274 19300 1019 1 7 . 1 1 28 28 CYS N N 28 120.417 120.417 121.941 -1.524 19300 1020 1 7 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.081 -0.053 19300 1021 1 7 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.897 -3.750 19300 1022 1 7 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.581 16.005 19300 1023 1 7 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300 1024 1 7 . 1 1 29 29 VAL N N 29 117.638 117.638 117.344 0.294 19300 1025 1 7 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.911 0.017 19300 1026 1 7 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.508 -0.161 19300 1027 1 7 . 1 1 29 29 VAL CB C 29 35.527 35.527 35.239 0.288 19300 1028 1 7 . 1 1 29 29 VAL H H 29 9.648 9.648 8.943 0.705 19300 1029 1 7 . 1 1 30 30 TRP N N 30 120.857 120.857 121.635 -0.778 19300 1030 1 7 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.697 0.197 19300 1031 1 7 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.009 1.184 19300 1032 1 7 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.747 0.133 19300 1033 1 7 . 1 1 30 30 TRP H H 30 7.875 7.875 8.726 -0.851 19300 1034 1 7 . 1 1 31 31 ASP N N 31 122.575 122.575 124.392 -1.817 19300 1035 1 7 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.942 -0.418 19300 1036 1 7 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.111 -0.956 19300 1037 1 7 . 1 1 31 31 ASP CB C 31 40.532 40.532 40.890 -0.358 19300 1038 1 7 . 1 1 31 31 ASP H H 31 8.813 8.813 8.461 0.352 19300 1039 1 7 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.491 0.241 19300 1040 1 7 . 1 1 32 32 GLY H H 32 8.070 8.070 8.141 -0.071 19300 1041 1 7 . 1 1 33 33 THR N N 33 113.474 113.474 117.166 -3.692 19300 1042 1 7 . 1 1 33 33 THR HA H 33 4.311 4.311 4.470 -0.159 19300 1043 1 7 . 1 1 33 33 THR CA C 33 62.204 62.204 60.146 2.058 19300 1044 1 7 . 1 1 33 33 THR CB C 33 70.173 70.173 69.148 1.025 19300 1045 1 7 . 1 1 33 33 THR H H 33 8.040 8.040 7.827 0.213 19300 1046 1 7 . 1 1 34 34 PHE N N 34 121.941 121.941 121.534 0.407 19300 1047 1 7 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.722 -0.152 19300 1048 1 7 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.503 0.399 19300 1049 1 7 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.169 0.505 19300 1050 1 7 . 1 1 34 34 PHE H H 34 8.282 8.282 7.205 1.077 19300 1051 1 8 . 1 1 2 2 CYS N N 2 120.737 120.737 119.601 1.136 19300 1052 1 8 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.632 0.192 19300 1053 1 8 . 1 1 2 2 CYS H H 2 8.701 8.701 8.300 0.401 19300 1054 1 8 . 1 1 3 3 ARG N N 3 120.701 120.701 122.599 -1.898 19300 1055 1 8 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.727 -0.349 19300 1056 1 8 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.199 2.955 19300 1057 1 8 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.333 -0.608 19300 1058 1 8 . 1 1 3 3 ARG H H 3 8.970 8.970 8.309 0.661 19300 1059 1 8 . 1 1 4 4 TYR N N 4 122.006 122.006 119.736 2.270 19300 1060 1 8 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.671 -0.381 19300 1061 1 8 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.277 1.059 19300 1062 1 8 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.065 0.032 19300 1063 1 8 . 1 1 4 4 TYR H H 4 8.190 8.190 7.997 0.193 19300 1064 1 8 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.197 -0.583 19300 1065 1 8 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.328 1.159 19300 1066 1 8 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.978 -0.318 19300 1067 1 8 . 1 1 6 6 LEU N N 6 121.148 121.148 119.522 1.626 19300 1068 1 8 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.064 -0.104 19300 1069 1 8 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.938 2.081 19300 1070 1 8 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.869 -0.618 19300 1071 1 8 . 1 1 6 6 LEU H H 6 8.701 8.701 8.533 0.168 19300 1072 1 8 . 1 1 7 7 GLY N N 7 110.200 110.200 105.323 4.877 19300 1073 1 8 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.244 -0.434 19300 1074 1 8 . 1 1 7 7 GLY H H 7 8.947 8.947 7.891 1.056 19300 1075 1 8 . 1 1 8 8 GLY N N 8 110.973 110.973 106.962 4.011 19300 1076 1 8 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.334 2.268 19300 1077 1 8 . 1 1 8 8 GLY H H 8 8.699 8.699 7.821 0.878 19300 1078 1 8 . 1 1 9 9 CYS N N 9 117.019 117.019 117.816 -0.797 19300 1079 1 8 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.696 0.516 19300 1080 1 8 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.210 -2.030 19300 1081 1 8 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.936 15.983 19300 1082 1 8 . 1 1 9 9 CYS H H 9 8.407 8.407 8.307 0.100 19300 1083 1 8 . 1 1 10 10 SER N N 10 116.524 116.524 115.174 1.350 19300 1084 1 8 . 1 1 10 10 SER HA H 10 4.384 4.384 4.460 -0.076 19300 1085 1 8 . 1 1 10 10 SER CA C 10 59.172 59.172 58.379 0.793 19300 1086 1 8 . 1 1 10 10 SER CB C 10 63.793 63.793 64.769 -0.976 19300 1087 1 8 . 1 1 10 10 SER H H 10 8.180 8.180 8.148 0.032 19300 1088 1 8 . 1 1 11 11 ALA N N 11 124.635 124.635 123.203 1.432 19300 1089 1 8 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.292 0.167 19300 1090 1 8 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.013 -1.348 19300 1091 1 8 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.653 -0.467 19300 1092 1 8 . 1 1 11 11 ALA H H 11 8.648 8.648 8.455 0.193 19300 1093 1 8 . 1 1 12 12 GLY N N 12 106.219 106.219 105.293 0.926 19300 1094 1 8 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.025 0.306 19300 1095 1 8 . 1 1 12 12 GLY H H 12 8.060 8.060 8.137 -0.077 19300 1096 1 8 . 1 1 13 13 GLN N N 13 121.578 121.578 119.641 1.937 19300 1097 1 8 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.670 -0.359 19300 1098 1 8 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.122 1.032 19300 1099 1 8 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.409 -2.730 19300 1100 1 8 . 1 1 13 13 GLN H H 13 8.394 8.394 7.350 1.044 19300 1101 1 8 . 1 1 14 14 THR N N 14 115.982 115.982 113.395 2.587 19300 1102 1 8 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300 1103 1 8 . 1 1 14 14 THR CA C 14 61.622 61.622 61.089 0.533 19300 1104 1 8 . 1 1 14 14 THR CB C 14 70.762 70.762 71.672 -0.910 19300 1105 1 8 . 1 1 14 14 THR H H 14 8.310 8.310 8.258 0.052 19300 1106 1 8 . 1 1 15 15 CYS N N 15 123.244 123.244 120.104 3.140 19300 1107 1 8 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.883 0.175 19300 1108 1 8 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.404 -3.529 19300 1109 1 8 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.463 12.750 19300 1110 1 8 . 1 1 15 15 CYS H H 15 8.996 8.996 8.487 0.509 19300 1111 1 8 . 1 1 16 16 CYS N N 16 121.708 121.708 122.804 -1.096 19300 1112 1 8 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.346 0.208 19300 1113 1 8 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.005 -6.194 19300 1114 1 8 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.057 11.611 19300 1115 1 8 . 1 1 16 16 CYS H H 16 9.380 9.380 8.950 0.430 19300 1116 1 8 . 1 1 17 17 LYS N N 17 117.934 117.934 121.535 -3.601 19300 1117 1 8 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.142 -0.161 19300 1118 1 8 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.853 0.481 19300 1119 1 8 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.116 -0.601 19300 1120 1 8 . 1 1 17 17 LYS H H 17 7.931 7.931 8.709 -0.778 19300 1121 1 8 . 1 1 18 18 HIS N N 18 112.381 112.381 114.700 -2.319 19300 1122 1 8 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.388 -0.008 19300 1123 1 8 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.440 -2.991 19300 1124 1 8 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.431 -2.596 19300 1125 1 8 . 1 1 18 18 HIS H H 18 8.601 8.601 8.849 -0.248 19300 1126 1 8 . 1 1 19 19 LEU N N 19 119.252 119.252 116.707 2.545 19300 1127 1 8 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.463 -0.164 19300 1128 1 8 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.642 0.381 19300 1129 1 8 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.982 -1.627 19300 1130 1 8 . 1 1 19 19 LEU H H 19 8.094 8.094 7.451 0.643 19300 1131 1 8 . 1 1 20 20 VAL N N 20 116.729 116.729 112.698 4.031 19300 1132 1 8 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.536 -0.028 19300 1133 1 8 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.671 -0.410 19300 1134 1 8 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.888 0.015 19300 1135 1 8 . 1 1 20 20 VAL H H 20 9.548 9.548 8.809 0.739 19300 1136 1 8 . 1 1 21 21 CYS N N 21 123.437 123.437 125.834 -2.397 19300 1137 1 8 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.483 0.120 19300 1138 1 8 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.584 -3.183 19300 1139 1 8 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.166 14.194 19300 1140 1 8 . 1 1 21 21 CYS H H 21 8.936 8.936 8.912 0.024 19300 1141 1 8 . 1 1 22 22 SER N N 22 124.898 124.898 122.970 1.928 19300 1142 1 8 . 1 1 22 22 SER HA H 22 4.458 4.458 4.372 0.086 19300 1143 1 8 . 1 1 22 22 SER CA C 22 57.364 57.364 57.781 -0.417 19300 1144 1 8 . 1 1 22 22 SER CB C 22 63.430 63.430 63.138 0.292 19300 1145 1 8 . 1 1 22 22 SER H H 22 8.349 8.349 8.156 0.193 19300 1146 1 8 . 1 1 23 23 ARG N N 23 132.391 132.391 127.656 4.735 19300 1147 1 8 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.045 -0.043 19300 1148 1 8 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.611 -0.080 19300 1149 1 8 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.977 -0.376 19300 1150 1 8 . 1 1 23 23 ARG H H 23 9.009 9.009 8.225 0.784 19300 1151 1 8 . 1 1 24 24 ARG N N 24 117.241 117.241 117.581 -0.340 19300 1152 1 8 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.212 -0.288 19300 1153 1 8 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.201 0.547 19300 1154 1 8 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.140 0.266 19300 1155 1 8 . 1 1 24 24 ARG H H 24 7.945 7.945 7.993 -0.048 19300 1156 1 8 . 1 1 25 25 HIS N N 25 111.143 111.143 115.593 -4.450 19300 1157 1 8 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.933 0.296 19300 1158 1 8 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.039 -2.088 19300 1159 1 8 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.006 -2.027 19300 1160 1 8 . 1 1 25 25 HIS H H 25 7.326 7.326 7.464 -0.138 19300 1161 1 8 . 1 1 26 26 GLY N N 26 106.585 106.585 105.941 0.644 19300 1162 1 8 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.874 1.718 19300 1163 1 8 . 1 1 26 26 GLY H H 26 8.257 8.257 8.243 0.014 19300 1164 1 8 . 1 1 27 27 TRP N N 27 114.076 114.076 117.022 -2.946 19300 1165 1 8 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.026 0.559 19300 1166 1 8 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.680 0.118 19300 1167 1 8 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.732 1.084 19300 1168 1 8 . 1 1 27 27 TRP H H 27 6.816 6.816 7.056 -0.240 19300 1169 1 8 . 1 1 28 28 CYS N N 28 120.417 120.417 121.981 -1.564 19300 1170 1 8 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.949 0.079 19300 1171 1 8 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.935 -3.788 19300 1172 1 8 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.496 16.090 19300 1173 1 8 . 1 1 28 28 CYS H H 28 8.856 8.856 9.118 -0.262 19300 1174 1 8 . 1 1 29 29 VAL N N 29 117.638 117.638 117.660 -0.022 19300 1175 1 8 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.887 0.041 19300 1176 1 8 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.514 -0.167 19300 1177 1 8 . 1 1 29 29 VAL CB C 29 35.527 35.527 35.004 0.523 19300 1178 1 8 . 1 1 29 29 VAL H H 29 9.648 9.648 8.949 0.699 19300 1179 1 8 . 1 1 30 30 TRP N N 30 120.857 120.857 121.498 -0.641 19300 1180 1 8 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.689 0.205 19300 1181 1 8 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.669 1.524 19300 1182 1 8 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.476 0.404 19300 1183 1 8 . 1 1 30 30 TRP H H 30 7.875 7.875 8.744 -0.869 19300 1184 1 8 . 1 1 31 31 ASP N N 31 122.575 122.575 124.950 -2.375 19300 1185 1 8 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.677 -0.153 19300 1186 1 8 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.185 -1.030 19300 1187 1 8 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.229 -0.697 19300 1188 1 8 . 1 1 31 31 ASP H H 31 8.813 8.813 8.351 0.462 19300 1189 1 8 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.072 -0.340 19300 1190 1 8 . 1 1 32 32 GLY H H 32 8.070 8.070 9.101 -1.031 19300 1191 1 8 . 1 1 33 33 THR N N 33 113.474 113.474 115.634 -2.160 19300 1192 1 8 . 1 1 33 33 THR HA H 33 4.311 4.311 4.561 -0.250 19300 1193 1 8 . 1 1 33 33 THR CA C 33 62.204 62.204 62.524 -0.320 19300 1194 1 8 . 1 1 33 33 THR CB C 33 70.173 70.173 70.406 -0.233 19300 1195 1 8 . 1 1 33 33 THR H H 33 8.040 8.040 7.846 0.194 19300 1196 1 8 . 1 1 34 34 PHE N N 34 121.941 121.941 121.764 0.177 19300 1197 1 8 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.539 0.031 19300 1198 1 8 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.877 0.025 19300 1199 1 8 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.048 0.626 19300 1200 1 8 . 1 1 34 34 PHE H H 34 8.282 8.282 8.290 -0.008 19300 1201 1 9 . 1 1 2 2 CYS N N 2 120.737 120.737 118.465 2.272 19300 1202 1 9 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.596 0.228 19300 1203 1 9 . 1 1 2 2 CYS H H 2 8.701 8.701 8.286 0.415 19300 1204 1 9 . 1 1 3 3 ARG N N 3 120.701 120.701 122.534 -1.833 19300 1205 1 9 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300 1206 1 9 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.185 2.969 19300 1207 1 9 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.355 -0.630 19300 1208 1 9 . 1 1 3 3 ARG H H 3 8.970 8.970 8.311 0.659 19300 1209 1 9 . 1 1 4 4 TYR N N 4 122.006 122.006 119.764 2.242 19300 1210 1 9 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.681 -0.391 19300 1211 1 9 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.311 1.025 19300 1212 1 9 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.059 0.038 19300 1213 1 9 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300 1214 1 9 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300 1215 1 9 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.326 1.160 19300 1216 1 9 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.963 -0.303 19300 1217 1 9 . 1 1 6 6 LEU N N 6 121.148 121.148 120.751 0.397 19300 1218 1 9 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.044 -0.084 19300 1219 1 9 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.744 2.275 19300 1220 1 9 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.059 -0.808 19300 1221 1 9 . 1 1 6 6 LEU H H 6 8.701 8.701 8.590 0.111 19300 1222 1 9 . 1 1 7 7 GLY N N 7 110.200 110.200 107.561 2.639 19300 1223 1 9 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.307 -0.497 19300 1224 1 9 . 1 1 7 7 GLY H H 7 8.947 8.947 7.965 0.982 19300 1225 1 9 . 1 1 8 8 GLY N N 8 110.973 110.973 107.248 3.725 19300 1226 1 9 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.343 2.259 19300 1227 1 9 . 1 1 8 8 GLY H H 8 8.699 8.699 7.987 0.712 19300 1228 1 9 . 1 1 9 9 CYS N N 9 117.019 117.019 118.144 -1.125 19300 1229 1 9 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.706 0.506 19300 1230 1 9 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.481 -2.301 19300 1231 1 9 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.514 16.405 19300 1232 1 9 . 1 1 9 9 CYS H H 9 8.407 8.407 8.309 0.098 19300 1233 1 9 . 1 1 10 10 SER N N 10 116.524 116.524 115.100 1.424 19300 1234 1 9 . 1 1 10 10 SER HA H 10 4.384 4.384 4.448 -0.064 19300 1235 1 9 . 1 1 10 10 SER CA C 10 59.172 59.172 58.059 1.113 19300 1236 1 9 . 1 1 10 10 SER CB C 10 63.793 63.793 64.660 -0.867 19300 1237 1 9 . 1 1 10 10 SER H H 10 8.180 8.180 8.199 -0.019 19300 1238 1 9 . 1 1 11 11 ALA N N 11 124.635 124.635 123.442 1.193 19300 1239 1 9 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.292 0.167 19300 1240 1 9 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.967 -1.302 19300 1241 1 9 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.690 -0.504 19300 1242 1 9 . 1 1 11 11 ALA H H 11 8.648 8.648 8.494 0.154 19300 1243 1 9 . 1 1 12 12 GLY N N 12 106.219 106.219 105.333 0.886 19300 1244 1 9 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.027 0.304 19300 1245 1 9 . 1 1 12 12 GLY H H 12 8.060 8.060 8.128 -0.068 19300 1246 1 9 . 1 1 13 13 GLN N N 13 121.578 121.578 119.631 1.947 19300 1247 1 9 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.658 -0.347 19300 1248 1 9 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.112 1.042 19300 1249 1 9 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.390 -2.711 19300 1250 1 9 . 1 1 13 13 GLN H H 13 8.394 8.394 7.409 0.985 19300 1251 1 9 . 1 1 14 14 THR N N 14 115.982 115.982 113.404 2.578 19300 1252 1 9 . 1 1 14 14 THR HA H 14 4.359 4.359 4.593 -0.234 19300 1253 1 9 . 1 1 14 14 THR CA C 14 61.622 61.622 61.072 0.550 19300 1254 1 9 . 1 1 14 14 THR CB C 14 70.762 70.762 71.680 -0.918 19300 1255 1 9 . 1 1 14 14 THR H H 14 8.310 8.310 8.263 0.047 19300 1256 1 9 . 1 1 15 15 CYS N N 15 123.244 123.244 120.082 3.162 19300 1257 1 9 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.877 0.181 19300 1258 1 9 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.372 -3.497 19300 1259 1 9 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.485 12.728 19300 1260 1 9 . 1 1 15 15 CYS H H 15 8.996 8.996 8.480 0.516 19300 1261 1 9 . 1 1 16 16 CYS N N 16 121.708 121.708 122.776 -1.068 19300 1262 1 9 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.360 0.194 19300 1263 1 9 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.760 -5.950 19300 1264 1 9 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.073 11.595 19300 1265 1 9 . 1 1 16 16 CYS H H 16 9.380 9.380 8.941 0.439 19300 1266 1 9 . 1 1 17 17 LYS N N 17 117.934 117.934 121.513 -3.579 19300 1267 1 9 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.129 -0.148 19300 1268 1 9 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.908 0.426 19300 1269 1 9 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.132 -0.617 19300 1270 1 9 . 1 1 17 17 LYS H H 17 7.931 7.931 8.702 -0.771 19300 1271 1 9 . 1 1 18 18 HIS N N 18 112.381 112.381 114.475 -2.094 19300 1272 1 9 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.378 0.002 19300 1273 1 9 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.342 -2.893 19300 1274 1 9 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.603 -2.768 19300 1275 1 9 . 1 1 18 18 HIS H H 18 8.601 8.601 8.845 -0.244 19300 1276 1 9 . 1 1 19 19 LEU N N 19 119.252 119.252 116.712 2.540 19300 1277 1 9 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.496 -0.197 19300 1278 1 9 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.574 0.449 19300 1279 1 9 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.085 -1.730 19300 1280 1 9 . 1 1 19 19 LEU H H 19 8.094 8.094 7.448 0.646 19300 1281 1 9 . 1 1 20 20 VAL N N 20 116.729 116.729 112.309 4.420 19300 1282 1 9 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.501 0.007 19300 1283 1 9 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.469 -0.208 19300 1284 1 9 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.659 0.244 19300 1285 1 9 . 1 1 20 20 VAL H H 20 9.548 9.548 8.701 0.847 19300 1286 1 9 . 1 1 21 21 CYS N N 21 123.437 123.437 125.918 -2.481 19300 1287 1 9 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.455 0.148 19300 1288 1 9 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.471 -3.070 19300 1289 1 9 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.215 14.145 19300 1290 1 9 . 1 1 21 21 CYS H H 21 8.936 8.936 8.827 0.109 19300 1291 1 9 . 1 1 22 22 SER N N 22 124.898 124.898 124.455 0.443 19300 1292 1 9 . 1 1 22 22 SER HA H 22 4.458 4.458 4.447 0.011 19300 1293 1 9 . 1 1 22 22 SER CA C 22 57.364 57.364 57.552 -0.188 19300 1294 1 9 . 1 1 22 22 SER CB C 22 63.430 63.430 63.039 0.391 19300 1295 1 9 . 1 1 22 22 SER H H 22 8.349 8.349 8.133 0.216 19300 1296 1 9 . 1 1 23 23 ARG N N 23 132.391 132.391 127.306 5.085 19300 1297 1 9 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.056 -0.054 19300 1298 1 9 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.677 -0.146 19300 1299 1 9 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.976 -0.375 19300 1300 1 9 . 1 1 23 23 ARG H H 23 9.009 9.009 8.275 0.734 19300 1301 1 9 . 1 1 24 24 ARG N N 24 117.241 117.241 117.450 -0.209 19300 1302 1 9 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.203 -0.279 19300 1303 1 9 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.427 0.321 19300 1304 1 9 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.377 0.029 19300 1305 1 9 . 1 1 24 24 ARG H H 24 7.945 7.945 7.989 -0.044 19300 1306 1 9 . 1 1 25 25 HIS N N 25 111.143 111.143 115.607 -4.464 19300 1307 1 9 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.936 0.293 19300 1308 1 9 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.117 -2.166 19300 1309 1 9 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.916 -1.937 19300 1310 1 9 . 1 1 25 25 HIS H H 25 7.326 7.326 7.509 -0.183 19300 1311 1 9 . 1 1 26 26 GLY N N 26 106.585 106.585 105.967 0.618 19300 1312 1 9 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.877 1.716 19300 1313 1 9 . 1 1 26 26 GLY H H 26 8.257 8.257 8.252 0.005 19300 1314 1 9 . 1 1 27 27 TRP N N 27 114.076 114.076 117.040 -2.964 19300 1315 1 9 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300 1316 1 9 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.688 0.110 19300 1317 1 9 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.738 1.078 19300 1318 1 9 . 1 1 27 27 TRP H H 27 6.816 6.816 7.060 -0.244 19300 1319 1 9 . 1 1 28 28 CYS N N 28 120.417 120.417 122.109 -1.692 19300 1320 1 9 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.990 0.038 19300 1321 1 9 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.923 -3.776 19300 1322 1 9 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.452 16.134 19300 1323 1 9 . 1 1 28 28 CYS H H 28 8.856 8.856 9.115 -0.259 19300 1324 1 9 . 1 1 29 29 VAL N N 29 117.638 117.638 118.430 -0.792 19300 1325 1 9 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.830 0.098 19300 1326 1 9 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.279 0.068 19300 1327 1 9 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.801 0.726 19300 1328 1 9 . 1 1 29 29 VAL H H 29 9.648 9.648 9.150 0.497 19300 1329 1 9 . 1 1 30 30 TRP N N 30 120.857 120.857 121.520 -0.663 19300 1330 1 9 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.658 0.236 19300 1331 1 9 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.925 1.268 19300 1332 1 9 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.800 0.080 19300 1333 1 9 . 1 1 30 30 TRP H H 30 7.875 7.875 8.772 -0.897 19300 1334 1 9 . 1 1 31 31 ASP N N 31 122.575 122.575 124.111 -1.536 19300 1335 1 9 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.689 -0.165 19300 1336 1 9 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.343 -0.188 19300 1337 1 9 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.300 -0.767 19300 1338 1 9 . 1 1 31 31 ASP H H 31 8.813 8.813 8.385 0.428 19300 1339 1 9 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.782 -0.050 19300 1340 1 9 . 1 1 32 32 GLY H H 32 8.070 8.070 9.202 -1.132 19300 1341 1 9 . 1 1 33 33 THR N N 33 113.474 113.474 116.015 -2.541 19300 1342 1 9 . 1 1 33 33 THR HA H 33 4.311 4.311 4.530 -0.219 19300 1343 1 9 . 1 1 33 33 THR CA C 33 62.204 62.204 61.428 0.776 19300 1344 1 9 . 1 1 33 33 THR CB C 33 70.173 70.173 69.657 0.516 19300 1345 1 9 . 1 1 33 33 THR H H 33 8.040 8.040 7.921 0.119 19300 1346 1 9 . 1 1 34 34 PHE N N 34 121.941 121.941 121.938 0.003 19300 1347 1 9 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.605 -0.035 19300 1348 1 9 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.135 -0.233 19300 1349 1 9 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.413 0.261 19300 1350 1 9 . 1 1 34 34 PHE H H 34 8.282 8.282 8.327 -0.045 19300 1351 1 10 . 1 1 2 2 CYS N N 2 120.737 120.737 118.923 1.814 19300 1352 1 10 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.600 0.224 19300 1353 1 10 . 1 1 2 2 CYS H H 2 8.701 8.701 8.305 0.396 19300 1354 1 10 . 1 1 3 3 ARG N N 3 120.701 120.701 122.612 -1.911 19300 1355 1 10 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300 1356 1 10 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.195 2.959 19300 1357 1 10 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.306 -0.581 19300 1358 1 10 . 1 1 3 3 ARG H H 3 8.970 8.970 8.309 0.661 19300 1359 1 10 . 1 1 4 4 TYR N N 4 122.006 122.006 119.754 2.252 19300 1360 1 10 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.676 -0.386 19300 1361 1 10 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.290 1.046 19300 1362 1 10 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.063 0.034 19300 1363 1 10 . 1 1 4 4 TYR H H 4 8.190 8.190 8.002 0.188 19300 1364 1 10 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.191 -0.577 19300 1365 1 10 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.324 1.162 19300 1366 1 10 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.974 -0.314 19300 1367 1 10 . 1 1 6 6 LEU N N 6 121.148 121.148 119.788 1.360 19300 1368 1 10 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.071 -0.111 19300 1369 1 10 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.947 2.072 19300 1370 1 10 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.856 -0.605 19300 1371 1 10 . 1 1 6 6 LEU H H 6 8.701 8.701 8.516 0.185 19300 1372 1 10 . 1 1 7 7 GLY N N 7 110.200 110.200 104.957 5.243 19300 1373 1 10 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.217 -0.407 19300 1374 1 10 . 1 1 7 7 GLY H H 7 8.947 8.947 7.874 1.073 19300 1375 1 10 . 1 1 8 8 GLY N N 8 110.973 110.973 106.449 4.524 19300 1376 1 10 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.357 2.245 19300 1377 1 10 . 1 1 8 8 GLY H H 8 8.699 8.699 8.007 0.692 19300 1378 1 10 . 1 1 9 9 CYS N N 9 117.019 117.019 118.254 -1.235 19300 1379 1 10 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.666 0.546 19300 1380 1 10 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.017 -1.837 19300 1381 1 10 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.636 16.283 19300 1382 1 10 . 1 1 9 9 CYS H H 9 8.407 8.407 8.171 0.236 19300 1383 1 10 . 1 1 10 10 SER N N 10 116.524 116.524 114.906 1.618 19300 1384 1 10 . 1 1 10 10 SER HA H 10 4.384 4.384 4.453 -0.069 19300 1385 1 10 . 1 1 10 10 SER CA C 10 59.172 59.172 58.159 1.013 19300 1386 1 10 . 1 1 10 10 SER CB C 10 63.793 63.793 64.785 -0.992 19300 1387 1 10 . 1 1 10 10 SER H H 10 8.180 8.180 8.177 0.003 19300 1388 1 10 . 1 1 11 11 ALA N N 11 124.635 124.635 123.425 1.210 19300 1389 1 10 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.291 0.168 19300 1390 1 10 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.043 -1.378 19300 1391 1 10 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.682 -0.496 19300 1392 1 10 . 1 1 11 11 ALA H H 11 8.648 8.648 8.507 0.141 19300 1393 1 10 . 1 1 12 12 GLY N N 12 106.219 106.219 104.873 1.346 19300 1394 1 10 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.206 0.125 19300 1395 1 10 . 1 1 12 12 GLY H H 12 8.060 8.060 8.429 -0.369 19300 1396 1 10 . 1 1 13 13 GLN N N 13 121.578 121.578 119.750 1.828 19300 1397 1 10 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.706 -0.395 19300 1398 1 10 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.244 0.910 19300 1399 1 10 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.717 -3.038 19300 1400 1 10 . 1 1 13 13 GLN H H 13 8.394 8.394 7.358 1.036 19300 1401 1 10 . 1 1 14 14 THR N N 14 115.982 115.982 113.383 2.599 19300 1402 1 10 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300 1403 1 10 . 1 1 14 14 THR CA C 14 61.622 61.622 61.075 0.547 19300 1404 1 10 . 1 1 14 14 THR CB C 14 70.762 70.762 71.683 -0.921 19300 1405 1 10 . 1 1 14 14 THR H H 14 8.310 8.310 8.261 0.049 19300 1406 1 10 . 1 1 15 15 CYS N N 15 123.244 123.244 120.106 3.138 19300 1407 1 10 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.883 0.175 19300 1408 1 10 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.388 -3.513 19300 1409 1 10 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.487 12.726 19300 1410 1 10 . 1 1 15 15 CYS H H 15 8.996 8.996 8.482 0.514 19300 1411 1 10 . 1 1 16 16 CYS N N 16 121.708 121.708 122.797 -1.089 19300 1412 1 10 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.360 0.194 19300 1413 1 10 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.834 -6.024 19300 1414 1 10 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.089 11.579 19300 1415 1 10 . 1 1 16 16 CYS H H 16 9.380 9.380 8.943 0.437 19300 1416 1 10 . 1 1 17 17 LYS N N 17 117.934 117.934 121.594 -3.660 19300 1417 1 10 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.136 -0.155 19300 1418 1 10 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.906 0.428 19300 1419 1 10 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.150 -0.635 19300 1420 1 10 . 1 1 17 17 LYS H H 17 7.931 7.931 8.708 -0.777 19300 1421 1 10 . 1 1 18 18 HIS N N 18 112.381 112.381 114.890 -2.509 19300 1422 1 10 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.392 -0.012 19300 1423 1 10 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.384 -2.935 19300 1424 1 10 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.491 -2.656 19300 1425 1 10 . 1 1 18 18 HIS H H 18 8.601 8.601 8.858 -0.257 19300 1426 1 10 . 1 1 19 19 LEU N N 19 119.252 119.252 116.678 2.574 19300 1427 1 10 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.497 -0.198 19300 1428 1 10 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.609 0.414 19300 1429 1 10 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.076 -1.721 19300 1430 1 10 . 1 1 19 19 LEU H H 19 8.094 8.094 7.461 0.633 19300 1431 1 10 . 1 1 20 20 VAL N N 20 116.729 116.729 112.317 4.412 19300 1432 1 10 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.525 -0.017 19300 1433 1 10 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.494 -0.233 19300 1434 1 10 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.786 0.117 19300 1435 1 10 . 1 1 20 20 VAL H H 20 9.548 9.548 8.808 0.740 19300 1436 1 10 . 1 1 21 21 CYS N N 21 123.437 123.437 125.597 -2.160 19300 1437 1 10 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.477 0.126 19300 1438 1 10 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.487 -3.087 19300 1439 1 10 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.151 14.209 19300 1440 1 10 . 1 1 21 21 CYS H H 21 8.936 8.936 8.887 0.049 19300 1441 1 10 . 1 1 22 22 SER N N 22 124.898 124.898 122.755 2.143 19300 1442 1 10 . 1 1 22 22 SER HA H 22 4.458 4.458 4.359 0.099 19300 1443 1 10 . 1 1 22 22 SER CA C 22 57.364 57.364 57.937 -0.573 19300 1444 1 10 . 1 1 22 22 SER CB C 22 63.430 63.430 63.220 0.210 19300 1445 1 10 . 1 1 22 22 SER H H 22 8.349 8.349 8.127 0.222 19300 1446 1 10 . 1 1 23 23 ARG N N 23 132.391 132.391 127.767 4.624 19300 1447 1 10 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.066 -0.064 19300 1448 1 10 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.574 -0.043 19300 1449 1 10 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.023 -0.422 19300 1450 1 10 . 1 1 23 23 ARG H H 23 9.009 9.009 8.311 0.698 19300 1451 1 10 . 1 1 24 24 ARG N N 24 117.241 117.241 117.397 -0.156 19300 1452 1 10 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.183 -0.259 19300 1453 1 10 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.477 0.271 19300 1454 1 10 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.413 -0.007 19300 1455 1 10 . 1 1 24 24 ARG H H 24 7.945 7.945 8.008 -0.063 19300 1456 1 10 . 1 1 25 25 HIS N N 25 111.143 111.143 115.443 -4.300 19300 1457 1 10 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.952 0.277 19300 1458 1 10 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.054 -2.103 19300 1459 1 10 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.010 -2.031 19300 1460 1 10 . 1 1 25 25 HIS H H 25 7.326 7.326 7.491 -0.165 19300 1461 1 10 . 1 1 26 26 GLY N N 26 106.585 106.585 106.090 0.495 19300 1462 1 10 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.881 1.711 19300 1463 1 10 . 1 1 26 26 GLY H H 26 8.257 8.257 8.217 0.040 19300 1464 1 10 . 1 1 27 27 TRP N N 27 114.076 114.076 117.030 -2.954 19300 1465 1 10 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.026 0.559 19300 1466 1 10 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.669 0.129 19300 1467 1 10 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.737 1.079 19300 1468 1 10 . 1 1 27 27 TRP H H 27 6.816 6.816 7.060 -0.244 19300 1469 1 10 . 1 1 28 28 CYS N N 28 120.417 120.417 122.034 -1.617 19300 1470 1 10 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.976 0.052 19300 1471 1 10 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.884 -3.737 19300 1472 1 10 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.485 16.101 19300 1473 1 10 . 1 1 28 28 CYS H H 28 8.856 8.856 9.106 -0.250 19300 1474 1 10 . 1 1 29 29 VAL N N 29 117.638 117.638 117.495 0.143 19300 1475 1 10 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.897 0.031 19300 1476 1 10 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.516 -0.169 19300 1477 1 10 . 1 1 29 29 VAL CB C 29 35.527 35.527 35.016 0.511 19300 1478 1 10 . 1 1 29 29 VAL H H 29 9.648 9.648 8.964 0.684 19300 1479 1 10 . 1 1 30 30 TRP N N 30 120.857 120.857 121.468 -0.611 19300 1480 1 10 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.686 0.208 19300 1481 1 10 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.677 1.516 19300 1482 1 10 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.441 0.439 19300 1483 1 10 . 1 1 30 30 TRP H H 30 7.875 7.875 8.770 -0.895 19300 1484 1 10 . 1 1 31 31 ASP N N 31 122.575 122.575 125.187 -2.612 19300 1485 1 10 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.713 -0.189 19300 1486 1 10 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.499 -1.344 19300 1487 1 10 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.159 -0.627 19300 1488 1 10 . 1 1 31 31 ASP H H 31 8.813 8.813 8.341 0.472 19300 1489 1 10 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.986 -0.254 19300 1490 1 10 . 1 1 32 32 GLY H H 32 8.070 8.070 9.026 -0.956 19300 1491 1 10 . 1 1 33 33 THR N N 33 113.474 113.474 115.412 -1.938 19300 1492 1 10 . 1 1 33 33 THR HA H 33 4.311 4.311 4.486 -0.175 19300 1493 1 10 . 1 1 33 33 THR CA C 33 62.204 62.204 61.873 0.331 19300 1494 1 10 . 1 1 33 33 THR CB C 33 70.173 70.173 70.037 0.136 19300 1495 1 10 . 1 1 33 33 THR H H 33 8.040 8.040 7.973 0.067 19300 1496 1 10 . 1 1 34 34 PHE N N 34 121.941 121.941 122.698 -0.757 19300 1497 1 10 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.558 0.012 19300 1498 1 10 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.625 0.277 19300 1499 1 10 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.137 0.537 19300 1500 1 10 . 1 1 34 34 PHE H H 34 8.282 8.282 8.333 -0.051 19300 1501 1 11 . 1 1 2 2 CYS N N 2 120.737 120.737 119.124 1.613 19300 1502 1 11 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.606 0.218 19300 1503 1 11 . 1 1 2 2 CYS H H 2 8.701 8.701 8.306 0.395 19300 1504 1 11 . 1 1 3 3 ARG N N 3 120.701 120.701 122.552 -1.851 19300 1505 1 11 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300 1506 1 11 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.191 2.963 19300 1507 1 11 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.360 -0.635 19300 1508 1 11 . 1 1 3 3 ARG H H 3 8.970 8.970 8.304 0.666 19300 1509 1 11 . 1 1 4 4 TYR N N 4 122.006 122.006 119.730 2.276 19300 1510 1 11 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.685 -0.395 19300 1511 1 11 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.283 1.052 19300 1512 1 11 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.077 0.020 19300 1513 1 11 . 1 1 4 4 TYR H H 4 8.190 8.190 8.005 0.185 19300 1514 1 11 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300 1515 1 11 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.317 1.169 19300 1516 1 11 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.948 -0.288 19300 1517 1 11 . 1 1 6 6 LEU N N 6 121.148 121.148 119.972 1.176 19300 1518 1 11 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.068 -0.108 19300 1519 1 11 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.960 2.059 19300 1520 1 11 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.850 -0.599 19300 1521 1 11 . 1 1 6 6 LEU H H 6 8.701 8.701 8.504 0.197 19300 1522 1 11 . 1 1 7 7 GLY N N 7 110.200 110.200 105.470 4.730 19300 1523 1 11 . 1 1 7 7 GLY CA C 7 44.810 44.810 44.996 -0.186 19300 1524 1 11 . 1 1 7 7 GLY H H 7 8.947 8.947 7.793 1.154 19300 1525 1 11 . 1 1 8 8 GLY N N 8 110.973 110.973 108.073 2.900 19300 1526 1 11 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.231 2.371 19300 1527 1 11 . 1 1 8 8 GLY H H 8 8.699 8.699 8.034 0.665 19300 1528 1 11 . 1 1 9 9 CYS N N 9 117.019 117.019 118.274 -1.255 19300 1529 1 11 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.704 0.508 19300 1530 1 11 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.651 -2.471 19300 1531 1 11 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.689 16.230 19300 1532 1 11 . 1 1 9 9 CYS H H 9 8.407 8.407 8.334 0.073 19300 1533 1 11 . 1 1 10 10 SER N N 10 116.524 116.524 115.067 1.457 19300 1534 1 11 . 1 1 10 10 SER HA H 10 4.384 4.384 4.450 -0.066 19300 1535 1 11 . 1 1 10 10 SER CA C 10 59.172 59.172 58.424 0.748 19300 1536 1 11 . 1 1 10 10 SER CB C 10 63.793 63.793 64.606 -0.813 19300 1537 1 11 . 1 1 10 10 SER H H 10 8.180 8.180 8.156 0.024 19300 1538 1 11 . 1 1 11 11 ALA N N 11 124.635 124.635 123.364 1.271 19300 1539 1 11 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.294 0.165 19300 1540 1 11 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.958 -1.292 19300 1541 1 11 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.640 -0.454 19300 1542 1 11 . 1 1 11 11 ALA H H 11 8.648 8.648 8.466 0.182 19300 1543 1 11 . 1 1 12 12 GLY N N 12 106.219 106.219 104.890 1.329 19300 1544 1 11 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.205 0.126 19300 1545 1 11 . 1 1 12 12 GLY H H 12 8.060 8.060 8.428 -0.368 19300 1546 1 11 . 1 1 13 13 GLN N N 13 121.578 121.578 120.030 1.548 19300 1547 1 11 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.711 -0.400 19300 1548 1 11 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.163 0.990 19300 1549 1 11 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.453 -2.774 19300 1550 1 11 . 1 1 13 13 GLN H H 13 8.394 8.394 7.355 1.039 19300 1551 1 11 . 1 1 14 14 THR N N 14 115.982 115.982 113.412 2.570 19300 1552 1 11 . 1 1 14 14 THR HA H 14 4.359 4.359 4.653 -0.294 19300 1553 1 11 . 1 1 14 14 THR CA C 14 61.622 61.622 61.105 0.517 19300 1554 1 11 . 1 1 14 14 THR CB C 14 70.762 70.762 71.655 -0.893 19300 1555 1 11 . 1 1 14 14 THR H H 14 8.310 8.310 8.306 0.004 19300 1556 1 11 . 1 1 15 15 CYS N N 15 123.244 123.244 119.935 3.309 19300 1557 1 11 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.860 0.198 19300 1558 1 11 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.611 -3.736 19300 1559 1 11 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.054 12.159 19300 1560 1 11 . 1 1 15 15 CYS H H 15 8.996 8.996 8.481 0.515 19300 1561 1 11 . 1 1 16 16 CYS N N 16 121.708 121.708 122.718 -1.010 19300 1562 1 11 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.403 0.151 19300 1563 1 11 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.413 -6.603 19300 1564 1 11 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.393 11.274 19300 1565 1 11 . 1 1 16 16 CYS H H 16 9.380 9.380 8.824 0.556 19300 1566 1 11 . 1 1 17 17 LYS N N 17 117.934 117.934 121.579 -3.645 19300 1567 1 11 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.123 -0.142 19300 1568 1 11 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.909 0.425 19300 1569 1 11 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.149 -0.634 19300 1570 1 11 . 1 1 17 17 LYS H H 17 7.931 7.931 8.701 -0.770 19300 1571 1 11 . 1 1 18 18 HIS N N 18 112.381 112.381 114.855 -2.474 19300 1572 1 11 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.379 0.001 19300 1573 1 11 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.367 -2.918 19300 1574 1 11 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.588 -2.753 19300 1575 1 11 . 1 1 18 18 HIS H H 18 8.601 8.601 8.856 -0.255 19300 1576 1 11 . 1 1 19 19 LEU N N 19 119.252 119.252 116.965 2.287 19300 1577 1 11 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.520 -0.221 19300 1578 1 11 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.539 0.484 19300 1579 1 11 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.917 -1.562 19300 1580 1 11 . 1 1 19 19 LEU H H 19 8.094 8.094 7.481 0.613 19300 1581 1 11 . 1 1 20 20 VAL N N 20 116.729 116.729 113.182 3.547 19300 1582 1 11 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.474 0.034 19300 1583 1 11 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.475 -0.214 19300 1584 1 11 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.491 0.412 19300 1585 1 11 . 1 1 20 20 VAL H H 20 9.548 9.548 8.780 0.768 19300 1586 1 11 . 1 1 21 21 CYS N N 21 123.437 123.437 126.252 -2.815 19300 1587 1 11 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.414 0.189 19300 1588 1 11 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.541 -3.140 19300 1589 1 11 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.062 14.298 19300 1590 1 11 . 1 1 21 21 CYS H H 21 8.936 8.936 8.873 0.063 19300 1591 1 11 . 1 1 22 22 SER N N 22 124.898 124.898 122.923 1.975 19300 1592 1 11 . 1 1 22 22 SER HA H 22 4.458 4.458 4.437 0.021 19300 1593 1 11 . 1 1 22 22 SER CA C 22 57.364 57.364 57.813 -0.449 19300 1594 1 11 . 1 1 22 22 SER CB C 22 63.430 63.430 63.223 0.207 19300 1595 1 11 . 1 1 22 22 SER H H 22 8.349 8.349 8.148 0.201 19300 1596 1 11 . 1 1 23 23 ARG N N 23 132.391 132.391 127.905 4.486 19300 1597 1 11 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.095 -0.093 19300 1598 1 11 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.403 0.128 19300 1599 1 11 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.002 -0.401 19300 1600 1 11 . 1 1 23 23 ARG H H 23 9.009 9.009 8.450 0.559 19300 1601 1 11 . 1 1 24 24 ARG N N 24 117.241 117.241 116.993 0.248 19300 1602 1 11 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.209 -0.285 19300 1603 1 11 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.433 0.315 19300 1604 1 11 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.031 0.375 19300 1605 1 11 . 1 1 24 24 ARG H H 24 7.945 7.945 8.000 -0.055 19300 1606 1 11 . 1 1 25 25 HIS N N 25 111.143 111.143 115.130 -3.987 19300 1607 1 11 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.068 0.161 19300 1608 1 11 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.596 -1.645 19300 1609 1 11 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.069 -2.090 19300 1610 1 11 . 1 1 25 25 HIS H H 25 7.326 7.326 7.422 -0.096 19300 1611 1 11 . 1 1 26 26 GLY N N 26 106.585 106.585 106.375 0.210 19300 1612 1 11 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.916 1.676 19300 1613 1 11 . 1 1 26 26 GLY H H 26 8.257 8.257 8.233 0.024 19300 1614 1 11 . 1 1 27 27 TRP N N 27 114.076 114.076 117.052 -2.976 19300 1615 1 11 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.026 0.559 19300 1616 1 11 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.684 0.113 19300 1617 1 11 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.729 1.087 19300 1618 1 11 . 1 1 27 27 TRP H H 27 6.816 6.816 7.077 -0.261 19300 1619 1 11 . 1 1 28 28 CYS N N 28 120.417 120.417 122.060 -1.643 19300 1620 1 11 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.003 0.025 19300 1621 1 11 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.931 -3.784 19300 1622 1 11 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.492 16.094 19300 1623 1 11 . 1 1 28 28 CYS H H 28 8.856 8.856 9.119 -0.263 19300 1624 1 11 . 1 1 29 29 VAL N N 29 117.638 117.638 118.449 -0.811 19300 1625 1 11 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.836 0.092 19300 1626 1 11 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.266 0.081 19300 1627 1 11 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.817 0.710 19300 1628 1 11 . 1 1 29 29 VAL H H 29 9.648 9.648 9.148 0.500 19300 1629 1 11 . 1 1 30 30 TRP N N 30 120.857 120.857 121.432 -0.575 19300 1630 1 11 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.661 0.233 19300 1631 1 11 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.899 1.294 19300 1632 1 11 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.771 0.109 19300 1633 1 11 . 1 1 30 30 TRP H H 30 7.875 7.875 8.770 -0.895 19300 1634 1 11 . 1 1 31 31 ASP N N 31 122.575 122.575 124.144 -1.569 19300 1635 1 11 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.685 -0.161 19300 1636 1 11 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.425 -0.270 19300 1637 1 11 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.340 -0.808 19300 1638 1 11 . 1 1 31 31 ASP H H 31 8.813 8.813 8.388 0.425 19300 1639 1 11 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.795 -0.063 19300 1640 1 11 . 1 1 32 32 GLY H H 32 8.070 8.070 9.203 -1.133 19300 1641 1 11 . 1 1 33 33 THR N N 33 113.474 113.474 116.007 -2.533 19300 1642 1 11 . 1 1 33 33 THR HA H 33 4.311 4.311 4.525 -0.214 19300 1643 1 11 . 1 1 33 33 THR CA C 33 62.204 62.204 61.441 0.763 19300 1644 1 11 . 1 1 33 33 THR CB C 33 70.173 70.173 69.645 0.528 19300 1645 1 11 . 1 1 33 33 THR H H 33 8.040 8.040 7.923 0.117 19300 1646 1 11 . 1 1 34 34 PHE N N 34 121.941 121.941 121.959 -0.018 19300 1647 1 11 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.560 0.010 19300 1648 1 11 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.609 0.293 19300 1649 1 11 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.293 0.381 19300 1650 1 11 . 1 1 34 34 PHE H H 34 8.282 8.282 8.397 -0.115 19300 1651 1 12 . 1 1 2 2 CYS N N 2 120.737 120.737 118.897 1.840 19300 1652 1 12 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.613 0.211 19300 1653 1 12 . 1 1 2 2 CYS H H 2 8.701 8.701 8.323 0.378 19300 1654 1 12 . 1 1 3 3 ARG N N 3 120.701 120.701 122.597 -1.896 19300 1655 1 12 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300 1656 1 12 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.191 2.962 19300 1657 1 12 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.339 -0.614 19300 1658 1 12 . 1 1 3 3 ARG H H 3 8.970 8.970 8.307 0.663 19300 1659 1 12 . 1 1 4 4 TYR N N 4 122.006 122.006 119.711 2.295 19300 1660 1 12 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.675 -0.385 19300 1661 1 12 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.280 1.056 19300 1662 1 12 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.069 0.028 19300 1663 1 12 . 1 1 4 4 TYR H H 4 8.190 8.190 7.992 0.198 19300 1664 1 12 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.188 -0.574 19300 1665 1 12 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.324 1.162 19300 1666 1 12 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.958 -0.298 19300 1667 1 12 . 1 1 6 6 LEU N N 6 121.148 121.148 120.793 0.355 19300 1668 1 12 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.036 -0.076 19300 1669 1 12 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.742 2.277 19300 1670 1 12 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.086 -0.835 19300 1671 1 12 . 1 1 6 6 LEU H H 6 8.701 8.701 8.588 0.113 19300 1672 1 12 . 1 1 7 7 GLY N N 7 110.200 110.200 107.032 3.168 19300 1673 1 12 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.211 -0.401 19300 1674 1 12 . 1 1 7 7 GLY H H 7 8.947 8.947 7.937 1.010 19300 1675 1 12 . 1 1 8 8 GLY N N 8 110.973 110.973 107.125 3.848 19300 1676 1 12 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.462 2.140 19300 1677 1 12 . 1 1 8 8 GLY H H 8 8.699 8.699 8.129 0.570 19300 1678 1 12 . 1 1 9 9 CYS N N 9 117.019 117.019 119.071 -2.052 19300 1679 1 12 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.657 0.555 19300 1680 1 12 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.028 -1.848 19300 1681 1 12 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.679 16.240 19300 1682 1 12 . 1 1 9 9 CYS H H 9 8.407 8.407 8.192 0.215 19300 1683 1 12 . 1 1 10 10 SER N N 10 116.524 116.524 115.182 1.342 19300 1684 1 12 . 1 1 10 10 SER HA H 10 4.384 4.384 4.456 -0.072 19300 1685 1 12 . 1 1 10 10 SER CA C 10 59.172 59.172 58.282 0.889 19300 1686 1 12 . 1 1 10 10 SER CB C 10 63.793 63.793 64.873 -1.080 19300 1687 1 12 . 1 1 10 10 SER H H 10 8.180 8.180 8.152 0.028 19300 1688 1 12 . 1 1 11 11 ALA N N 11 124.635 124.635 123.457 1.178 19300 1689 1 12 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.278 0.181 19300 1690 1 12 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.103 -1.438 19300 1691 1 12 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.705 -0.519 19300 1692 1 12 . 1 1 11 11 ALA H H 11 8.648 8.648 8.474 0.174 19300 1693 1 12 . 1 1 12 12 GLY N N 12 106.219 106.219 104.939 1.280 19300 1694 1 12 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.200 0.131 19300 1695 1 12 . 1 1 12 12 GLY H H 12 8.060 8.060 8.430 -0.370 19300 1696 1 12 . 1 1 13 13 GLN N N 13 121.578 121.578 119.757 1.821 19300 1697 1 12 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.707 -0.396 19300 1698 1 12 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.254 0.900 19300 1699 1 12 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.702 -3.023 19300 1700 1 12 . 1 1 13 13 GLN H H 13 8.394 8.394 7.363 1.031 19300 1701 1 12 . 1 1 14 14 THR N N 14 115.982 115.982 113.399 2.583 19300 1702 1 12 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300 1703 1 12 . 1 1 14 14 THR CA C 14 61.622 61.622 61.086 0.536 19300 1704 1 12 . 1 1 14 14 THR CB C 14 70.762 70.762 71.679 -0.917 19300 1705 1 12 . 1 1 14 14 THR H H 14 8.310 8.310 8.260 0.050 19300 1706 1 12 . 1 1 15 15 CYS N N 15 123.244 123.244 120.090 3.154 19300 1707 1 12 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.881 0.177 19300 1708 1 12 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.386 -3.511 19300 1709 1 12 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.454 12.759 19300 1710 1 12 . 1 1 15 15 CYS H H 15 8.996 8.996 8.487 0.509 19300 1711 1 12 . 1 1 16 16 CYS N N 16 121.708 121.708 122.781 -1.073 19300 1712 1 12 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.358 0.196 19300 1713 1 12 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.833 -6.022 19300 1714 1 12 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.077 11.591 19300 1715 1 12 . 1 1 16 16 CYS H H 16 9.380 9.380 8.944 0.436 19300 1716 1 12 . 1 1 17 17 LYS N N 17 117.934 117.934 121.612 -3.678 19300 1717 1 12 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.136 -0.155 19300 1718 1 12 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.916 0.418 19300 1719 1 12 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.150 -0.635 19300 1720 1 12 . 1 1 17 17 LYS H H 17 7.931 7.931 8.709 -0.778 19300 1721 1 12 . 1 1 18 18 HIS N N 18 112.381 112.381 114.769 -2.388 19300 1722 1 12 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.391 -0.011 19300 1723 1 12 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.422 -2.973 19300 1724 1 12 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.469 -2.634 19300 1725 1 12 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300 1726 1 12 . 1 1 19 19 LEU N N 19 119.252 119.252 117.002 2.250 19300 1727 1 12 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.532 -0.233 19300 1728 1 12 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.602 0.421 19300 1729 1 12 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.901 -1.546 19300 1730 1 12 . 1 1 19 19 LEU H H 19 8.094 8.094 7.495 0.599 19300 1731 1 12 . 1 1 20 20 VAL N N 20 116.729 116.729 113.362 3.367 19300 1732 1 12 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.515 -0.007 19300 1733 1 12 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.560 -0.299 19300 1734 1 12 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.677 0.226 19300 1735 1 12 . 1 1 20 20 VAL H H 20 9.548 9.548 8.821 0.727 19300 1736 1 12 . 1 1 21 21 CYS N N 21 123.437 123.437 125.783 -2.346 19300 1737 1 12 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.438 0.165 19300 1738 1 12 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.650 -3.249 19300 1739 1 12 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.140 14.220 19300 1740 1 12 . 1 1 21 21 CYS H H 21 8.936 8.936 8.829 0.107 19300 1741 1 12 . 1 1 22 22 SER N N 22 124.898 124.898 122.698 2.200 19300 1742 1 12 . 1 1 22 22 SER HA H 22 4.458 4.458 4.375 0.083 19300 1743 1 12 . 1 1 22 22 SER CA C 22 57.364 57.364 57.758 -0.394 19300 1744 1 12 . 1 1 22 22 SER CB C 22 63.430 63.430 63.242 0.188 19300 1745 1 12 . 1 1 22 22 SER H H 22 8.349 8.349 8.108 0.241 19300 1746 1 12 . 1 1 23 23 ARG N N 23 132.391 132.391 127.712 4.679 19300 1747 1 12 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.088 -0.086 19300 1748 1 12 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.494 0.037 19300 1749 1 12 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.078 -0.477 19300 1750 1 12 . 1 1 23 23 ARG H H 23 9.009 9.009 8.351 0.658 19300 1751 1 12 . 1 1 24 24 ARG N N 24 117.241 117.241 116.934 0.307 19300 1752 1 12 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.180 -0.256 19300 1753 1 12 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.688 0.060 19300 1754 1 12 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.169 0.236 19300 1755 1 12 . 1 1 24 24 ARG H H 24 7.945 7.945 8.026 -0.081 19300 1756 1 12 . 1 1 25 25 HIS N N 25 111.143 111.143 115.212 -4.069 19300 1757 1 12 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.065 0.164 19300 1758 1 12 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.612 -1.661 19300 1759 1 12 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.998 -2.019 19300 1760 1 12 . 1 1 25 25 HIS H H 25 7.326 7.326 7.443 -0.117 19300 1761 1 12 . 1 1 26 26 GLY N N 26 106.585 106.585 106.325 0.260 19300 1762 1 12 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.900 1.692 19300 1763 1 12 . 1 1 26 26 GLY H H 26 8.257 8.257 8.226 0.031 19300 1764 1 12 . 1 1 27 27 TRP N N 27 114.076 114.076 117.020 -2.944 19300 1765 1 12 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300 1766 1 12 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.665 0.133 19300 1767 1 12 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.724 1.091 19300 1768 1 12 . 1 1 27 27 TRP H H 27 6.816 6.816 7.077 -0.261 19300 1769 1 12 . 1 1 28 28 CYS N N 28 120.417 120.417 121.960 -1.543 19300 1770 1 12 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.998 0.030 19300 1771 1 12 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.873 -3.726 19300 1772 1 12 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.524 16.062 19300 1773 1 12 . 1 1 28 28 CYS H H 28 8.856 8.856 9.111 -0.255 19300 1774 1 12 . 1 1 29 29 VAL N N 29 117.638 117.638 117.535 0.103 19300 1775 1 12 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.913 0.015 19300 1776 1 12 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.516 -0.169 19300 1777 1 12 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.976 0.551 19300 1778 1 12 . 1 1 29 29 VAL H H 29 9.648 9.648 8.958 0.690 19300 1779 1 12 . 1 1 30 30 TRP N N 30 120.857 120.857 121.391 -0.534 19300 1780 1 12 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.692 0.202 19300 1781 1 12 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.626 1.567 19300 1782 1 12 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.476 0.404 19300 1783 1 12 . 1 1 30 30 TRP H H 30 7.875 7.875 8.764 -0.889 19300 1784 1 12 . 1 1 31 31 ASP N N 31 122.575 122.575 125.113 -2.538 19300 1785 1 12 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.693 -0.169 19300 1786 1 12 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.346 -1.191 19300 1787 1 12 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.125 -0.593 19300 1788 1 12 . 1 1 31 31 ASP H H 31 8.813 8.813 8.359 0.454 19300 1789 1 12 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.007 -0.275 19300 1790 1 12 . 1 1 32 32 GLY H H 32 8.070 8.070 9.030 -0.960 19300 1791 1 12 . 1 1 33 33 THR N N 33 113.474 113.474 115.393 -1.919 19300 1792 1 12 . 1 1 33 33 THR HA H 33 4.311 4.311 4.491 -0.180 19300 1793 1 12 . 1 1 33 33 THR CA C 33 62.204 62.204 61.864 0.340 19300 1794 1 12 . 1 1 33 33 THR CB C 33 70.173 70.173 70.049 0.124 19300 1795 1 12 . 1 1 33 33 THR H H 33 8.040 8.040 7.954 0.086 19300 1796 1 12 . 1 1 34 34 PHE N N 34 121.941 121.941 122.731 -0.790 19300 1797 1 12 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.543 0.027 19300 1798 1 12 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.636 0.266 19300 1799 1 12 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.147 0.527 19300 1800 1 12 . 1 1 34 34 PHE H H 34 8.282 8.282 8.358 -0.076 19300 1801 1 13 . 1 1 2 2 CYS N N 2 120.737 120.737 119.078 1.659 19300 1802 1 13 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.655 0.169 19300 1803 1 13 . 1 1 2 2 CYS H H 2 8.701 8.701 8.242 0.459 19300 1804 1 13 . 1 1 3 3 ARG N N 3 120.701 120.701 122.547 -1.846 19300 1805 1 13 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300 1806 1 13 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.176 2.978 19300 1807 1 13 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.365 -0.640 19300 1808 1 13 . 1 1 3 3 ARG H H 3 8.970 8.970 8.296 0.674 19300 1809 1 13 . 1 1 4 4 TYR N N 4 122.006 122.006 119.721 2.285 19300 1810 1 13 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.679 -0.389 19300 1811 1 13 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.277 1.059 19300 1812 1 13 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.071 0.026 19300 1813 1 13 . 1 1 4 4 TYR H H 4 8.190 8.190 7.999 0.191 19300 1814 1 13 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.181 -0.567 19300 1815 1 13 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.316 1.169 19300 1816 1 13 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.938 -0.278 19300 1817 1 13 . 1 1 6 6 LEU N N 6 121.148 121.148 119.693 1.455 19300 1818 1 13 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.056 -0.096 19300 1819 1 13 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.931 2.088 19300 1820 1 13 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.867 -0.617 19300 1821 1 13 . 1 1 6 6 LEU H H 6 8.701 8.701 8.541 0.160 19300 1822 1 13 . 1 1 7 7 GLY N N 7 110.200 110.200 105.328 4.872 19300 1823 1 13 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.248 -0.438 19300 1824 1 13 . 1 1 7 7 GLY H H 7 8.947 8.947 7.893 1.054 19300 1825 1 13 . 1 1 8 8 GLY N N 8 110.973 110.973 105.984 4.989 19300 1826 1 13 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.367 2.235 19300 1827 1 13 . 1 1 8 8 GLY H H 8 8.699 8.699 7.839 0.860 19300 1828 1 13 . 1 1 9 9 CYS N N 9 117.019 117.019 117.282 -0.263 19300 1829 1 13 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.627 0.585 19300 1830 1 13 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.201 -2.021 19300 1831 1 13 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.822 15.097 19300 1832 1 13 . 1 1 9 9 CYS H H 9 8.407 8.407 8.192 0.215 19300 1833 1 13 . 1 1 10 10 SER N N 10 116.524 116.524 115.160 1.364 19300 1834 1 13 . 1 1 10 10 SER HA H 10 4.384 4.384 4.445 -0.061 19300 1835 1 13 . 1 1 10 10 SER CA C 10 59.172 59.172 58.031 1.141 19300 1836 1 13 . 1 1 10 10 SER CB C 10 63.793 63.793 64.752 -0.960 19300 1837 1 13 . 1 1 10 10 SER H H 10 8.180 8.180 8.203 -0.023 19300 1838 1 13 . 1 1 11 11 ALA N N 11 124.635 124.635 123.518 1.117 19300 1839 1 13 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.285 0.174 19300 1840 1 13 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.998 -1.333 19300 1841 1 13 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.703 -0.517 19300 1842 1 13 . 1 1 11 11 ALA H H 11 8.648 8.648 8.512 0.136 19300 1843 1 13 . 1 1 12 12 GLY N N 12 106.219 106.219 105.180 1.039 19300 1844 1 13 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.046 0.285 19300 1845 1 13 . 1 1 12 12 GLY H H 12 8.060 8.060 8.143 -0.083 19300 1846 1 13 . 1 1 13 13 GLN N N 13 121.578 121.578 119.703 1.875 19300 1847 1 13 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.711 -0.400 19300 1848 1 13 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.157 0.997 19300 1849 1 13 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.492 -2.813 19300 1850 1 13 . 1 1 13 13 GLN H H 13 8.394 8.394 7.409 0.985 19300 1851 1 13 . 1 1 14 14 THR N N 14 115.982 115.982 113.425 2.557 19300 1852 1 13 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300 1853 1 13 . 1 1 14 14 THR CA C 14 61.622 61.622 61.088 0.534 19300 1854 1 13 . 1 1 14 14 THR CB C 14 70.762 70.762 71.718 -0.956 19300 1855 1 13 . 1 1 14 14 THR H H 14 8.310 8.310 8.271 0.039 19300 1856 1 13 . 1 1 15 15 CYS N N 15 123.244 123.244 120.218 3.026 19300 1857 1 13 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.883 0.175 19300 1858 1 13 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.416 -3.541 19300 1859 1 13 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.318 12.895 19300 1860 1 13 . 1 1 15 15 CYS H H 15 8.996 8.996 8.492 0.504 19300 1861 1 13 . 1 1 16 16 CYS N N 16 121.708 121.708 122.911 -1.203 19300 1862 1 13 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.354 0.200 19300 1863 1 13 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.803 -5.993 19300 1864 1 13 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.066 11.602 19300 1865 1 13 . 1 1 16 16 CYS H H 16 9.380 9.380 8.943 0.437 19300 1866 1 13 . 1 1 17 17 LYS N N 17 117.934 117.934 121.582 -3.648 19300 1867 1 13 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.128 -0.147 19300 1868 1 13 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.917 0.417 19300 1869 1 13 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.139 -0.624 19300 1870 1 13 . 1 1 17 17 LYS H H 17 7.931 7.931 8.703 -0.772 19300 1871 1 13 . 1 1 18 18 HIS N N 18 112.381 112.381 114.788 -2.407 19300 1872 1 13 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.377 0.003 19300 1873 1 13 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.415 -2.966 19300 1874 1 13 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.442 -2.607 19300 1875 1 13 . 1 1 18 18 HIS H H 18 8.601 8.601 8.846 -0.245 19300 1876 1 13 . 1 1 19 19 LEU N N 19 119.252 119.252 116.899 2.353 19300 1877 1 13 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.478 -0.179 19300 1878 1 13 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.552 0.471 19300 1879 1 13 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.762 -1.407 19300 1880 1 13 . 1 1 19 19 LEU H H 19 8.094 8.094 7.455 0.639 19300 1881 1 13 . 1 1 20 20 VAL N N 20 116.729 116.729 113.361 3.368 19300 1882 1 13 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.488 0.020 19300 1883 1 13 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.343 -0.082 19300 1884 1 13 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.567 0.336 19300 1885 1 13 . 1 1 20 20 VAL H H 20 9.548 9.548 8.729 0.819 19300 1886 1 13 . 1 1 21 21 CYS N N 21 123.437 123.437 126.469 -3.032 19300 1887 1 13 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.452 0.151 19300 1888 1 13 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.452 -3.051 19300 1889 1 13 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.065 14.295 19300 1890 1 13 . 1 1 21 21 CYS H H 21 8.936 8.936 8.971 -0.035 19300 1891 1 13 . 1 1 22 22 SER N N 22 124.898 124.898 121.958 2.940 19300 1892 1 13 . 1 1 22 22 SER HA H 22 4.458 4.458 4.433 0.025 19300 1893 1 13 . 1 1 22 22 SER CA C 22 57.364 57.364 58.181 -0.817 19300 1894 1 13 . 1 1 22 22 SER CB C 22 63.430 63.430 63.484 -0.054 19300 1895 1 13 . 1 1 22 22 SER H H 22 8.349 8.349 8.072 0.277 19300 1896 1 13 . 1 1 23 23 ARG N N 23 132.391 132.391 127.972 4.419 19300 1897 1 13 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.127 -0.125 19300 1898 1 13 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.348 0.183 19300 1899 1 13 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.929 -0.328 19300 1900 1 13 . 1 1 23 23 ARG H H 23 9.009 9.009 8.405 0.604 19300 1901 1 13 . 1 1 24 24 ARG N N 24 117.241 117.241 117.285 -0.044 19300 1902 1 13 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.165 -0.241 19300 1903 1 13 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.843 -0.095 19300 1904 1 13 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.175 0.231 19300 1905 1 13 . 1 1 24 24 ARG H H 24 7.945 7.945 8.087 -0.142 19300 1906 1 13 . 1 1 25 25 HIS N N 25 111.143 111.143 115.160 -4.017 19300 1907 1 13 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.070 0.159 19300 1908 1 13 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.659 -1.708 19300 1909 1 13 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.011 -2.032 19300 1910 1 13 . 1 1 25 25 HIS H H 25 7.326 7.326 7.447 -0.121 19300 1911 1 13 . 1 1 26 26 GLY N N 26 106.585 106.585 106.387 0.198 19300 1912 1 13 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.913 1.679 19300 1913 1 13 . 1 1 26 26 GLY H H 26 8.257 8.257 8.234 0.023 19300 1914 1 13 . 1 1 27 27 TRP N N 27 114.076 114.076 117.058 -2.982 19300 1915 1 13 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.023 0.562 19300 1916 1 13 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.684 0.115 19300 1917 1 13 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.721 1.095 19300 1918 1 13 . 1 1 27 27 TRP H H 27 6.816 6.816 7.085 -0.269 19300 1919 1 13 . 1 1 28 28 CYS N N 28 120.417 120.417 121.405 -0.988 19300 1920 1 13 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.964 0.064 19300 1921 1 13 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.075 -3.928 19300 1922 1 13 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.440 16.146 19300 1923 1 13 . 1 1 28 28 CYS H H 28 8.856 8.856 9.142 -0.286 19300 1924 1 13 . 1 1 29 29 VAL N N 29 117.638 117.638 118.618 -0.980 19300 1925 1 13 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.877 0.051 19300 1926 1 13 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.154 0.193 19300 1927 1 13 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.775 0.752 19300 1928 1 13 . 1 1 29 29 VAL H H 29 9.648 9.648 9.003 0.645 19300 1929 1 13 . 1 1 30 30 TRP N N 30 120.857 120.857 121.847 -0.990 19300 1930 1 13 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.688 0.206 19300 1931 1 13 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.204 0.989 19300 1932 1 13 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.640 0.239 19300 1933 1 13 . 1 1 30 30 TRP H H 30 7.875 7.875 8.743 -0.868 19300 1934 1 13 . 1 1 31 31 ASP N N 31 122.575 122.575 124.298 -1.723 19300 1935 1 13 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.688 -0.164 19300 1936 1 13 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.469 -0.314 19300 1937 1 13 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.376 -0.844 19300 1938 1 13 . 1 1 31 31 ASP H H 31 8.813 8.813 8.393 0.420 19300 1939 1 13 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.008 -0.276 19300 1940 1 13 . 1 1 32 32 GLY H H 32 8.070 8.070 9.204 -1.134 19300 1941 1 13 . 1 1 33 33 THR N N 33 113.474 113.474 117.080 -3.606 19300 1942 1 13 . 1 1 33 33 THR HA H 33 4.311 4.311 4.625 -0.314 19300 1943 1 13 . 1 1 33 33 THR CA C 33 62.204 62.204 62.079 0.125 19300 1944 1 13 . 1 1 33 33 THR CB C 33 70.173 70.173 70.169 0.003 19300 1945 1 13 . 1 1 33 33 THR H H 33 8.040 8.040 7.873 0.167 19300 1946 1 13 . 1 1 34 34 PHE N N 34 121.941 121.941 122.347 -0.406 19300 1947 1 13 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.582 -0.012 19300 1948 1 13 . 1 1 34 34 PHE CA C 34 57.902 57.902 56.877 1.025 19300 1949 1 13 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.164 0.510 19300 1950 1 13 . 1 1 34 34 PHE H H 34 8.282 8.282 8.154 0.128 19300 1951 1 14 . 1 1 2 2 CYS N N 2 120.737 120.737 119.099 1.638 19300 1952 1 14 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.604 0.220 19300 1953 1 14 . 1 1 2 2 CYS H H 2 8.701 8.701 8.332 0.369 19300 1954 1 14 . 1 1 3 3 ARG N N 3 120.701 120.701 122.562 -1.861 19300 1955 1 14 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.724 -0.346 19300 1956 1 14 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.194 2.960 19300 1957 1 14 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.335 -0.610 19300 1958 1 14 . 1 1 3 3 ARG H H 3 8.970 8.970 8.302 0.668 19300 1959 1 14 . 1 1 4 4 TYR N N 4 122.006 122.006 119.750 2.256 19300 1960 1 14 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.672 -0.382 19300 1961 1 14 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.290 1.046 19300 1962 1 14 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.060 0.037 19300 1963 1 14 . 1 1 4 4 TYR H H 4 8.190 8.190 7.992 0.198 19300 1964 1 14 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.185 -0.571 19300 1965 1 14 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.335 1.151 19300 1966 1 14 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.969 -0.309 19300 1967 1 14 . 1 1 6 6 LEU N N 6 121.148 121.148 120.789 0.359 19300 1968 1 14 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.041 -0.081 19300 1969 1 14 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.746 2.273 19300 1970 1 14 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.075 -0.824 19300 1971 1 14 . 1 1 6 6 LEU H H 6 8.701 8.701 8.607 0.095 19300 1972 1 14 . 1 1 7 7 GLY N N 7 110.200 110.200 106.498 3.702 19300 1973 1 14 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.316 -0.506 19300 1974 1 14 . 1 1 7 7 GLY H H 7 8.947 8.947 8.041 0.906 19300 1975 1 14 . 1 1 8 8 GLY N N 8 110.973 110.973 105.829 5.144 19300 1976 1 14 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.386 2.216 19300 1977 1 14 . 1 1 8 8 GLY H H 8 8.699 8.699 7.826 0.873 19300 1978 1 14 . 1 1 9 9 CYS N N 9 117.019 117.019 118.116 -1.097 19300 1979 1 14 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.623 0.589 19300 1980 1 14 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.299 -2.119 19300 1981 1 14 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.889 15.030 19300 1982 1 14 . 1 1 9 9 CYS H H 9 8.407 8.407 8.150 0.257 19300 1983 1 14 . 1 1 10 10 SER N N 10 116.524 116.524 115.056 1.468 19300 1984 1 14 . 1 1 10 10 SER HA H 10 4.384 4.384 4.441 -0.057 19300 1985 1 14 . 1 1 10 10 SER CA C 10 59.172 59.172 58.220 0.952 19300 1986 1 14 . 1 1 10 10 SER CB C 10 63.793 63.793 64.541 -0.748 19300 1987 1 14 . 1 1 10 10 SER H H 10 8.180 8.180 8.177 0.003 19300 1988 1 14 . 1 1 11 11 ALA N N 11 124.635 124.635 123.465 1.170 19300 1989 1 14 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.293 0.166 19300 1990 1 14 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.912 -1.247 19300 1991 1 14 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.642 -0.456 19300 1992 1 14 . 1 1 11 11 ALA H H 11 8.648 8.648 8.476 0.172 19300 1993 1 14 . 1 1 12 12 GLY N N 12 106.219 106.219 104.914 1.305 19300 1994 1 14 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.203 0.128 19300 1995 1 14 . 1 1 12 12 GLY H H 12 8.060 8.060 8.423 -0.363 19300 1996 1 14 . 1 1 13 13 GLN N N 13 121.578 121.578 119.785 1.793 19300 1997 1 14 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.752 -0.441 19300 1998 1 14 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.187 0.967 19300 1999 1 14 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.573 -2.894 19300 2000 1 14 . 1 1 13 13 GLN H H 13 8.394 8.394 7.345 1.049 19300 2001 1 14 . 1 1 14 14 THR N N 14 115.982 115.982 113.392 2.590 19300 2002 1 14 . 1 1 14 14 THR HA H 14 4.359 4.359 4.626 -0.267 19300 2003 1 14 . 1 1 14 14 THR CA C 14 61.622 61.622 61.132 0.490 19300 2004 1 14 . 1 1 14 14 THR CB C 14 70.762 70.762 71.723 -0.961 19300 2005 1 14 . 1 1 14 14 THR H H 14 8.310 8.310 8.327 -0.017 19300 2006 1 14 . 1 1 15 15 CYS N N 15 123.244 123.244 119.872 3.372 19300 2007 1 14 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.853 0.205 19300 2008 1 14 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.548 -3.674 19300 2009 1 14 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.023 12.191 19300 2010 1 14 . 1 1 15 15 CYS H H 15 8.996 8.996 8.542 0.454 19300 2011 1 14 . 1 1 16 16 CYS N N 16 121.708 121.708 122.928 -1.220 19300 2012 1 14 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.373 0.181 19300 2013 1 14 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.430 -6.620 19300 2014 1 14 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.424 11.244 19300 2015 1 14 . 1 1 16 16 CYS H H 16 9.380 9.380 8.833 0.547 19300 2016 1 14 . 1 1 17 17 LYS N N 17 117.934 117.934 121.625 -3.691 19300 2017 1 14 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.133 -0.152 19300 2018 1 14 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.928 0.406 19300 2019 1 14 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.154 -0.639 19300 2020 1 14 . 1 1 17 17 LYS H H 17 7.931 7.931 8.709 -0.778 19300 2021 1 14 . 1 1 18 18 HIS N N 18 112.381 112.381 114.701 -2.320 19300 2022 1 14 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.392 -0.012 19300 2023 1 14 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.412 -2.963 19300 2024 1 14 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.546 -2.711 19300 2025 1 14 . 1 1 18 18 HIS H H 18 8.601 8.601 8.857 -0.256 19300 2026 1 14 . 1 1 19 19 LEU N N 19 119.252 119.252 116.801 2.451 19300 2027 1 14 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.524 -0.225 19300 2028 1 14 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.584 0.438 19300 2029 1 14 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.020 -1.665 19300 2030 1 14 . 1 1 19 19 LEU H H 19 8.094 8.094 7.480 0.614 19300 2031 1 14 . 1 1 20 20 VAL N N 20 116.729 116.729 112.697 4.032 19300 2032 1 14 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.534 -0.026 19300 2033 1 14 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.625 -0.364 19300 2034 1 14 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.769 0.134 19300 2035 1 14 . 1 1 20 20 VAL H H 20 9.548 9.548 8.814 0.734 19300 2036 1 14 . 1 1 21 21 CYS N N 21 123.437 123.437 125.688 -2.251 19300 2037 1 14 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.460 0.143 19300 2038 1 14 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.561 -3.160 19300 2039 1 14 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.148 14.212 19300 2040 1 14 . 1 1 21 21 CYS H H 21 8.936 8.936 8.869 0.067 19300 2041 1 14 . 1 1 22 22 SER N N 22 124.898 124.898 122.581 2.317 19300 2042 1 14 . 1 1 22 22 SER HA H 22 4.458 4.458 4.373 0.085 19300 2043 1 14 . 1 1 22 22 SER CA C 22 57.364 57.364 57.974 -0.610 19300 2044 1 14 . 1 1 22 22 SER CB C 22 63.430 63.430 63.469 -0.039 19300 2045 1 14 . 1 1 22 22 SER H H 22 8.349 8.349 8.069 0.280 19300 2046 1 14 . 1 1 23 23 ARG N N 23 132.391 132.391 127.967 4.424 19300 2047 1 14 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.112 -0.110 19300 2048 1 14 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.473 0.058 19300 2049 1 14 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.982 -0.381 19300 2050 1 14 . 1 1 23 23 ARG H H 23 9.009 9.009 8.368 0.641 19300 2051 1 14 . 1 1 24 24 ARG N N 24 117.241 117.241 117.320 -0.079 19300 2052 1 14 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.157 -0.233 19300 2053 1 14 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.810 -0.062 19300 2054 1 14 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.099 0.307 19300 2055 1 14 . 1 1 24 24 ARG H H 24 7.945 7.945 8.077 -0.132 19300 2056 1 14 . 1 1 25 25 HIS N N 25 111.143 111.143 115.096 -3.953 19300 2057 1 14 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.055 0.174 19300 2058 1 14 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.644 -1.692 19300 2059 1 14 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.985 -2.006 19300 2060 1 14 . 1 1 25 25 HIS H H 25 7.326 7.326 7.431 -0.105 19300 2061 1 14 . 1 1 26 26 GLY N N 26 106.585 106.585 106.300 0.285 19300 2062 1 14 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.903 1.689 19300 2063 1 14 . 1 1 26 26 GLY H H 26 8.257 8.257 8.215 0.042 19300 2064 1 14 . 1 1 27 27 TRP N N 27 114.076 114.076 117.020 -2.944 19300 2065 1 14 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300 2066 1 14 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.673 0.124 19300 2067 1 14 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.729 1.087 19300 2068 1 14 . 1 1 27 27 TRP H H 27 6.816 6.816 7.079 -0.263 19300 2069 1 14 . 1 1 28 28 CYS N N 28 120.417 120.417 121.897 -1.480 19300 2070 1 14 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.024 0.004 19300 2071 1 14 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.461 -4.314 19300 2072 1 14 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.270 16.316 19300 2073 1 14 . 1 1 28 28 CYS H H 28 8.856 8.856 9.164 -0.308 19300 2074 1 14 . 1 1 29 29 VAL N N 29 117.638 117.638 118.343 -0.705 19300 2075 1 14 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.866 0.062 19300 2076 1 14 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.862 0.485 19300 2077 1 14 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.519 1.008 19300 2078 1 14 . 1 1 29 29 VAL H H 29 9.648 9.648 8.930 0.718 19300 2079 1 14 . 1 1 30 30 TRP N N 30 120.857 120.857 121.887 -1.030 19300 2080 1 14 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.706 0.188 19300 2081 1 14 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.734 1.459 19300 2082 1 14 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.375 0.505 19300 2083 1 14 . 1 1 30 30 TRP H H 30 7.875 7.875 8.721 -0.846 19300 2084 1 14 . 1 1 31 31 ASP N N 31 122.575 122.575 124.859 -2.284 19300 2085 1 14 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.685 -0.161 19300 2086 1 14 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.353 -1.198 19300 2087 1 14 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.217 -0.685 19300 2088 1 14 . 1 1 31 31 ASP H H 31 8.813 8.813 8.317 0.496 19300 2089 1 14 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.870 -0.138 19300 2090 1 14 . 1 1 32 32 GLY H H 32 8.070 8.070 9.018 -0.948 19300 2091 1 14 . 1 1 33 33 THR N N 33 113.474 113.474 114.630 -1.156 19300 2092 1 14 . 1 1 33 33 THR HA H 33 4.311 4.311 4.492 -0.181 19300 2093 1 14 . 1 1 33 33 THR CA C 33 62.204 62.204 61.749 0.455 19300 2094 1 14 . 1 1 33 33 THR CB C 33 70.173 70.173 70.065 0.108 19300 2095 1 14 . 1 1 33 33 THR H H 33 8.040 8.040 7.914 0.126 19300 2096 1 14 . 1 1 34 34 PHE N N 34 121.941 121.941 121.943 -0.002 19300 2097 1 14 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.500 0.070 19300 2098 1 14 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.182 -0.280 19300 2099 1 14 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.163 0.511 19300 2100 1 14 . 1 1 34 34 PHE H H 34 8.282 8.282 8.453 -0.171 19300 2101 1 15 . 1 1 2 2 CYS N N 2 120.737 120.737 119.250 1.487 19300 2102 1 15 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.601 0.223 19300 2103 1 15 . 1 1 2 2 CYS H H 2 8.701 8.701 8.363 0.338 19300 2104 1 15 . 1 1 3 3 ARG N N 3 120.701 120.701 122.567 -1.866 19300 2105 1 15 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.726 -0.348 19300 2106 1 15 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.203 2.951 19300 2107 1 15 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.332 -0.607 19300 2108 1 15 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300 2109 1 15 . 1 1 4 4 TYR N N 4 122.006 122.006 119.746 2.260 19300 2110 1 15 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.677 -0.387 19300 2111 1 15 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.285 1.050 19300 2112 1 15 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.066 0.031 19300 2113 1 15 . 1 1 4 4 TYR H H 4 8.190 8.190 8.001 0.189 19300 2114 1 15 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.191 -0.577 19300 2115 1 15 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.329 1.157 19300 2116 1 15 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.976 -0.316 19300 2117 1 15 . 1 1 6 6 LEU N N 6 121.148 121.148 120.062 1.086 19300 2118 1 15 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.073 -0.113 19300 2119 1 15 . 1 1 6 6 LEU CA C 6 57.019 57.019 55.017 2.002 19300 2120 1 15 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.870 -0.619 19300 2121 1 15 . 1 1 6 6 LEU H H 6 8.701 8.701 8.496 0.205 19300 2122 1 15 . 1 1 7 7 GLY N N 7 110.200 110.200 105.248 4.952 19300 2123 1 15 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.143 -0.333 19300 2124 1 15 . 1 1 7 7 GLY H H 7 8.947 8.947 7.764 1.183 19300 2125 1 15 . 1 1 8 8 GLY N N 8 110.973 110.973 107.315 3.658 19300 2126 1 15 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.374 2.228 19300 2127 1 15 . 1 1 8 8 GLY H H 8 8.699 8.699 7.825 0.874 19300 2128 1 15 . 1 1 9 9 CYS N N 9 117.019 117.019 118.135 -1.116 19300 2129 1 15 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.704 0.508 19300 2130 1 15 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.572 -2.392 19300 2131 1 15 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.535 16.384 19300 2132 1 15 . 1 1 9 9 CYS H H 9 8.407 8.407 8.324 0.083 19300 2133 1 15 . 1 1 10 10 SER N N 10 116.524 116.524 115.118 1.406 19300 2134 1 15 . 1 1 10 10 SER HA H 10 4.384 4.384 4.444 -0.060 19300 2135 1 15 . 1 1 10 10 SER CA C 10 59.172 59.172 58.029 1.143 19300 2136 1 15 . 1 1 10 10 SER CB C 10 63.793 63.793 64.757 -0.964 19300 2137 1 15 . 1 1 10 10 SER H H 10 8.180 8.180 8.207 -0.027 19300 2138 1 15 . 1 1 11 11 ALA N N 11 124.635 124.635 123.453 1.182 19300 2139 1 15 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.288 0.171 19300 2140 1 15 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.976 -1.311 19300 2141 1 15 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.705 -0.519 19300 2142 1 15 . 1 1 11 11 ALA H H 11 8.648 8.648 8.501 0.147 19300 2143 1 15 . 1 1 12 12 GLY N N 12 106.219 106.219 104.936 1.283 19300 2144 1 15 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.200 0.131 19300 2145 1 15 . 1 1 12 12 GLY H H 12 8.060 8.060 8.430 -0.370 19300 2146 1 15 . 1 1 13 13 GLN N N 13 121.578 121.578 120.012 1.566 19300 2147 1 15 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.704 -0.393 19300 2148 1 15 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.156 0.998 19300 2149 1 15 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.448 -2.769 19300 2150 1 15 . 1 1 13 13 GLN H H 13 8.394 8.394 7.350 1.044 19300 2151 1 15 . 1 1 14 14 THR N N 14 115.982 115.982 113.391 2.591 19300 2152 1 15 . 1 1 14 14 THR HA H 14 4.359 4.359 4.652 -0.293 19300 2153 1 15 . 1 1 14 14 THR CA C 14 61.622 61.622 61.110 0.512 19300 2154 1 15 . 1 1 14 14 THR CB C 14 70.762 70.762 71.635 -0.873 19300 2155 1 15 . 1 1 14 14 THR H H 14 8.310 8.310 8.297 0.013 19300 2156 1 15 . 1 1 15 15 CYS N N 15 123.244 123.244 119.903 3.341 19300 2157 1 15 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.863 0.195 19300 2158 1 15 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.623 -3.748 19300 2159 1 15 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.073 12.140 19300 2160 1 15 . 1 1 15 15 CYS H H 15 8.996 8.996 8.483 0.513 19300 2161 1 15 . 1 1 16 16 CYS N N 16 121.708 121.708 122.802 -1.094 19300 2162 1 15 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.338 0.216 19300 2163 1 15 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.170 -6.360 19300 2164 1 15 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.027 11.641 19300 2165 1 15 . 1 1 16 16 CYS H H 16 9.380 9.380 8.954 0.426 19300 2166 1 15 . 1 1 17 17 LYS N N 17 117.934 117.934 121.463 -3.529 19300 2167 1 15 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.153 -0.172 19300 2168 1 15 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.740 0.594 19300 2169 1 15 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.065 -0.550 19300 2170 1 15 . 1 1 17 17 LYS H H 17 7.931 7.931 8.719 -0.788 19300 2171 1 15 . 1 1 18 18 HIS N N 18 112.381 112.381 114.272 -1.891 19300 2172 1 15 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.398 -0.018 19300 2173 1 15 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.542 -3.093 19300 2174 1 15 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.542 -2.707 19300 2175 1 15 . 1 1 18 18 HIS H H 18 8.601 8.601 8.836 -0.235 19300 2176 1 15 . 1 1 19 19 LEU N N 19 119.252 119.252 116.824 2.428 19300 2177 1 15 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.465 -0.166 19300 2178 1 15 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.633 0.390 19300 2179 1 15 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.802 -1.447 19300 2180 1 15 . 1 1 19 19 LEU H H 19 8.094 8.094 7.457 0.637 19300 2181 1 15 . 1 1 20 20 VAL N N 20 116.729 116.729 113.179 3.550 19300 2182 1 15 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.497 0.011 19300 2183 1 15 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.690 -0.429 19300 2184 1 15 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.654 0.249 19300 2185 1 15 . 1 1 20 20 VAL H H 20 9.548 9.548 8.776 0.772 19300 2186 1 15 . 1 1 21 21 CYS N N 21 123.437 123.437 125.731 -2.294 19300 2187 1 15 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.502 0.101 19300 2188 1 15 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.662 -3.261 19300 2189 1 15 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.062 14.298 19300 2190 1 15 . 1 1 21 21 CYS H H 21 8.936 8.936 8.869 0.067 19300 2191 1 15 . 1 1 22 22 SER N N 22 124.898 124.898 122.702 2.196 19300 2192 1 15 . 1 1 22 22 SER HA H 22 4.458 4.458 4.353 0.105 19300 2193 1 15 . 1 1 22 22 SER CA C 22 57.364 57.364 57.799 -0.435 19300 2194 1 15 . 1 1 22 22 SER CB C 22 63.430 63.430 63.186 0.244 19300 2195 1 15 . 1 1 22 22 SER H H 22 8.349 8.349 8.104 0.245 19300 2196 1 15 . 1 1 23 23 ARG N N 23 132.391 132.391 127.718 4.673 19300 2197 1 15 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.060 -0.058 19300 2198 1 15 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.488 0.043 19300 2199 1 15 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.966 -0.365 19300 2200 1 15 . 1 1 23 23 ARG H H 23 9.009 9.009 8.230 0.779 19300 2201 1 15 . 1 1 24 24 ARG N N 24 117.241 117.241 117.620 -0.379 19300 2202 1 15 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.213 -0.289 19300 2203 1 15 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.134 0.614 19300 2204 1 15 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.050 0.356 19300 2205 1 15 . 1 1 24 24 ARG H H 24 7.945 7.945 8.033 -0.088 19300 2206 1 15 . 1 1 25 25 HIS N N 25 111.143 111.143 115.584 -4.441 19300 2207 1 15 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.942 0.287 19300 2208 1 15 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.962 -2.011 19300 2209 1 15 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.103 -2.124 19300 2210 1 15 . 1 1 25 25 HIS H H 25 7.326 7.326 7.459 -0.133 19300 2211 1 15 . 1 1 26 26 GLY N N 26 106.585 106.585 106.011 0.574 19300 2212 1 15 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.874 1.718 19300 2213 1 15 . 1 1 26 26 GLY H H 26 8.257 8.257 8.233 0.024 19300 2214 1 15 . 1 1 27 27 TRP N N 27 114.076 114.076 117.022 -2.946 19300 2215 1 15 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.024 0.561 19300 2216 1 15 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.675 0.123 19300 2217 1 15 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.734 1.082 19300 2218 1 15 . 1 1 27 27 TRP H H 27 6.816 6.816 7.054 -0.238 19300 2219 1 15 . 1 1 28 28 CYS N N 28 120.417 120.417 121.991 -1.574 19300 2220 1 15 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.007 0.021 19300 2221 1 15 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.501 -4.354 19300 2222 1 15 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.243 16.343 19300 2223 1 15 . 1 1 28 28 CYS H H 28 8.856 8.856 9.165 -0.309 19300 2224 1 15 . 1 1 29 29 VAL N N 29 117.638 117.638 118.426 -0.788 19300 2225 1 15 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.873 0.055 19300 2226 1 15 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.811 0.536 19300 2227 1 15 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.497 1.030 19300 2228 1 15 . 1 1 29 29 VAL H H 29 9.648 9.648 8.955 0.693 19300 2229 1 15 . 1 1 30 30 TRP N N 30 120.857 120.857 121.986 -1.129 19300 2230 1 15 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.704 0.190 19300 2231 1 15 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.761 1.432 19300 2232 1 15 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.376 0.504 19300 2233 1 15 . 1 1 30 30 TRP H H 30 7.875 7.875 8.732 -0.857 19300 2234 1 15 . 1 1 31 31 ASP N N 31 122.575 122.575 125.128 -2.553 19300 2235 1 15 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.746 -0.222 19300 2236 1 15 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.572 -1.417 19300 2237 1 15 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.178 -0.646 19300 2238 1 15 . 1 1 31 31 ASP H H 31 8.813 8.813 8.366 0.447 19300 2239 1 15 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.900 -0.168 19300 2240 1 15 . 1 1 32 32 GLY H H 32 8.070 8.070 9.012 -0.942 19300 2241 1 15 . 1 1 33 33 THR N N 33 113.474 113.474 115.217 -1.743 19300 2242 1 15 . 1 1 33 33 THR HA H 33 4.311 4.311 4.427 -0.116 19300 2243 1 15 . 1 1 33 33 THR CA C 33 62.204 62.204 61.994 0.210 19300 2244 1 15 . 1 1 33 33 THR CB C 33 70.173 70.173 69.906 0.266 19300 2245 1 15 . 1 1 33 33 THR H H 33 8.040 8.040 7.914 0.126 19300 2246 1 15 . 1 1 34 34 PHE N N 34 121.941 121.941 122.842 -0.901 19300 2247 1 15 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.610 -0.040 19300 2248 1 15 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.881 0.021 19300 2249 1 15 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.267 0.407 19300 2250 1 15 . 1 1 34 34 PHE H H 34 8.282 8.282 8.335 -0.053 19300 2251 1 16 . 1 1 2 2 CYS N N 2 120.737 120.737 119.044 1.693 19300 2252 1 16 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.570 0.254 19300 2253 1 16 . 1 1 2 2 CYS H H 2 8.701 8.701 8.265 0.436 19300 2254 1 16 . 1 1 3 3 ARG N N 3 120.701 120.701 122.545 -1.844 19300 2255 1 16 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300 2256 1 16 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.180 2.974 19300 2257 1 16 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.354 -0.629 19300 2258 1 16 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300 2259 1 16 . 1 1 4 4 TYR N N 4 122.006 122.006 119.755 2.251 19300 2260 1 16 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.682 -0.392 19300 2261 1 16 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.307 1.029 19300 2262 1 16 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.063 0.034 19300 2263 1 16 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300 2264 1 16 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.179 -0.565 19300 2265 1 16 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.323 1.163 19300 2266 1 16 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.951 -0.291 19300 2267 1 16 . 1 1 6 6 LEU N N 6 121.148 121.148 120.779 0.369 19300 2268 1 16 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.040 -0.080 19300 2269 1 16 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.740 2.279 19300 2270 1 16 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.063 -0.812 19300 2271 1 16 . 1 1 6 6 LEU H H 6 8.701 8.701 8.596 0.105 19300 2272 1 16 . 1 1 7 7 GLY N N 7 110.200 110.200 106.568 3.632 19300 2273 1 16 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.357 -0.547 19300 2274 1 16 . 1 1 7 7 GLY H H 7 8.947 8.947 8.031 0.916 19300 2275 1 16 . 1 1 8 8 GLY N N 8 110.973 110.973 105.921 5.052 19300 2276 1 16 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.363 2.239 19300 2277 1 16 . 1 1 8 8 GLY H H 8 8.699 8.699 7.817 0.882 19300 2278 1 16 . 1 1 9 9 CYS N N 9 117.019 117.019 118.176 -1.157 19300 2279 1 16 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.626 0.586 19300 2280 1 16 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.318 -2.138 19300 2281 1 16 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.917 15.002 19300 2282 1 16 . 1 1 9 9 CYS H H 9 8.407 8.407 8.152 0.256 19300 2283 1 16 . 1 1 10 10 SER N N 10 116.524 116.524 115.045 1.479 19300 2284 1 16 . 1 1 10 10 SER HA H 10 4.384 4.384 4.444 -0.060 19300 2285 1 16 . 1 1 10 10 SER CA C 10 59.172 59.172 58.295 0.877 19300 2286 1 16 . 1 1 10 10 SER CB C 10 63.793 63.793 64.532 -0.739 19300 2287 1 16 . 1 1 10 10 SER H H 10 8.180 8.180 8.176 0.004 19300 2288 1 16 . 1 1 11 11 ALA N N 11 124.635 124.635 123.466 1.169 19300 2289 1 16 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.296 0.163 19300 2290 1 16 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.915 -1.250 19300 2291 1 16 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.638 -0.452 19300 2292 1 16 . 1 1 11 11 ALA H H 11 8.648 8.648 8.474 0.174 19300 2293 1 16 . 1 1 12 12 GLY N N 12 106.219 106.219 104.896 1.323 19300 2294 1 16 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.205 0.127 19300 2295 1 16 . 1 1 12 12 GLY H H 12 8.060 8.060 8.424 -0.364 19300 2296 1 16 . 1 1 13 13 GLN N N 13 121.578 121.578 120.021 1.557 19300 2297 1 16 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.707 -0.396 19300 2298 1 16 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.163 0.991 19300 2299 1 16 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.447 -2.768 19300 2300 1 16 . 1 1 13 13 GLN H H 13 8.394 8.394 7.408 0.986 19300 2301 1 16 . 1 1 14 14 THR N N 14 115.982 115.982 113.393 2.589 19300 2302 1 16 . 1 1 14 14 THR HA H 14 4.359 4.359 4.653 -0.294 19300 2303 1 16 . 1 1 14 14 THR CA C 14 61.622 61.622 61.099 0.523 19300 2304 1 16 . 1 1 14 14 THR CB C 14 70.762 70.762 71.644 -0.882 19300 2305 1 16 . 1 1 14 14 THR H H 14 8.310 8.310 8.301 0.009 19300 2306 1 16 . 1 1 15 15 CYS N N 15 123.244 123.244 119.883 3.361 19300 2307 1 16 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.857 0.201 19300 2308 1 16 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.599 -3.724 19300 2309 1 16 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.087 12.126 19300 2310 1 16 . 1 1 15 15 CYS H H 15 8.996 8.996 8.479 0.517 19300 2311 1 16 . 1 1 16 16 CYS N N 16 121.708 121.708 122.758 -1.050 19300 2312 1 16 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.345 0.209 19300 2313 1 16 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.023 -6.213 19300 2314 1 16 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.035 11.633 19300 2315 1 16 . 1 1 16 16 CYS H H 16 9.380 9.380 8.953 0.427 19300 2316 1 16 . 1 1 17 17 LYS N N 17 117.934 117.934 121.527 -3.593 19300 2317 1 16 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.139 -0.158 19300 2318 1 16 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.811 0.523 19300 2319 1 16 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.107 -0.592 19300 2320 1 16 . 1 1 17 17 LYS H H 17 7.931 7.931 8.702 -0.771 19300 2321 1 16 . 1 1 18 18 HIS N N 18 112.381 112.381 114.567 -2.186 19300 2322 1 16 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.376 0.004 19300 2323 1 16 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.407 -2.958 19300 2324 1 16 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.442 -2.607 19300 2325 1 16 . 1 1 18 18 HIS H H 18 8.601 8.601 8.837 -0.236 19300 2326 1 16 . 1 1 19 19 LEU N N 19 119.252 119.252 116.825 2.427 19300 2327 1 16 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.462 -0.163 19300 2328 1 16 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.575 0.448 19300 2329 1 16 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.815 -1.460 19300 2330 1 16 . 1 1 19 19 LEU H H 19 8.094 8.094 7.440 0.654 19300 2331 1 16 . 1 1 20 20 VAL N N 20 116.729 116.729 113.645 3.084 19300 2332 1 16 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.444 0.064 19300 2333 1 16 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.694 -0.432 19300 2334 1 16 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.296 0.607 19300 2335 1 16 . 1 1 20 20 VAL H H 20 9.548 9.548 8.713 0.835 19300 2336 1 16 . 1 1 21 21 CYS N N 21 123.437 123.437 126.076 -2.639 19300 2337 1 16 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.495 0.108 19300 2338 1 16 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.709 -3.308 19300 2339 1 16 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.135 14.225 19300 2340 1 16 . 1 1 21 21 CYS H H 21 8.936 8.936 8.814 0.122 19300 2341 1 16 . 1 1 22 22 SER N N 22 124.898 124.898 122.864 2.034 19300 2342 1 16 . 1 1 22 22 SER HA H 22 4.458 4.458 4.455 0.003 19300 2343 1 16 . 1 1 22 22 SER CA C 22 57.364 57.364 57.833 -0.469 19300 2344 1 16 . 1 1 22 22 SER CB C 22 63.430 63.430 63.097 0.333 19300 2345 1 16 . 1 1 22 22 SER H H 22 8.349 8.349 8.086 0.263 19300 2346 1 16 . 1 1 23 23 ARG N N 23 132.391 132.391 127.307 5.084 19300 2347 1 16 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.106 -0.104 19300 2348 1 16 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.457 0.074 19300 2349 1 16 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.016 -0.415 19300 2350 1 16 . 1 1 23 23 ARG H H 23 9.009 9.009 8.362 0.647 19300 2351 1 16 . 1 1 24 24 ARG N N 24 117.241 117.241 117.102 0.139 19300 2352 1 16 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.184 -0.260 19300 2353 1 16 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.704 0.044 19300 2354 1 16 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.194 0.212 19300 2355 1 16 . 1 1 24 24 ARG H H 24 7.945 7.945 8.049 -0.104 19300 2356 1 16 . 1 1 25 25 HIS N N 25 111.143 111.143 115.216 -4.073 19300 2357 1 16 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.059 0.170 19300 2358 1 16 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.692 -1.741 19300 2359 1 16 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.973 -1.994 19300 2360 1 16 . 1 1 25 25 HIS H H 25 7.326 7.326 7.457 -0.131 19300 2361 1 16 . 1 1 26 26 GLY N N 26 106.585 106.585 106.316 0.269 19300 2362 1 16 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.905 1.687 19300 2363 1 16 . 1 1 26 26 GLY H H 26 8.257 8.257 8.229 0.028 19300 2364 1 16 . 1 1 27 27 TRP N N 27 114.076 114.076 117.047 -2.971 19300 2365 1 16 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.030 0.555 19300 2366 1 16 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.679 0.119 19300 2367 1 16 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.732 1.084 19300 2368 1 16 . 1 1 27 27 TRP H H 27 6.816 6.816 7.079 -0.263 19300 2369 1 16 . 1 1 28 28 CYS N N 28 120.417 120.417 122.012 -1.595 19300 2370 1 16 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.004 0.024 19300 2371 1 16 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.475 -4.328 19300 2372 1 16 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.225 16.361 19300 2373 1 16 . 1 1 28 28 CYS H H 28 8.856 8.856 9.164 -0.308 19300 2374 1 16 . 1 1 29 29 VAL N N 29 117.638 117.638 119.581 -1.943 19300 2375 1 16 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.790 0.138 19300 2376 1 16 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.292 1.055 19300 2377 1 16 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.011 1.516 19300 2378 1 16 . 1 1 29 29 VAL H H 29 9.648 9.648 9.043 0.605 19300 2379 1 16 . 1 1 30 30 TRP N N 30 120.857 120.857 121.695 -0.838 19300 2380 1 16 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.664 0.230 19300 2381 1 16 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.877 1.316 19300 2382 1 16 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.764 0.116 19300 2383 1 16 . 1 1 30 30 TRP H H 30 7.875 7.875 8.671 -0.796 19300 2384 1 16 . 1 1 31 31 ASP N N 31 122.575 122.575 124.382 -1.807 19300 2385 1 16 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.683 -0.159 19300 2386 1 16 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.453 -0.298 19300 2387 1 16 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.229 -0.697 19300 2388 1 16 . 1 1 31 31 ASP H H 31 8.813 8.813 8.377 0.435 19300 2389 1 16 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.763 -0.031 19300 2390 1 16 . 1 1 32 32 GLY H H 32 8.070 8.070 9.201 -1.131 19300 2391 1 16 . 1 1 33 33 THR N N 33 113.474 113.474 116.003 -2.529 19300 2392 1 16 . 1 1 33 33 THR HA H 33 4.311 4.311 4.526 -0.215 19300 2393 1 16 . 1 1 33 33 THR CA C 33 62.204 62.204 61.439 0.765 19300 2394 1 16 . 1 1 33 33 THR CB C 33 70.173 70.173 69.639 0.534 19300 2395 1 16 . 1 1 33 33 THR H H 33 8.040 8.040 7.933 0.107 19300 2396 1 16 . 1 1 34 34 PHE N N 34 121.941 121.941 121.220 0.721 19300 2397 1 16 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.558 0.012 19300 2398 1 16 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.340 -0.438 19300 2399 1 16 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.257 0.417 19300 2400 1 16 . 1 1 34 34 PHE H H 34 8.282 8.282 8.275 0.007 19300 2401 1 17 . 1 1 2 2 CYS N N 2 120.737 120.737 119.083 1.654 19300 2402 1 17 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.618 0.206 19300 2403 1 17 . 1 1 2 2 CYS H H 2 8.701 8.701 8.331 0.370 19300 2404 1 17 . 1 1 3 3 ARG N N 3 120.701 120.701 122.537 -1.836 19300 2405 1 17 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300 2406 1 17 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.178 2.975 19300 2407 1 17 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.363 -0.638 19300 2408 1 17 . 1 1 3 3 ARG H H 3 8.970 8.970 8.298 0.672 19300 2409 1 17 . 1 1 4 4 TYR N N 4 122.006 122.006 119.783 2.223 19300 2410 1 17 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.683 -0.393 19300 2411 1 17 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.309 1.027 19300 2412 1 17 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.061 0.036 19300 2413 1 17 . 1 1 4 4 TYR H H 4 8.190 8.190 8.001 0.189 19300 2414 1 17 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.181 -0.567 19300 2415 1 17 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.326 1.160 19300 2416 1 17 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.951 -0.291 19300 2417 1 17 . 1 1 6 6 LEU N N 6 121.148 121.148 120.764 0.384 19300 2418 1 17 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.039 -0.079 19300 2419 1 17 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.742 2.277 19300 2420 1 17 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.059 -0.808 19300 2421 1 17 . 1 1 6 6 LEU H H 6 8.701 8.701 8.593 0.108 19300 2422 1 17 . 1 1 7 7 GLY N N 7 110.200 110.200 107.176 3.024 19300 2423 1 17 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.278 -0.468 19300 2424 1 17 . 1 1 7 7 GLY H H 7 8.947 8.947 7.940 1.007 19300 2425 1 17 . 1 1 8 8 GLY N N 8 110.973 110.973 107.166 3.807 19300 2426 1 17 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.406 2.196 19300 2427 1 17 . 1 1 8 8 GLY H H 8 8.699 8.699 8.093 0.606 19300 2428 1 17 . 1 1 9 9 CYS N N 9 117.019 117.019 118.293 -1.274 19300 2429 1 17 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.666 0.546 19300 2430 1 17 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.089 -1.909 19300 2431 1 17 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.600 16.319 19300 2432 1 17 . 1 1 9 9 CYS H H 9 8.407 8.407 8.185 0.222 19300 2433 1 17 . 1 1 10 10 SER N N 10 116.524 116.524 115.093 1.431 19300 2434 1 17 . 1 1 10 10 SER HA H 10 4.384 4.384 4.452 -0.068 19300 2435 1 17 . 1 1 10 10 SER CA C 10 59.172 59.172 58.255 0.917 19300 2436 1 17 . 1 1 10 10 SER CB C 10 63.793 63.793 64.676 -0.883 19300 2437 1 17 . 1 1 10 10 SER H H 10 8.180 8.180 8.195 -0.015 19300 2438 1 17 . 1 1 11 11 ALA N N 11 124.635 124.635 123.384 1.251 19300 2439 1 17 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.295 0.164 19300 2440 1 17 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.962 -1.297 19300 2441 1 17 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.678 -0.492 19300 2442 1 17 . 1 1 11 11 ALA H H 11 8.648 8.648 8.489 0.159 19300 2443 1 17 . 1 1 12 12 GLY N N 12 106.219 106.219 105.526 0.693 19300 2444 1 17 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.015 0.316 19300 2445 1 17 . 1 1 12 12 GLY H H 12 8.060 8.060 8.109 -0.049 19300 2446 1 17 . 1 1 13 13 GLN N N 13 121.578 121.578 119.603 1.975 19300 2447 1 17 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.617 -0.306 19300 2448 1 17 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.020 1.134 19300 2449 1 17 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.341 -2.662 19300 2450 1 17 . 1 1 13 13 GLN H H 13 8.394 8.394 7.428 0.966 19300 2451 1 17 . 1 1 14 14 THR N N 14 115.982 115.982 113.402 2.580 19300 2452 1 17 . 1 1 14 14 THR HA H 14 4.359 4.359 4.593 -0.234 19300 2453 1 17 . 1 1 14 14 THR CA C 14 61.622 61.622 61.069 0.553 19300 2454 1 17 . 1 1 14 14 THR CB C 14 70.762 70.762 71.696 -0.934 19300 2455 1 17 . 1 1 14 14 THR H H 14 8.310 8.310 8.269 0.041 19300 2456 1 17 . 1 1 15 15 CYS N N 15 123.244 123.244 120.129 3.115 19300 2457 1 17 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.879 0.179 19300 2458 1 17 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.374 -3.499 19300 2459 1 17 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.464 12.749 19300 2460 1 17 . 1 1 15 15 CYS H H 15 8.996 8.996 8.478 0.518 19300 2461 1 17 . 1 1 16 16 CYS N N 16 121.708 121.708 122.810 -1.102 19300 2462 1 17 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.357 0.197 19300 2463 1 17 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.806 -5.996 19300 2464 1 17 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.067 11.601 19300 2465 1 17 . 1 1 16 16 CYS H H 16 9.380 9.380 8.942 0.438 19300 2466 1 17 . 1 1 17 17 LYS N N 17 117.934 117.934 121.496 -3.562 19300 2467 1 17 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.129 -0.148 19300 2468 1 17 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.894 0.440 19300 2469 1 17 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.128 -0.613 19300 2470 1 17 . 1 1 17 17 LYS H H 17 7.931 7.931 8.700 -0.769 19300 2471 1 17 . 1 1 18 18 HIS N N 18 112.381 112.381 114.557 -2.176 19300 2472 1 17 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.378 0.002 19300 2473 1 17 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.284 -2.835 19300 2474 1 17 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.649 -2.814 19300 2475 1 17 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300 2476 1 17 . 1 1 19 19 LEU N N 19 119.252 119.252 116.693 2.559 19300 2477 1 17 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.460 -0.161 19300 2478 1 17 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.584 0.439 19300 2479 1 17 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.927 -1.572 19300 2480 1 17 . 1 1 19 19 LEU H H 19 8.094 8.094 7.435 0.659 19300 2481 1 17 . 1 1 20 20 VAL N N 20 116.729 116.729 112.686 4.043 19300 2482 1 17 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.464 0.044 19300 2483 1 17 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.884 -0.623 19300 2484 1 17 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.656 0.247 19300 2485 1 17 . 1 1 20 20 VAL H H 20 9.548 9.548 8.616 0.932 19300 2486 1 17 . 1 1 21 21 CYS N N 21 123.437 123.437 126.071 -2.634 19300 2487 1 17 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.498 0.105 19300 2488 1 17 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.685 -3.284 19300 2489 1 17 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.131 14.229 19300 2490 1 17 . 1 1 21 21 CYS H H 21 8.936 8.936 8.827 0.109 19300 2491 1 17 . 1 1 22 22 SER N N 22 124.898 124.898 124.179 0.719 19300 2492 1 17 . 1 1 22 22 SER HA H 22 4.458 4.458 4.474 -0.016 19300 2493 1 17 . 1 1 22 22 SER CA C 22 57.364 57.364 57.500 -0.136 19300 2494 1 17 . 1 1 22 22 SER CB C 22 63.430 63.430 63.179 0.251 19300 2495 1 17 . 1 1 22 22 SER H H 22 8.349 8.349 8.132 0.217 19300 2496 1 17 . 1 1 23 23 ARG N N 23 132.391 132.391 127.305 5.086 19300 2497 1 17 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.093 -0.091 19300 2498 1 17 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.566 -0.035 19300 2499 1 17 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.072 -0.471 19300 2500 1 17 . 1 1 23 23 ARG H H 23 9.009 9.009 8.368 0.641 19300 2501 1 17 . 1 1 24 24 ARG N N 24 117.241 117.241 116.816 0.425 19300 2502 1 17 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.182 -0.258 19300 2503 1 17 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.669 0.079 19300 2504 1 17 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.254 0.152 19300 2505 1 17 . 1 1 24 24 ARG H H 24 7.945 7.945 8.033 -0.088 19300 2506 1 17 . 1 1 25 25 HIS N N 25 111.143 111.143 115.231 -4.088 19300 2507 1 17 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.062 0.167 19300 2508 1 17 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.761 -1.810 19300 2509 1 17 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.963 -1.984 19300 2510 1 17 . 1 1 25 25 HIS H H 25 7.326 7.326 7.470 -0.144 19300 2511 1 17 . 1 1 26 26 GLY N N 26 106.585 106.585 106.339 0.246 19300 2512 1 17 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.908 1.684 19300 2513 1 17 . 1 1 26 26 GLY H H 26 8.257 8.257 8.236 0.021 19300 2514 1 17 . 1 1 27 27 TRP N N 27 114.076 114.076 117.064 -2.988 19300 2515 1 17 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.027 0.558 19300 2516 1 17 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.679 0.119 19300 2517 1 17 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.730 1.086 19300 2518 1 17 . 1 1 27 27 TRP H H 27 6.816 6.816 7.078 -0.262 19300 2519 1 17 . 1 1 28 28 CYS N N 28 120.417 120.417 122.038 -1.621 19300 2520 1 17 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.004 0.024 19300 2521 1 17 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.488 -4.341 19300 2522 1 17 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.244 16.342 19300 2523 1 17 . 1 1 28 28 CYS H H 28 8.856 8.856 9.163 -0.307 19300 2524 1 17 . 1 1 29 29 VAL N N 29 117.638 117.638 119.614 -1.976 19300 2525 1 17 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.790 0.138 19300 2526 1 17 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.246 1.101 19300 2527 1 17 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.021 1.506 19300 2528 1 17 . 1 1 29 29 VAL H H 29 9.648 9.648 9.049 0.599 19300 2529 1 17 . 1 1 30 30 TRP N N 30 120.857 120.857 121.549 -0.692 19300 2530 1 17 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.655 0.239 19300 2531 1 17 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.917 1.276 19300 2532 1 17 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.758 0.122 19300 2533 1 17 . 1 1 30 30 TRP H H 30 7.875 7.875 8.680 -0.805 19300 2534 1 17 . 1 1 31 31 ASP N N 31 122.575 122.575 124.128 -1.553 19300 2535 1 17 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.684 -0.160 19300 2536 1 17 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.316 -0.161 19300 2537 1 17 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.264 -0.732 19300 2538 1 17 . 1 1 31 31 ASP H H 31 8.813 8.813 8.375 0.438 19300 2539 1 17 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.890 -0.158 19300 2540 1 17 . 1 1 32 32 GLY H H 32 8.070 8.070 9.222 -1.152 19300 2541 1 17 . 1 1 33 33 THR N N 33 113.474 113.474 116.818 -3.344 19300 2542 1 17 . 1 1 33 33 THR HA H 33 4.311 4.311 4.586 -0.275 19300 2543 1 17 . 1 1 33 33 THR CA C 33 62.204 62.204 62.371 -0.168 19300 2544 1 17 . 1 1 33 33 THR CB C 33 70.173 70.173 69.980 0.193 19300 2545 1 17 . 1 1 33 33 THR H H 33 8.040 8.040 7.819 0.221 19300 2546 1 17 . 1 1 34 34 PHE N N 34 121.941 121.941 121.583 0.358 19300 2547 1 17 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.595 -0.025 19300 2548 1 17 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.206 0.696 19300 2549 1 17 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.233 0.441 19300 2550 1 17 . 1 1 34 34 PHE H H 34 8.282 8.282 8.073 0.209 19300 2551 1 18 . 1 1 2 2 CYS N N 2 120.737 120.737 119.198 1.539 19300 2552 1 18 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.637 0.187 19300 2553 1 18 . 1 1 2 2 CYS H H 2 8.701 8.701 8.256 0.445 19300 2554 1 18 . 1 1 3 3 ARG N N 3 120.701 120.701 122.558 -1.857 19300 2555 1 18 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300 2556 1 18 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.187 2.967 19300 2557 1 18 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.355 -0.630 19300 2558 1 18 . 1 1 3 3 ARG H H 3 8.970 8.970 8.299 0.671 19300 2559 1 18 . 1 1 4 4 TYR N N 4 122.006 122.006 119.715 2.291 19300 2560 1 18 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.686 -0.396 19300 2561 1 18 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.278 1.058 19300 2562 1 18 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.079 0.018 19300 2563 1 18 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300 2564 1 18 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300 2565 1 18 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.314 1.172 19300 2566 1 18 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.949 -0.289 19300 2567 1 18 . 1 1 6 6 LEU N N 6 121.148 121.148 120.771 0.377 19300 2568 1 18 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.037 -0.077 19300 2569 1 18 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.741 2.278 19300 2570 1 18 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.061 -0.810 19300 2571 1 18 . 1 1 6 6 LEU H H 6 8.701 8.701 8.590 0.111 19300 2572 1 18 . 1 1 7 7 GLY N N 7 110.200 110.200 107.045 3.155 19300 2573 1 18 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.273 -0.463 19300 2574 1 18 . 1 1 7 7 GLY H H 7 8.947 8.947 7.938 1.009 19300 2575 1 18 . 1 1 8 8 GLY N N 8 110.973 110.973 107.256 3.717 19300 2576 1 18 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.409 2.193 19300 2577 1 18 . 1 1 8 8 GLY H H 8 8.699 8.699 8.078 0.621 19300 2578 1 18 . 1 1 9 9 CYS N N 9 117.019 117.019 118.454 -1.435 19300 2579 1 18 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.677 0.535 19300 2580 1 18 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.941 -1.761 19300 2581 1 18 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.686 16.233 19300 2582 1 18 . 1 1 9 9 CYS H H 9 8.407 8.407 8.178 0.229 19300 2583 1 18 . 1 1 10 10 SER N N 10 116.524 116.524 115.028 1.496 19300 2584 1 18 . 1 1 10 10 SER HA H 10 4.384 4.384 4.443 -0.059 19300 2585 1 18 . 1 1 10 10 SER CA C 10 59.172 59.172 58.365 0.806 19300 2586 1 18 . 1 1 10 10 SER CB C 10 63.793 63.793 64.506 -0.713 19300 2587 1 18 . 1 1 10 10 SER H H 10 8.180 8.180 8.159 0.021 19300 2588 1 18 . 1 1 11 11 ALA N N 11 124.635 124.635 123.459 1.176 19300 2589 1 18 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.295 0.164 19300 2590 1 18 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.911 -1.246 19300 2591 1 18 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.626 -0.440 19300 2592 1 18 . 1 1 11 11 ALA H H 11 8.648 8.648 8.467 0.181 19300 2593 1 18 . 1 1 12 12 GLY N N 12 106.219 106.219 105.430 0.789 19300 2594 1 18 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.014 0.317 19300 2595 1 18 . 1 1 12 12 GLY H H 12 8.060 8.060 8.123 -0.063 19300 2596 1 18 . 1 1 13 13 GLN N N 13 121.578 121.578 119.884 1.694 19300 2597 1 18 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.630 -0.319 19300 2598 1 18 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.155 0.999 19300 2599 1 18 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.245 -2.566 19300 2600 1 18 . 1 1 13 13 GLN H H 13 8.394 8.394 7.368 1.026 19300 2601 1 18 . 1 1 14 14 THR N N 14 115.982 115.982 113.418 2.564 19300 2602 1 18 . 1 1 14 14 THR HA H 14 4.359 4.359 4.653 -0.294 19300 2603 1 18 . 1 1 14 14 THR CA C 14 61.622 61.622 61.113 0.509 19300 2604 1 18 . 1 1 14 14 THR CB C 14 70.762 70.762 71.650 -0.888 19300 2605 1 18 . 1 1 14 14 THR H H 14 8.310 8.310 8.303 0.007 19300 2606 1 18 . 1 1 15 15 CYS N N 15 123.244 123.244 119.923 3.321 19300 2607 1 18 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.861 0.197 19300 2608 1 18 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.613 -3.738 19300 2609 1 18 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.059 12.154 19300 2610 1 18 . 1 1 15 15 CYS H H 15 8.996 8.996 8.482 0.514 19300 2611 1 18 . 1 1 16 16 CYS N N 16 121.708 121.708 122.840 -1.132 19300 2612 1 18 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.326 0.228 19300 2613 1 18 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.277 -6.467 19300 2614 1 18 . 1 1 16 16 CYS CB C 16 39.668 39.668 27.982 11.686 19300 2615 1 18 . 1 1 16 16 CYS H H 16 9.380 9.380 8.954 0.426 19300 2616 1 18 . 1 1 17 17 LYS N N 17 117.934 117.934 121.386 -3.452 19300 2617 1 18 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.154 -0.173 19300 2618 1 18 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.556 0.778 19300 2619 1 18 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.985 -0.470 19300 2620 1 18 . 1 1 17 17 LYS H H 17 7.931 7.931 8.713 -0.782 19300 2621 1 18 . 1 1 18 18 HIS N N 18 112.381 112.381 114.474 -2.093 19300 2622 1 18 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.367 0.013 19300 2623 1 18 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.458 -3.009 19300 2624 1 18 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.402 -2.567 19300 2625 1 18 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300 2626 1 18 . 1 1 19 19 LEU N N 19 119.252 119.252 116.765 2.487 19300 2627 1 18 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.467 -0.168 19300 2628 1 18 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.587 0.436 19300 2629 1 18 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.879 -1.524 19300 2630 1 18 . 1 1 19 19 LEU H H 19 8.094 8.094 7.439 0.655 19300 2631 1 18 . 1 1 20 20 VAL N N 20 116.729 116.729 112.885 3.844 19300 2632 1 18 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.473 0.035 19300 2633 1 18 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.791 -0.530 19300 2634 1 18 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.645 0.258 19300 2635 1 18 . 1 1 20 20 VAL H H 20 9.548 9.548 8.627 0.921 19300 2636 1 18 . 1 1 21 21 CYS N N 21 123.437 123.437 125.983 -2.546 19300 2637 1 18 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.479 0.124 19300 2638 1 18 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.625 -3.224 19300 2639 1 18 . 1 1 21 21 CYS CB C 21 39.360 39.360 24.972 14.388 19300 2640 1 18 . 1 1 21 21 CYS H H 21 8.936 8.936 8.924 0.012 19300 2641 1 18 . 1 1 22 22 SER N N 22 124.898 124.898 122.707 2.191 19300 2642 1 18 . 1 1 22 22 SER HA H 22 4.458 4.458 4.438 0.020 19300 2643 1 18 . 1 1 22 22 SER CA C 22 57.364 57.364 57.950 -0.586 19300 2644 1 18 . 1 1 22 22 SER CB C 22 63.430 63.430 63.304 0.126 19300 2645 1 18 . 1 1 22 22 SER H H 22 8.349 8.349 8.124 0.225 19300 2646 1 18 . 1 1 23 23 ARG N N 23 132.391 132.391 127.741 4.650 19300 2647 1 18 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.107 -0.105 19300 2648 1 18 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.477 0.053 19300 2649 1 18 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.086 -0.485 19300 2650 1 18 . 1 1 23 23 ARG H H 23 9.009 9.009 8.404 0.605 19300 2651 1 18 . 1 1 24 24 ARG N N 24 117.241 117.241 116.913 0.328 19300 2652 1 18 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.186 -0.262 19300 2653 1 18 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.664 0.084 19300 2654 1 18 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.265 0.141 19300 2655 1 18 . 1 1 24 24 ARG H H 24 7.945 7.945 8.043 -0.098 19300 2656 1 18 . 1 1 25 25 HIS N N 25 111.143 111.143 115.236 -4.093 19300 2657 1 18 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.069 0.160 19300 2658 1 18 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.737 -1.786 19300 2659 1 18 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.989 -2.010 19300 2660 1 18 . 1 1 25 25 HIS H H 25 7.326 7.326 7.464 -0.138 19300 2661 1 18 . 1 1 26 26 GLY N N 26 106.585 106.585 106.366 0.219 19300 2662 1 18 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.910 1.682 19300 2663 1 18 . 1 1 26 26 GLY H H 26 8.257 8.257 8.236 0.021 19300 2664 1 18 . 1 1 27 27 TRP N N 27 114.076 114.076 117.053 -2.977 19300 2665 1 18 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.027 0.558 19300 2666 1 18 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.677 0.121 19300 2667 1 18 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.727 1.089 19300 2668 1 18 . 1 1 27 27 TRP H H 27 6.816 6.816 7.078 -0.262 19300 2669 1 18 . 1 1 28 28 CYS N N 28 120.417 120.417 121.500 -1.083 19300 2670 1 18 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.948 0.080 19300 2671 1 18 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.068 -3.921 19300 2672 1 18 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.432 16.154 19300 2673 1 18 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300 2674 1 18 . 1 1 29 29 VAL N N 29 117.638 117.638 118.533 -0.895 19300 2675 1 18 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.869 0.059 19300 2676 1 18 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.090 0.257 19300 2677 1 18 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.794 0.733 19300 2678 1 18 . 1 1 29 29 VAL H H 29 9.648 9.648 9.016 0.632 19300 2679 1 18 . 1 1 30 30 TRP N N 30 120.857 120.857 121.850 -0.993 19300 2680 1 18 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.675 0.219 19300 2681 1 18 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.156 1.037 19300 2682 1 18 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.726 0.154 19300 2683 1 18 . 1 1 30 30 TRP H H 30 7.875 7.875 8.701 -0.826 19300 2684 1 18 . 1 1 31 31 ASP N N 31 122.575 122.575 124.401 -1.826 19300 2685 1 18 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.685 -0.161 19300 2686 1 18 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.439 -0.284 19300 2687 1 18 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.268 -0.736 19300 2688 1 18 . 1 1 31 31 ASP H H 31 8.813 8.813 8.395 0.418 19300 2689 1 18 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.007 -0.275 19300 2690 1 18 . 1 1 32 32 GLY H H 32 8.070 8.070 9.214 -1.144 19300 2691 1 18 . 1 1 33 33 THR N N 33 113.474 113.474 116.953 -3.479 19300 2692 1 18 . 1 1 33 33 THR HA H 33 4.311 4.311 4.571 -0.260 19300 2693 1 18 . 1 1 33 33 THR CA C 33 62.204 62.204 62.082 0.122 19300 2694 1 18 . 1 1 33 33 THR CB C 33 70.173 70.173 70.078 0.095 19300 2695 1 18 . 1 1 33 33 THR H H 33 8.040 8.040 7.791 0.249 19300 2696 1 18 . 1 1 34 34 PHE N N 34 121.941 121.941 121.847 0.094 19300 2697 1 18 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.578 -0.008 19300 2698 1 18 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.239 0.663 19300 2699 1 18 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.057 0.617 19300 2700 1 18 . 1 1 34 34 PHE H H 34 8.282 8.282 8.139 0.143 19300 2701 1 19 . 1 1 2 2 CYS N N 2 120.737 120.737 118.869 1.868 19300 2702 1 19 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.575 0.249 19300 2703 1 19 . 1 1 2 2 CYS H H 2 8.701 8.701 8.349 0.352 19300 2704 1 19 . 1 1 3 3 ARG N N 3 120.701 120.701 122.603 -1.902 19300 2705 1 19 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.732 -0.354 19300 2706 1 19 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.195 2.959 19300 2707 1 19 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.329 -0.604 19300 2708 1 19 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300 2709 1 19 . 1 1 4 4 TYR N N 4 122.006 122.006 119.756 2.250 19300 2710 1 19 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.682 -0.392 19300 2711 1 19 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.279 1.057 19300 2712 1 19 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.077 0.021 19300 2713 1 19 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300 2714 1 19 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.220 -0.606 19300 2715 1 19 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.340 1.147 19300 2716 1 19 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.978 -0.318 19300 2717 1 19 . 1 1 6 6 LEU N N 6 121.148 121.148 120.818 0.330 19300 2718 1 19 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.050 -0.090 19300 2719 1 19 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.757 2.262 19300 2720 1 19 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.086 -0.835 19300 2721 1 19 . 1 1 6 6 LEU H H 6 8.701 8.701 8.622 0.079 19300 2722 1 19 . 1 1 7 7 GLY N N 7 110.200 110.200 107.600 2.600 19300 2723 1 19 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.317 -0.507 19300 2724 1 19 . 1 1 7 7 GLY H H 7 8.947 8.947 7.984 0.963 19300 2725 1 19 . 1 1 8 8 GLY N N 8 110.973 110.973 106.823 4.150 19300 2726 1 19 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.603 1.999 19300 2727 1 19 . 1 1 8 8 GLY H H 8 8.699 8.699 8.005 0.694 19300 2728 1 19 . 1 1 9 9 CYS N N 9 117.019 117.019 117.872 -0.853 19300 2729 1 19 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.669 0.543 19300 2730 1 19 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.486 -1.306 19300 2731 1 19 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.931 15.988 19300 2732 1 19 . 1 1 9 9 CYS H H 9 8.407 8.407 8.151 0.256 19300 2733 1 19 . 1 1 10 10 SER N N 10 116.524 116.524 115.068 1.456 19300 2734 1 19 . 1 1 10 10 SER HA H 10 4.384 4.384 4.439 -0.055 19300 2735 1 19 . 1 1 10 10 SER CA C 10 59.172 59.172 58.472 0.700 19300 2736 1 19 . 1 1 10 10 SER CB C 10 63.793 63.793 64.497 -0.704 19300 2737 1 19 . 1 1 10 10 SER H H 10 8.180 8.180 8.139 0.041 19300 2738 1 19 . 1 1 11 11 ALA N N 11 124.635 124.635 124.762 -0.127 19300 2739 1 19 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.333 0.126 19300 2740 1 19 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.730 -1.065 19300 2741 1 19 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.503 -0.317 19300 2742 1 19 . 1 1 11 11 ALA H H 11 8.648 8.648 8.457 0.191 19300 2743 1 19 . 1 1 12 12 GLY N N 12 106.219 106.219 105.571 0.648 19300 2744 1 19 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.099 0.232 19300 2745 1 19 . 1 1 12 12 GLY H H 12 8.060 8.060 8.292 -0.232 19300 2746 1 19 . 1 1 13 13 GLN N N 13 121.578 121.578 119.796 1.782 19300 2747 1 19 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.756 -0.445 19300 2748 1 19 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.199 0.955 19300 2749 1 19 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.568 -2.889 19300 2750 1 19 . 1 1 13 13 GLN H H 13 8.394 8.394 7.406 0.988 19300 2751 1 19 . 1 1 14 14 THR N N 14 115.982 115.982 113.434 2.548 19300 2752 1 19 . 1 1 14 14 THR HA H 14 4.359 4.359 4.633 -0.274 19300 2753 1 19 . 1 1 14 14 THR CA C 14 61.622 61.622 61.148 0.474 19300 2754 1 19 . 1 1 14 14 THR CB C 14 70.762 70.762 71.728 -0.966 19300 2755 1 19 . 1 1 14 14 THR H H 14 8.310 8.310 8.332 -0.022 19300 2756 1 19 . 1 1 15 15 CYS N N 15 123.244 123.244 119.921 3.323 19300 2757 1 19 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.863 0.195 19300 2758 1 19 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.572 -3.697 19300 2759 1 19 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.987 12.226 19300 2760 1 19 . 1 1 15 15 CYS H H 15 8.996 8.996 8.559 0.437 19300 2761 1 19 . 1 1 16 16 CYS N N 16 121.708 121.708 122.868 -1.160 19300 2762 1 19 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.294 0.260 19300 2763 1 19 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.268 -6.458 19300 2764 1 19 . 1 1 16 16 CYS CB C 16 39.668 39.668 27.980 11.688 19300 2765 1 19 . 1 1 16 16 CYS H H 16 9.380 9.380 8.949 0.431 19300 2766 1 19 . 1 1 17 17 LYS N N 17 117.934 117.934 121.351 -3.417 19300 2767 1 19 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.032 -0.051 19300 2768 1 19 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.453 0.881 19300 2769 1 19 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.726 -0.211 19300 2770 1 19 . 1 1 17 17 LYS H H 17 7.931 7.931 8.604 -0.673 19300 2771 1 19 . 1 1 18 18 HIS N N 18 112.381 112.381 113.311 -0.930 19300 2772 1 19 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.365 0.015 19300 2773 1 19 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.245 -2.796 19300 2774 1 19 . 1 1 18 18 HIS CB C 18 26.835 26.835 28.369 -1.534 19300 2775 1 19 . 1 1 18 18 HIS H H 18 8.601 8.601 8.726 -0.125 19300 2776 1 19 . 1 1 19 19 LEU N N 19 119.252 119.252 117.383 1.869 19300 2777 1 19 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.605 -0.306 19300 2778 1 19 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.665 0.358 19300 2779 1 19 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.976 -1.621 19300 2780 1 19 . 1 1 19 19 LEU H H 19 8.094 8.094 7.454 0.640 19300 2781 1 19 . 1 1 20 20 VAL N N 20 116.729 116.729 113.712 3.017 19300 2782 1 19 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.632 -0.124 19300 2783 1 19 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.649 -0.388 19300 2784 1 19 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.957 -0.054 19300 2785 1 19 . 1 1 20 20 VAL H H 20 9.548 9.548 8.994 0.554 19300 2786 1 19 . 1 1 21 21 CYS N N 21 123.437 123.437 126.119 -2.682 19300 2787 1 19 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.528 0.075 19300 2788 1 19 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.855 -3.454 19300 2789 1 19 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.096 14.264 19300 2790 1 19 . 1 1 21 21 CYS H H 21 8.936 8.936 8.934 0.002 19300 2791 1 19 . 1 1 22 22 SER N N 22 124.898 124.898 122.766 2.132 19300 2792 1 19 . 1 1 22 22 SER HA H 22 4.458 4.458 4.366 0.092 19300 2793 1 19 . 1 1 22 22 SER CA C 22 57.364 57.364 57.674 -0.310 19300 2794 1 19 . 1 1 22 22 SER CB C 22 63.430 63.430 63.327 0.103 19300 2795 1 19 . 1 1 22 22 SER H H 22 8.349 8.349 8.146 0.203 19300 2796 1 19 . 1 1 23 23 ARG N N 23 132.391 132.391 127.691 4.700 19300 2797 1 19 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.088 -0.086 19300 2798 1 19 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.478 0.053 19300 2799 1 19 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.000 -0.399 19300 2800 1 19 . 1 1 23 23 ARG H H 23 9.009 9.009 8.280 0.729 19300 2801 1 19 . 1 1 24 24 ARG N N 24 117.241 117.241 117.050 0.191 19300 2802 1 19 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.153 -0.229 19300 2803 1 19 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.621 0.127 19300 2804 1 19 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.063 0.343 19300 2805 1 19 . 1 1 24 24 ARG H H 24 7.945 7.945 7.987 -0.042 19300 2806 1 19 . 1 1 25 25 HIS N N 25 111.143 111.143 115.082 -3.939 19300 2807 1 19 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.066 0.163 19300 2808 1 19 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.557 -1.606 19300 2809 1 19 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.082 -2.103 19300 2810 1 19 . 1 1 25 25 HIS H H 25 7.326 7.326 7.382 -0.056 19300 2811 1 19 . 1 1 26 26 GLY N N 26 106.585 106.585 106.403 0.182 19300 2812 1 19 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.916 1.676 19300 2813 1 19 . 1 1 26 26 GLY H H 26 8.257 8.257 8.248 0.009 19300 2814 1 19 . 1 1 27 27 TRP N N 27 114.076 114.076 117.051 -2.975 19300 2815 1 19 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.037 0.548 19300 2816 1 19 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.704 0.094 19300 2817 1 19 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.730 1.086 19300 2818 1 19 . 1 1 27 27 TRP H H 27 6.816 6.816 7.087 -0.271 19300 2819 1 19 . 1 1 28 28 CYS N N 28 120.417 120.417 121.848 -1.431 19300 2820 1 19 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.030 -0.002 19300 2821 1 19 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.901 -3.754 19300 2822 1 19 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.606 15.980 19300 2823 1 19 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300 2824 1 19 . 1 1 29 29 VAL N N 29 117.638 117.638 118.261 -0.623 19300 2825 1 19 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.945 -0.017 19300 2826 1 19 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.491 -0.144 19300 2827 1 19 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.988 0.539 19300 2828 1 19 . 1 1 29 29 VAL H H 29 9.648 9.648 9.278 0.370 19300 2829 1 19 . 1 1 30 30 TRP N N 30 120.857 120.857 122.168 -1.311 19300 2830 1 19 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.696 0.198 19300 2831 1 19 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.911 1.282 19300 2832 1 19 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.489 0.390 19300 2833 1 19 . 1 1 30 30 TRP H H 30 7.875 7.875 8.823 -0.948 19300 2834 1 19 . 1 1 31 31 ASP N N 31 122.575 122.575 124.411 -1.836 19300 2835 1 19 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.942 -0.418 19300 2836 1 19 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.094 -0.939 19300 2837 1 19 . 1 1 31 31 ASP CB C 31 40.532 40.532 40.897 -0.365 19300 2838 1 19 . 1 1 31 31 ASP H H 31 8.813 8.813 8.496 0.317 19300 2839 1 19 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.472 0.259 19300 2840 1 19 . 1 1 32 32 GLY H H 32 8.070 8.070 8.124 -0.054 19300 2841 1 19 . 1 1 33 33 THR N N 33 113.474 113.474 118.285 -4.811 19300 2842 1 19 . 1 1 33 33 THR HA H 33 4.311 4.311 4.449 -0.138 19300 2843 1 19 . 1 1 33 33 THR CA C 33 62.204 62.204 60.552 1.652 19300 2844 1 19 . 1 1 33 33 THR CB C 33 70.173 70.173 69.457 0.716 19300 2845 1 19 . 1 1 33 33 THR H H 33 8.040 8.040 7.700 0.340 19300 2846 1 19 . 1 1 34 34 PHE N N 34 121.941 121.941 120.076 1.865 19300 2847 1 19 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.694 -0.124 19300 2848 1 19 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.198 0.704 19300 2849 1 19 . 1 1 34 34 PHE CB C 34 39.674 39.674 38.912 0.762 19300 2850 1 19 . 1 1 34 34 PHE H H 34 8.282 8.282 7.117 1.165 19300 2851 1 20 . 1 1 2 2 CYS N N 2 120.737 120.737 118.962 1.775 19300 2852 1 20 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.630 0.194 19300 2853 1 20 . 1 1 2 2 CYS H H 2 8.701 8.701 8.364 0.337 19300 2854 1 20 . 1 1 3 3 ARG N N 3 120.701 120.701 122.548 -1.847 19300 2855 1 20 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.742 -0.364 19300 2856 1 20 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.190 2.964 19300 2857 1 20 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.388 -0.663 19300 2858 1 20 . 1 1 3 3 ARG H H 3 8.970 8.970 8.305 0.665 19300 2859 1 20 . 1 1 4 4 TYR N N 4 122.006 122.006 119.693 2.313 19300 2860 1 20 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.690 -0.400 19300 2861 1 20 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.261 1.075 19300 2862 1 20 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.094 0.003 19300 2863 1 20 . 1 1 4 4 TYR H H 4 8.190 8.190 8.037 0.153 19300 2864 1 20 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.182 -0.568 19300 2865 1 20 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.290 1.196 19300 2866 1 20 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.925 -0.265 19300 2867 1 20 . 1 1 6 6 LEU N N 6 121.148 121.148 120.830 0.318 19300 2868 1 20 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.036 -0.076 19300 2869 1 20 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.737 2.282 19300 2870 1 20 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.059 -0.809 19300 2871 1 20 . 1 1 6 6 LEU H H 6 8.701 8.701 8.593 0.108 19300 2872 1 20 . 1 1 7 7 GLY N N 7 110.200 110.200 106.732 3.468 19300 2873 1 20 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.373 -0.563 19300 2874 1 20 . 1 1 7 7 GLY H H 7 8.947 8.947 8.064 0.883 19300 2875 1 20 . 1 1 8 8 GLY N N 8 110.973 110.973 106.284 4.689 19300 2876 1 20 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.339 2.263 19300 2877 1 20 . 1 1 8 8 GLY H H 8 8.699 8.699 7.945 0.754 19300 2878 1 20 . 1 1 9 9 CYS N N 9 117.019 117.019 117.643 -0.624 19300 2879 1 20 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.654 0.558 19300 2880 1 20 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.920 -1.740 19300 2881 1 20 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.230 15.690 19300 2882 1 20 . 1 1 9 9 CYS H H 9 8.407 8.407 8.173 0.234 19300 2883 1 20 . 1 1 10 10 SER N N 10 116.524 116.524 115.227 1.297 19300 2884 1 20 . 1 1 10 10 SER HA H 10 4.384 4.384 4.463 -0.079 19300 2885 1 20 . 1 1 10 10 SER CA C 10 59.172 59.172 58.093 1.079 19300 2886 1 20 . 1 1 10 10 SER CB C 10 63.793 63.793 64.488 -0.695 19300 2887 1 20 . 1 1 10 10 SER H H 10 8.180 8.180 8.104 0.076 19300 2888 1 20 . 1 1 11 11 ALA N N 11 124.635 124.635 123.896 0.739 19300 2889 1 20 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.322 0.137 19300 2890 1 20 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.821 -1.156 19300 2891 1 20 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.715 -0.529 19300 2892 1 20 . 1 1 11 11 ALA H H 11 8.648 8.648 8.431 0.217 19300 2893 1 20 . 1 1 12 12 GLY N N 12 106.219 106.219 105.702 0.517 19300 2894 1 20 . 1 1 12 12 GLY CA C 12 45.331 45.331 44.807 0.524 19300 2895 1 20 . 1 1 12 12 GLY H H 12 8.060 8.060 7.957 0.103 19300 2896 1 20 . 1 1 13 13 GLN N N 13 121.578 121.578 119.764 1.814 19300 2897 1 20 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.642 -0.331 19300 2898 1 20 . 1 1 13 13 GLN CA C 13 56.154 56.154 54.970 1.184 19300 2899 1 20 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.326 -2.647 19300 2900 1 20 . 1 1 13 13 GLN H H 13 8.394 8.394 7.372 1.022 19300 2901 1 20 . 1 1 14 14 THR N N 14 115.982 115.982 113.464 2.518 19300 2902 1 20 . 1 1 14 14 THR HA H 14 4.359 4.359 4.627 -0.268 19300 2903 1 20 . 1 1 14 14 THR CA C 14 61.622 61.622 61.120 0.502 19300 2904 1 20 . 1 1 14 14 THR CB C 14 70.762 70.762 71.757 -0.995 19300 2905 1 20 . 1 1 14 14 THR H H 14 8.310 8.310 8.346 -0.036 19300 2906 1 20 . 1 1 15 15 CYS N N 15 123.244 123.244 119.974 3.270 19300 2907 1 20 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.850 0.208 19300 2908 1 20 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.389 -3.514 19300 2909 1 20 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.940 12.273 19300 2910 1 20 . 1 1 15 15 CYS H H 15 8.996 8.996 8.584 0.412 19300 2911 1 20 . 1 1 16 16 CYS N N 16 121.708 121.708 122.732 -1.024 19300 2912 1 20 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.369 0.185 19300 2913 1 20 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.547 -6.737 19300 2914 1 20 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.328 11.340 19300 2915 1 20 . 1 1 16 16 CYS H H 16 9.380 9.380 8.766 0.614 19300 2916 1 20 . 1 1 17 17 LYS N N 17 117.934 117.934 121.455 -3.521 19300 2917 1 20 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.138 -0.157 19300 2918 1 20 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.785 0.549 19300 2919 1 20 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.087 -0.572 19300 2920 1 20 . 1 1 17 17 LYS H H 17 7.931 7.931 8.704 -0.773 19300 2921 1 20 . 1 1 18 18 HIS N N 18 112.381 112.381 114.434 -2.053 19300 2922 1 20 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.374 0.006 19300 2923 1 20 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.551 -3.102 19300 2924 1 20 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.437 -2.602 19300 2925 1 20 . 1 1 18 18 HIS H H 18 8.601 8.601 8.829 -0.228 19300 2926 1 20 . 1 1 19 19 LEU N N 19 119.252 119.252 116.801 2.451 19300 2927 1 20 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.468 -0.169 19300 2928 1 20 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.567 0.456 19300 2929 1 20 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.836 -1.481 19300 2930 1 20 . 1 1 19 19 LEU H H 19 8.094 8.094 7.437 0.657 19300 2931 1 20 . 1 1 20 20 VAL N N 20 116.729 116.729 112.889 3.840 19300 2932 1 20 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.460 0.048 19300 2933 1 20 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.686 -0.425 19300 2934 1 20 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.547 0.356 19300 2935 1 20 . 1 1 20 20 VAL H H 20 9.548 9.548 8.705 0.843 19300 2936 1 20 . 1 1 21 21 CYS N N 21 123.437 123.437 126.132 -2.695 19300 2937 1 20 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.492 0.111 19300 2938 1 20 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.732 -3.331 19300 2939 1 20 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.139 14.221 19300 2940 1 20 . 1 1 21 21 CYS H H 21 8.936 8.936 8.822 0.114 19300 2941 1 20 . 1 1 22 22 SER N N 22 124.898 124.898 122.936 1.962 19300 2942 1 20 . 1 1 22 22 SER HA H 22 4.458 4.458 4.454 0.004 19300 2943 1 20 . 1 1 22 22 SER CA C 22 57.364 57.364 57.870 -0.506 19300 2944 1 20 . 1 1 22 22 SER CB C 22 63.430 63.430 63.093 0.337 19300 2945 1 20 . 1 1 22 22 SER H H 22 8.349 8.349 8.098 0.251 19300 2946 1 20 . 1 1 23 23 ARG N N 23 132.391 132.391 127.295 5.096 19300 2947 1 20 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.112 -0.110 19300 2948 1 20 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.425 0.105 19300 2949 1 20 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.045 -0.444 19300 2950 1 20 . 1 1 23 23 ARG H H 23 9.009 9.009 8.357 0.652 19300 2951 1 20 . 1 1 24 24 ARG N N 24 117.241 117.241 116.847 0.394 19300 2952 1 20 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.201 -0.277 19300 2953 1 20 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.641 0.107 19300 2954 1 20 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.335 0.071 19300 2955 1 20 . 1 1 24 24 ARG H H 24 7.945 7.945 8.006 -0.061 19300 2956 1 20 . 1 1 25 25 HIS N N 25 111.143 111.143 115.242 -4.099 19300 2957 1 20 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.087 0.142 19300 2958 1 20 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.661 -1.710 19300 2959 1 20 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.092 -2.113 19300 2960 1 20 . 1 1 25 25 HIS H H 25 7.326 7.326 7.438 -0.112 19300 2961 1 20 . 1 1 26 26 GLY N N 26 106.585 106.585 106.469 0.116 19300 2962 1 20 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.929 1.663 19300 2963 1 20 . 1 1 26 26 GLY H H 26 8.257 8.257 8.279 -0.022 19300 2964 1 20 . 1 1 27 27 TRP N N 27 114.076 114.076 117.058 -2.982 19300 2965 1 20 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.025 0.560 19300 2966 1 20 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.699 0.099 19300 2967 1 20 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.721 1.095 19300 2968 1 20 . 1 1 27 27 TRP H H 27 6.816 6.816 7.075 -0.259 19300 2969 1 20 . 1 1 28 28 CYS N N 28 120.417 120.417 121.906 -1.489 19300 2970 1 20 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.012 0.016 19300 2971 1 20 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.467 -4.320 19300 2972 1 20 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.272 16.314 19300 2973 1 20 . 1 1 28 28 CYS H H 28 8.856 8.856 9.168 -0.312 19300 2974 1 20 . 1 1 29 29 VAL N N 29 117.638 117.638 119.564 -1.926 19300 2975 1 20 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.789 0.139 19300 2976 1 20 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.338 1.009 19300 2977 1 20 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.029 1.498 19300 2978 1 20 . 1 1 29 29 VAL H H 29 9.648 9.648 9.044 0.604 19300 2979 1 20 . 1 1 30 30 TRP N N 30 120.857 120.857 121.547 -0.690 19300 2980 1 20 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.659 0.235 19300 2981 1 20 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.010 1.183 19300 2982 1 20 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.709 0.171 19300 2983 1 20 . 1 1 30 30 TRP H H 30 7.875 7.875 8.715 -0.840 19300 2984 1 20 . 1 1 31 31 ASP N N 31 122.575 122.575 123.991 -1.416 19300 2985 1 20 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.688 -0.164 19300 2986 1 20 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.464 -0.309 19300 2987 1 20 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.390 -0.858 19300 2988 1 20 . 1 1 31 31 ASP H H 31 8.813 8.813 8.423 0.390 19300 2989 1 20 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.796 -0.064 19300 2990 1 20 . 1 1 32 32 GLY H H 32 8.070 8.070 9.210 -1.140 19300 2991 1 20 . 1 1 33 33 THR N N 33 113.474 113.474 116.802 -3.328 19300 2992 1 20 . 1 1 33 33 THR HA H 33 4.311 4.311 4.637 -0.326 19300 2993 1 20 . 1 1 33 33 THR CA C 33 62.204 62.204 61.953 0.251 19300 2994 1 20 . 1 1 33 33 THR CB C 33 70.173 70.173 69.814 0.359 19300 2995 1 20 . 1 1 33 33 THR H H 33 8.040 8.040 7.875 0.165 19300 2996 1 20 . 1 1 34 34 PHE N N 34 121.941 121.941 121.495 0.446 19300 2997 1 20 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.583 -0.013 19300 2998 1 20 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.140 0.762 19300 2999 1 20 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.294 0.380 19300 3000 1 20 . 1 1 34 34 PHE H H 34 8.282 8.282 8.172 0.110 19300 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 31 2.393 -0.197 2.424 19300 2 1 1 "Average Difference" HA 38 0.272 -0.009 0.276 19300 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19300 4 1 1 "Average Difference" CA 32 1.964 0.320 1.969 19300 5 1 1 "Average Difference" CB 27 6.260 -2.200 5.972 19300 6 1 1 "Average Difference" HN 32 0.517 -0.168 0.497 19300 7 1 2 "Average Difference" N 31 2.314 -0.239 2.340 19300 8 1 2 "Average Difference" HA 38 0.283 -0.025 0.285 19300 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19300 10 1 2 "Average Difference" CA 32 2.015 0.343 2.017 19300 11 1 2 "Average Difference" CB 27 6.218 -2.240 5.911 19300 12 1 2 "Average Difference" HN 32 0.513 -0.188 0.485 19300 13 1 3 "Average Difference" N 31 2.465 -0.237 2.494 19300 14 1 3 "Average Difference" HA 38 0.276 -0.016 0.280 19300 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19300 16 1 3 "Average Difference" CA 32 1.959 0.290 1.968 19300 17 1 3 "Average Difference" CB 27 6.144 -2.147 5.866 19300 18 1 3 "Average Difference" HN 32 0.519 -0.145 0.506 19300 19 1 4 "Average Difference" N 31 2.422 -0.311 2.441 19300 20 1 4 "Average Difference" HA 38 0.274 -0.011 0.277 19300 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19300 22 1 4 "Average Difference" CA 32 1.951 0.308 1.957 19300 23 1 4 "Average Difference" CB 27 6.175 -2.198 5.880 19300 24 1 4 "Average Difference" HN 32 0.512 -0.166 0.492 19300 25 1 5 "Average Difference" N 31 2.466 -0.354 2.480 19300 26 1 5 "Average Difference" HA 38 0.280 -0.030 0.282 19300 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19300 28 1 5 "Average Difference" CA 32 1.952 0.313 1.957 19300 29 1 5 "Average Difference" CB 27 6.085 -2.134 5.807 19300 30 1 5 "Average Difference" HN 32 0.536 -0.154 0.522 19300 31 1 6 "Average Difference" N 31 2.441 -0.303 2.462 19300 32 1 6 "Average Difference" HA 38 0.280 -0.022 0.283 19300 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19300 34 1 6 "Average Difference" CA 32 2.013 0.322 2.019 19300 35 1 6 "Average Difference" CB 27 6.176 -2.211 5.877 19300 36 1 6 "Average Difference" HN 32 0.520 -0.178 0.496 19300 37 1 7 "Average Difference" N 31 2.489 -0.413 2.495 19300 38 1 7 "Average Difference" HA 38 0.284 0.002 0.288 19300 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19300 40 1 7 "Average Difference" CA 32 1.978 0.227 1.997 19300 41 1 7 "Average Difference" CB 27 6.160 -2.243 5.846 19300 42 1 7 "Average Difference" HN 32 0.503 -0.234 0.453 19300 43 1 8 "Average Difference" N 31 2.505 -0.411 2.512 19300 44 1 8 "Average Difference" HA 38 0.276 -0.019 0.279 19300 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19300 46 1 8 "Average Difference" CA 32 1.977 0.355 1.976 19300 47 1 8 "Average Difference" CB 27 6.207 -2.188 5.919 19300 48 1 8 "Average Difference" HN 32 0.534 -0.180 0.511 19300 49 1 9 "Average Difference" N 31 2.402 -0.275 2.426 19300 50 1 9 "Average Difference" HA 38 0.277 -0.018 0.280 19300 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19300 52 1 9 "Average Difference" CA 32 1.950 0.270 1.962 19300 53 1 9 "Average Difference" CB 27 6.248 -2.201 5.959 19300 54 1 9 "Average Difference" HN 32 0.521 -0.156 0.505 19300 55 1 10 "Average Difference" N 31 2.593 -0.446 2.597 19300 56 1 10 "Average Difference" HA 38 0.271 -0.023 0.273 19300 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19300 58 1 10 "Average Difference" CA 32 1.948 0.328 1.951 19300 59 1 10 "Average Difference" CB 27 6.240 -2.182 5.958 19300 60 1 10 "Average Difference" HN 32 0.523 -0.162 0.505 19300 61 1 11 "Average Difference" N 31 2.396 -0.315 2.415 19300 62 1 11 "Average Difference" HA 38 0.267 -0.011 0.270 19300 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19300 64 1 11 "Average Difference" CA 32 2.014 0.288 2.025 19300 65 1 11 "Average Difference" CB 27 6.177 -2.192 5.885 19300 66 1 11 "Average Difference" HN 32 0.529 -0.147 0.516 19300 67 1 12 "Average Difference" N 31 2.369 -0.266 2.393 19300 68 1 12 "Average Difference" HA 38 0.270 -0.020 0.273 19300 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19300 70 1 12 "Average Difference" CA 32 1.943 0.318 1.948 19300 71 1 12 "Average Difference" CB 27 6.236 -2.187 5.952 19300 72 1 12 "Average Difference" HN 32 0.510 -0.154 0.494 19300 73 1 13 "Average Difference" N 31 2.568 -0.367 2.584 19300 74 1 13 "Average Difference" HA 38 0.277 -0.013 0.281 19300 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19300 76 1 13 "Average Difference" CA 32 1.941 0.278 1.952 19300 77 1 13 "Average Difference" CB 27 6.150 -2.169 5.864 19300 78 1 13 "Average Difference" HN 32 0.534 -0.171 0.514 19300 79 1 14 "Average Difference" N 31 2.454 -0.395 2.462 19300 80 1 14 "Average Difference" HA 38 0.277 -0.026 0.279 19300 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19300 82 1 14 "Average Difference" CA 32 2.054 0.364 2.054 19300 83 1 14 "Average Difference" CB 27 6.081 -2.139 5.801 19300 84 1 14 "Average Difference" HN 32 0.523 -0.160 0.506 19300 85 1 15 "Average Difference" N 31 2.461 -0.322 2.480 19300 86 1 15 "Average Difference" HA 38 0.272 -0.022 0.275 19300 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19300 88 1 15 "Average Difference" CA 32 2.066 0.358 2.067 19300 89 1 15 "Average Difference" CB 27 6.239 -2.240 5.934 19300 90 1 15 "Average Difference" HN 32 0.540 -0.170 0.521 19300 91 1 16 "Average Difference" N 31 2.483 -0.323 2.502 19300 92 1 16 "Average Difference" HA 38 0.276 -0.026 0.278 19300 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19300 94 1 16 "Average Difference" CA 32 2.026 0.301 2.035 19300 95 1 16 "Average Difference" CB 27 6.105 -2.217 5.796 19300 96 1 16 "Average Difference" HN 32 0.527 -0.161 0.510 19300 97 1 17 "Average Difference" N 31 2.425 -0.217 2.455 19300 98 1 17 "Average Difference" HA 38 0.273 -0.011 0.276 19300 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19300 100 1 17 "Average Difference" CA 32 1.981 0.260 1.995 19300 101 1 17 "Average Difference" CB 27 6.273 -2.236 5.972 19300 102 1 17 "Average Difference" HN 32 0.522 -0.172 0.501 19300 103 1 18 "Average Difference" N 31 2.392 -0.260 2.417 19300 104 1 18 "Average Difference" HA 38 0.274 -0.010 0.278 19300 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19300 106 1 18 "Average Difference" CA 32 2.000 0.305 2.008 19300 107 1 18 "Average Difference" CB 27 6.210 -2.212 5.913 19300 108 1 18 "Average Difference" HN 32 0.527 -0.171 0.506 19300 109 1 19 "Average Difference" N 31 2.404 -0.223 2.433 19300 110 1 19 "Average Difference" HA 38 0.291 -0.008 0.295 19300 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19300 112 1 19 "Average Difference" CA 32 1.990 0.236 2.007 19300 113 1 19 "Average Difference" CB 27 6.159 -2.266 5.836 19300 114 1 19 "Average Difference" HN 32 0.502 -0.216 0.460 19300 115 1 20 "Average Difference" N 31 2.477 -0.301 2.500 19300 116 1 20 "Average Difference" HA 38 0.279 -0.013 0.283 19300 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19300 118 1 20 "Average Difference" CA 32 2.065 0.257 2.081 19300 119 1 20 "Average Difference" CB 27 6.153 -2.201 5.856 19300 120 1 20 "Average Difference" HN 32 0.521 -0.174 0.499 19300 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 19300 _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 CYS N N 2 120.737 120.737 119.020 1.717 19300 2 1 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.606 0.218 19300 3 1 . 1 1 2 2 CYS H H 2 8.701 8.701 8.310 0.391 19300 4 1 . 1 1 3 3 ARG N N 3 120.701 120.701 122.582 -1.881 19300 5 1 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300 6 1 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.189 2.965 19300 7 1 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.334 -0.609 19300 8 1 . 1 1 3 3 ARG H H 3 8.970 8.970 8.304 0.666 19300 9 1 . 1 1 4 4 TYR N N 4 122.006 122.006 119.748 2.258 19300 10 1 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.678 -0.388 19300 11 1 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.288 1.048 19300 12 1 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.067 0.030 19300 13 1 . 1 1 4 4 TYR H H 4 8.190 8.190 8.002 0.188 19300 14 1 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.190 -0.575 19300 15 1 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.323 1.163 19300 16 1 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.961 -0.301 19300 17 1 . 1 1 6 6 LEU N N 6 121.148 121.148 120.447 0.701 19300 18 1 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.051 -0.091 19300 19 1 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.819 2.200 19300 20 1 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.998 -0.747 19300 21 1 . 1 1 6 6 LEU H H 6 8.701 8.701 8.569 0.132 19300 22 1 . 1 1 7 7 GLY N N 7 110.200 110.200 106.391 3.809 19300 23 1 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.246 -0.436 19300 24 1 . 1 1 7 7 GLY H H 7 8.947 8.947 7.937 1.010 19300 25 1 . 1 1 8 8 GLY N N 8 110.973 110.973 106.802 4.171 19300 26 1 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.388 2.214 19300 27 1 . 1 1 8 8 GLY H H 8 8.699 8.699 7.965 0.734 19300 28 1 . 1 1 9 9 CYS N N 9 117.019 117.019 118.167 -1.148 19300 29 1 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.664 0.548 19300 30 1 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.168 -1.988 19300 31 1 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.028 15.891 19300 32 1 . 1 1 9 9 CYS H H 9 8.407 8.407 8.208 0.199 19300 33 1 . 1 1 10 10 SER N N 10 116.524 116.524 115.110 1.414 19300 34 1 . 1 1 10 10 SER HA H 10 4.384 4.384 4.450 -0.066 19300 35 1 . 1 1 10 10 SER CA C 10 59.172 59.172 58.242 0.929 19300 36 1 . 1 1 10 10 SER CB C 10 63.793 63.793 64.636 -0.843 19300 37 1 . 1 1 10 10 SER H H 10 8.180 8.180 8.160 0.020 19300 38 1 . 1 1 11 11 ALA N N 11 124.635 124.635 123.689 0.946 19300 39 1 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.298 0.161 19300 40 1 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.940 -1.275 19300 41 1 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.664 -0.478 19300 42 1 . 1 1 11 11 ALA H H 11 8.648 8.648 8.473 0.175 19300 43 1 . 1 1 12 12 GLY N N 12 106.219 106.219 105.269 0.950 19300 44 1 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.080 0.251 19300 45 1 . 1 1 12 12 GLY H H 12 8.060 8.060 8.244 -0.184 19300 46 1 . 1 1 13 13 GLN N N 13 121.578 121.578 119.837 1.741 19300 47 1 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.691 -0.380 19300 48 1 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.149 1.005 19300 49 1 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.458 -2.779 19300 50 1 . 1 1 13 13 GLN H H 13 8.394 8.394 7.371 1.023 19300 51 1 . 1 1 14 14 THR N N 14 115.982 115.982 113.380 2.602 19300 52 1 . 1 1 14 14 THR HA H 14 4.359 4.359 4.624 -0.265 19300 53 1 . 1 1 14 14 THR CA C 14 61.622 61.622 61.097 0.525 19300 54 1 . 1 1 14 14 THR CB C 14 70.762 70.762 71.710 -0.948 19300 55 1 . 1 1 14 14 THR H H 14 8.310 8.310 8.296 0.013 19300 56 1 . 1 1 15 15 CYS N N 15 123.244 123.244 119.987 3.257 19300 57 1 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.866 0.192 19300 58 1 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.497 -3.622 19300 59 1 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.800 12.413 19300 60 1 . 1 1 15 15 CYS H H 15 8.996 8.996 8.504 0.492 19300 61 1 . 1 1 16 16 CYS N N 16 121.708 121.708 122.802 -1.094 19300 62 1 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.347 0.207 19300 63 1 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.043 -6.233 19300 64 1 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.098 11.570 19300 65 1 . 1 1 16 16 CYS H H 16 9.380 9.380 8.925 0.455 19300 66 1 . 1 1 17 17 LYS N N 17 117.934 117.934 121.531 -3.597 19300 67 1 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.120 -0.139 19300 68 1 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.813 0.521 19300 69 1 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.067 -0.552 19300 70 1 . 1 1 17 17 LYS H H 17 7.931 7.931 8.689 -0.758 19300 71 1 . 1 1 18 18 HIS N N 18 112.381 112.381 114.419 -2.038 19300 72 1 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.382 -0.002 19300 73 1 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.381 -2.932 19300 74 1 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.351 -2.515 19300 75 1 . 1 1 18 18 HIS H H 18 8.601 8.601 8.828 -0.227 19300 76 1 . 1 1 19 19 LEU N N 19 119.252 119.252 116.864 2.388 19300 77 1 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.499 -0.200 19300 78 1 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.603 0.420 19300 79 1 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.951 -1.596 19300 80 1 . 1 1 19 19 LEU H H 19 8.094 8.094 7.454 0.640 19300 81 1 . 1 1 20 20 VAL N N 20 116.729 116.729 112.966 3.763 19300 82 1 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.513 -0.005 19300 83 1 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.600 -0.339 19300 84 1 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.690 0.213 19300 85 1 . 1 1 20 20 VAL H H 20 9.548 9.548 8.776 0.772 19300 86 1 . 1 1 21 21 CYS N N 21 123.437 123.437 125.933 -2.496 19300 87 1 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.475 0.128 19300 88 1 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.590 -3.189 19300 89 1 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.115 14.245 19300 90 1 . 1 1 21 21 CYS H H 21 8.936 8.936 8.876 0.060 19300 91 1 . 1 1 22 22 SER N N 22 124.898 124.898 123.012 1.886 19300 92 1 . 1 1 22 22 SER HA H 22 4.458 4.458 4.402 0.056 19300 93 1 . 1 1 22 22 SER CA C 22 57.364 57.364 57.780 -0.416 19300 94 1 . 1 1 22 22 SER CB C 22 63.430 63.430 63.245 0.186 19300 95 1 . 1 1 22 22 SER H H 22 8.349 8.349 8.115 0.234 19300 96 1 . 1 1 23 23 ARG N N 23 132.391 132.391 127.661 4.730 19300 97 1 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.086 -0.084 19300 98 1 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.515 0.016 19300 99 1 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.011 -0.411 19300 100 1 . 1 1 23 23 ARG H H 23 9.009 9.009 8.334 0.675 19300 101 1 . 1 1 24 24 ARG N N 24 117.241 117.241 117.216 0.025 19300 102 1 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.184 -0.260 19300 103 1 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.548 0.200 19300 104 1 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.174 0.232 19300 105 1 . 1 1 24 24 ARG H H 24 7.945 7.945 8.023 -0.078 19300 106 1 . 1 1 25 25 HIS N N 25 111.143 111.143 115.299 -4.156 19300 107 1 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.022 0.207 19300 108 1 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.779 -1.828 19300 109 1 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.013 -2.034 19300 110 1 . 1 1 25 25 HIS H H 25 7.326 7.326 7.452 -0.126 19300 111 1 . 1 1 26 26 GLY N N 26 106.585 106.585 106.231 0.354 19300 112 1 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.898 1.694 19300 113 1 . 1 1 26 26 GLY H H 26 8.257 8.257 8.236 0.021 19300 114 1 . 1 1 27 27 TRP N N 27 114.076 114.076 117.037 -2.961 19300 115 1 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300 116 1 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.681 0.117 19300 117 1 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.730 1.086 19300 118 1 . 1 1 27 27 TRP H H 27 6.816 6.816 7.072 -0.257 19300 119 1 . 1 1 28 28 CYS N N 28 120.417 120.417 121.895 -1.478 19300 120 1 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.997 0.031 19300 121 1 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.123 -3.976 19300 122 1 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.412 16.174 19300 123 1 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300 124 1 . 1 1 29 29 VAL N N 29 117.638 117.638 118.317 -0.679 19300 125 1 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.868 0.060 19300 126 1 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.108 0.239 19300 127 1 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.708 0.819 19300 128 1 . 1 1 29 29 VAL H H 29 9.648 9.648 9.021 0.627 19300 129 1 . 1 1 30 30 TRP N N 30 120.857 120.857 121.699 -0.842 19300 130 1 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.681 0.213 19300 131 1 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.878 1.315 19300 132 1 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.592 0.288 19300 133 1 . 1 1 30 30 TRP H H 30 7.875 7.875 8.742 -0.867 19300 134 1 . 1 1 31 31 ASP N N 31 122.575 122.575 124.625 -2.050 19300 135 1 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.723 -0.199 19300 136 1 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.940 -0.785 19300 137 1 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.207 -0.675 19300 138 1 . 1 1 31 31 ASP H H 31 8.813 8.813 8.393 0.420 19300 139 1 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.882 -0.150 19300 140 1 . 1 1 32 32 GLY H H 32 8.070 8.070 9.026 -0.956 19300 141 1 . 1 1 33 33 THR N N 33 113.474 113.474 116.104 -2.630 19300 142 1 . 1 1 33 33 THR HA H 33 4.311 4.311 4.522 -0.211 19300 143 1 . 1 1 33 33 THR CA C 33 62.204 62.204 61.762 0.442 19300 144 1 . 1 1 33 33 THR CB C 33 70.173 70.173 69.909 0.264 19300 145 1 . 1 1 33 33 THR H H 33 8.040 8.040 7.887 0.153 19300 146 1 . 1 1 34 34 PHE N N 34 121.941 121.941 122.028 -0.087 19300 147 1 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.584 -0.014 19300 148 1 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.663 0.239 19300 149 1 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.191 0.483 19300 150 1 . 1 1 34 34 PHE H H 34 8.282 8.282 8.163 0.119 19300 stop_ save_