data_26045 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26045 _Entry.PDB_ID 2ND2 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 26045 _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 PRO HA H 2 4.501 4.501 4.340 0.161 26045 2 1 1 . 1 1 2 2 PRO C C 2 178.016 178.016 176.573 1.443 26045 3 1 1 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.954 0.857 26045 4 1 1 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.348 -0.088 26045 5 1 1 . 1 1 3 3 CYS N N 3 117.098 117.098 114.862 2.236 26045 6 1 1 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.738 -0.228 26045 7 1 1 . 1 1 3 3 CYS C C 3 176.295 176.295 175.058 1.237 26045 8 1 1 . 1 1 3 3 CYS CA C 3 57.465 57.465 57.795 -0.330 26045 9 1 1 . 1 1 3 3 CYS CB C 3 39.971 39.971 26.950 13.021 26045 10 1 1 . 1 1 3 3 CYS H H 3 9.130 9.130 8.073 1.057 26045 11 1 1 . 1 1 4 4 GLU N N 4 121.091 121.091 122.040 -0.949 26045 12 1 1 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.034 0.040 26045 13 1 1 . 1 1 4 4 GLU C C 4 178.196 178.196 178.104 0.092 26045 14 1 1 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.824 -0.282 26045 15 1 1 . 1 1 4 4 GLU H H 4 8.177 8.177 8.654 -0.477 26045 16 1 1 . 1 1 5 5 ASP N N 5 119.768 119.768 119.593 0.175 26045 17 1 1 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.368 0.093 26045 18 1 1 . 1 1 5 5 ASP C C 5 178.273 178.273 178.299 -0.026 26045 19 1 1 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.070 -0.645 26045 20 1 1 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.484 -0.312 26045 21 1 1 . 1 1 5 5 ASP H H 5 8.064 8.064 8.598 -0.534 26045 22 1 1 . 1 1 6 6 LEU N N 6 121.053 121.053 119.958 1.095 26045 23 1 1 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.069 -0.041 26045 24 1 1 . 1 1 6 6 LEU C C 6 177.811 177.811 178.383 -0.572 26045 25 1 1 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.662 0.264 26045 26 1 1 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.911 -0.032 26045 27 1 1 . 1 1 6 6 LEU H H 6 7.785 7.785 7.747 0.038 26045 28 1 1 . 1 1 7 7 LYS N N 7 117.877 117.877 118.572 -0.695 26045 29 1 1 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.983 -0.188 26045 30 1 1 . 1 1 7 7 LYS C C 7 178.710 178.710 179.057 -0.347 26045 31 1 1 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.119 1.185 26045 32 1 1 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.093 0.192 26045 33 1 1 . 1 1 7 7 LYS H H 7 7.995 7.995 8.177 -0.182 26045 34 1 1 . 1 1 8 8 GLU N N 8 117.399 117.399 118.876 -1.477 26045 35 1 1 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.150 -0.053 26045 36 1 1 . 1 1 8 8 GLU C C 8 178.916 178.916 179.273 -0.357 26045 37 1 1 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.615 0.074 26045 38 1 1 . 1 1 8 8 GLU H H 8 7.760 7.760 8.173 -0.413 26045 39 1 1 . 1 1 9 9 ARG N N 9 120.362 120.362 119.941 0.421 26045 40 1 1 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.174 -0.116 26045 41 1 1 . 1 1 9 9 ARG C C 9 178.967 178.967 178.924 0.043 26045 42 1 1 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.870 0.459 26045 43 1 1 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.148 0.208 26045 44 1 1 . 1 1 9 9 ARG H H 9 7.996 7.996 7.588 0.408 26045 45 1 1 . 1 1 10 10 LEU N N 10 117.258 117.258 119.723 -2.465 26045 46 1 1 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.045 0.041 26045 47 1 1 . 1 1 10 10 LEU C C 10 177.566 177.566 178.591 -1.025 26045 48 1 1 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.908 -0.786 26045 49 1 1 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.262 0.124 26045 50 1 1 . 1 1 10 10 LEU H H 10 8.341 8.341 7.829 0.512 26045 51 1 1 . 1 1 11 11 LYS N N 11 119.034 119.034 117.584 1.450 26045 52 1 1 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.022 0.017 26045 53 1 1 . 1 1 11 11 LYS C C 11 178.736 178.736 179.023 -0.287 26045 54 1 1 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.463 -0.328 26045 55 1 1 . 1 1 11 11 LYS H H 11 7.707 7.707 7.423 0.284 26045 56 1 1 . 1 1 12 12 LYS N N 12 119.013 119.013 119.588 -0.575 26045 57 1 1 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.125 0.064 26045 58 1 1 . 1 1 12 12 LYS C C 12 178.960 178.960 179.310 -0.350 26045 59 1 1 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.346 -0.531 26045 60 1 1 . 1 1 12 12 LYS H H 12 7.709 7.709 7.753 -0.044 26045 61 1 1 . 1 1 13 13 LEU N N 13 119.078 119.078 117.683 1.395 26045 62 1 1 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.194 0.116 26045 63 1 1 . 1 1 13 13 LEU C C 13 177.606 177.606 177.333 0.273 26045 64 1 1 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.418 -0.000 26045 65 1 1 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.545 0.336 26045 66 1 1 . 1 1 13 13 LEU H H 13 7.705 7.705 7.944 -0.239 26045 67 1 1 . 1 1 14 14 GLY N N 14 108.342 108.342 107.346 0.996 26045 68 1 1 . 1 1 14 14 GLY C C 14 174.367 174.367 174.937 -0.570 26045 69 1 1 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.355 0.604 26045 70 1 1 . 1 1 14 14 GLY H H 14 8.107 8.107 7.549 0.558 26045 71 1 1 . 1 1 15 15 MET N N 15 119.054 119.054 116.873 2.181 26045 72 1 1 . 1 1 15 15 MET HA H 15 4.512 4.512 4.707 -0.195 26045 73 1 1 . 1 1 15 15 MET C C 15 175.916 175.916 176.078 -0.162 26045 74 1 1 . 1 1 15 15 MET CA C 15 55.467 55.467 55.121 0.346 26045 75 1 1 . 1 1 15 15 MET CB C 15 34.560 34.560 33.708 0.852 26045 76 1 1 . 1 1 15 15 MET H H 15 7.686 7.686 7.537 0.149 26045 77 1 1 . 1 1 16 16 SER N N 16 120.057 120.057 114.896 5.161 26045 78 1 1 . 1 1 16 16 SER HA H 16 4.400 4.400 4.438 -0.038 26045 79 1 1 . 1 1 16 16 SER C C 16 174.742 174.742 175.771 -1.029 26045 80 1 1 . 1 1 16 16 SER CA C 16 57.747 57.747 58.184 -0.437 26045 81 1 1 . 1 1 16 16 SER CB C 16 64.785 64.785 64.025 0.760 26045 82 1 1 . 1 1 16 16 SER H H 16 8.948 8.948 8.697 0.251 26045 83 1 1 . 1 1 17 17 GLU N N 17 123.142 123.142 124.881 -1.739 26045 84 1 1 . 1 1 17 17 GLU HA H 17 3.991 3.991 4.004 -0.013 26045 85 1 1 . 1 1 17 17 GLU C C 17 178.556 178.556 178.956 -0.400 26045 86 1 1 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.095 -0.385 26045 87 1 1 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.493 -0.267 26045 88 1 1 . 1 1 17 17 GLU H H 17 9.035 9.035 9.015 0.020 26045 89 1 1 . 1 1 18 18 GLU N N 18 118.705 118.705 120.320 -1.615 26045 90 1 1 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.142 -0.113 26045 91 1 1 . 1 1 18 18 GLU C C 18 179.173 179.173 178.991 0.182 26045 92 1 1 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.093 0.828 26045 93 1 1 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.562 -0.582 26045 94 1 1 . 1 1 18 18 GLU H H 18 8.790 8.790 8.689 0.101 26045 95 1 1 . 1 1 19 19 CYS N N 19 118.720 118.720 118.730 -0.010 26045 96 1 1 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.209 0.082 26045 97 1 1 . 1 1 19 19 CYS C C 19 176.295 176.295 177.283 -0.988 26045 98 1 1 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.224 -1.938 26045 99 1 1 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.361 14.014 26045 100 1 1 . 1 1 19 19 CYS H H 19 7.875 7.875 8.235 -0.360 26045 101 1 1 . 1 1 20 20 ARG N N 20 120.027 120.027 120.054 -0.027 26045 102 1 1 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.921 -0.067 26045 103 1 1 . 1 1 20 20 ARG C C 20 178.633 178.633 179.226 -0.593 26045 104 1 1 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.791 0.837 26045 105 1 1 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.768 0.083 26045 106 1 1 . 1 1 20 20 ARG H H 20 8.507 8.507 7.939 0.568 26045 107 1 1 . 1 1 21 21 GLN N N 21 117.558 117.558 117.651 -0.093 26045 108 1 1 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.045 -0.021 26045 109 1 1 . 1 1 21 21 GLN C C 21 179.122 179.122 178.760 0.362 26045 110 1 1 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.699 0.345 26045 111 1 1 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.302 -0.021 26045 112 1 1 . 1 1 21 21 GLN H H 21 8.379 8.379 7.996 0.383 26045 113 1 1 . 1 1 22 22 ARG N N 22 120.355 120.355 119.295 1.060 26045 114 1 1 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.043 0.016 26045 115 1 1 . 1 1 22 22 ARG C C 22 178.967 178.967 178.559 0.408 26045 116 1 1 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.479 -0.063 26045 117 1 1 . 1 1 22 22 ARG H H 22 7.859 7.859 7.748 0.111 26045 118 1 1 . 1 1 23 23 LEU N N 23 120.539 120.539 119.352 1.187 26045 119 1 1 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.073 -0.025 26045 120 1 1 . 1 1 23 23 LEU C C 23 178.890 178.890 178.902 -0.012 26045 121 1 1 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.913 0.106 26045 122 1 1 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.949 -0.521 26045 123 1 1 . 1 1 23 23 LEU H H 23 8.332 8.332 7.767 0.565 26045 124 1 1 . 1 1 24 24 GLU N N 24 119.377 119.377 117.872 1.505 26045 125 1 1 . 1 1 24 24 GLU HA H 24 3.858 3.858 4.031 -0.173 26045 126 1 1 . 1 1 24 24 GLU C C 24 178.762 178.762 178.563 0.199 26045 127 1 1 . 1 1 24 24 GLU CA C 24 59.962 59.962 58.793 1.169 26045 128 1 1 . 1 1 24 24 GLU H H 24 8.296 8.296 8.452 -0.156 26045 129 1 1 . 1 1 25 25 LYS N N 25 118.971 118.971 120.421 -1.450 26045 130 1 1 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.072 -0.018 26045 131 1 1 . 1 1 25 25 LYS C C 25 178.402 178.402 178.408 -0.006 26045 132 1 1 . 1 1 25 25 LYS CA C 25 59.370 59.370 58.777 0.593 26045 133 1 1 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.066 0.529 26045 134 1 1 . 1 1 25 25 LYS H H 25 7.637 7.637 7.584 0.053 26045 135 1 1 . 1 1 26 26 MET N N 26 117.688 117.688 117.691 -0.003 26045 136 1 1 . 1 1 26 26 MET HA H 26 4.199 4.199 4.262 -0.063 26045 137 1 1 . 1 1 26 26 MET C C 26 178.222 178.222 178.725 -0.503 26045 138 1 1 . 1 1 26 26 MET CA C 26 58.414 58.414 58.783 -0.369 26045 139 1 1 . 1 1 26 26 MET CB C 26 33.182 33.182 32.538 0.644 26045 140 1 1 . 1 1 26 26 MET H H 26 7.953 7.953 7.820 0.133 26045 141 1 1 . 1 1 27 27 CYS N N 27 117.669 117.669 117.415 0.254 26045 142 1 1 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.177 0.115 26045 143 1 1 . 1 1 27 27 CYS C C 27 176.218 176.218 176.230 -0.012 26045 144 1 1 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.800 -1.523 26045 145 1 1 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.177 14.125 26045 146 1 1 . 1 1 27 27 CYS H H 27 8.264 8.264 7.971 0.293 26045 147 1 1 . 1 1 28 28 LYS N N 28 120.893 120.893 118.967 1.926 26045 148 1 1 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.115 0.069 26045 149 1 1 . 1 1 28 28 LYS C C 28 177.862 177.862 178.198 -0.336 26045 150 1 1 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.756 -0.341 26045 151 1 1 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.657 0.439 26045 152 1 1 . 1 1 28 28 LYS H H 28 7.983 7.983 7.654 0.329 26045 153 1 1 . 1 1 29 29 GLU N N 29 117.203 117.203 117.692 -0.489 26045 154 1 1 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.272 0.092 26045 155 1 1 . 1 1 29 29 GLU C C 29 176.937 176.937 177.444 -0.507 26045 156 1 1 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.180 -0.397 26045 157 1 1 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.164 0.176 26045 158 1 1 . 1 1 29 29 GLU H H 29 8.110 8.110 7.732 0.378 26045 159 1 1 . 1 1 30 30 GLY N N 30 109.260 109.260 109.587 -0.327 26045 160 1 1 . 1 1 30 30 GLY C C 30 174.162 174.162 173.319 0.843 26045 161 1 1 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.209 1.287 26045 162 1 1 . 1 1 30 30 GLY H H 30 7.990 7.990 7.685 0.305 26045 163 1 1 . 1 1 31 31 THR N N 31 113.648 113.648 112.219 1.429 26045 164 1 1 . 1 1 31 31 THR HA H 31 4.594 4.594 4.459 0.135 26045 165 1 1 . 1 1 31 31 THR C C 31 175.035 175.035 175.913 -0.878 26045 166 1 1 . 1 1 31 31 THR CA C 31 60.974 60.974 61.651 -0.677 26045 167 1 1 . 1 1 31 31 THR CB C 31 70.524 70.524 70.227 0.297 26045 168 1 1 . 1 1 31 31 THR H H 31 8.257 8.257 8.052 0.205 26045 169 1 1 . 1 1 32 32 SER N N 32 118.066 118.066 121.708 -3.642 26045 170 1 1 . 1 1 32 32 SER HA H 32 4.360 4.360 4.084 0.276 26045 171 1 1 . 1 1 32 32 SER C C 32 175.472 175.472 176.535 -1.063 26045 172 1 1 . 1 1 32 32 SER CA C 32 59.857 59.857 61.492 -1.635 26045 173 1 1 . 1 1 32 32 SER CB C 32 63.485 63.485 62.689 0.796 26045 174 1 1 . 1 1 32 32 SER H H 32 8.633 8.633 8.963 -0.330 26045 175 1 1 . 1 1 33 33 GLU N N 33 122.577 122.577 121.185 1.392 26045 176 1 1 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.067 0.142 26045 177 1 1 . 1 1 33 33 GLU C C 33 177.528 177.528 178.809 -1.281 26045 178 1 1 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.381 -0.975 26045 179 1 1 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.297 0.491 26045 180 1 1 . 1 1 33 33 GLU H H 33 8.532 8.532 8.835 -0.303 26045 181 1 1 . 1 1 34 34 ASP N N 34 120.121 120.121 119.578 0.543 26045 182 1 1 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.506 -0.019 26045 183 1 1 . 1 1 34 34 ASP C C 34 177.605 177.605 177.796 -0.191 26045 184 1 1 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.349 -1.523 26045 185 1 1 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.418 0.561 26045 186 1 1 . 1 1 34 34 ASP H H 34 8.122 8.122 7.630 0.492 26045 187 1 1 . 1 1 35 35 ALA N N 35 123.997 123.997 123.146 0.851 26045 188 1 1 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.048 -0.039 26045 189 1 1 . 1 1 35 35 ALA C C 35 178.890 178.890 179.241 -0.351 26045 190 1 1 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.088 0.102 26045 191 1 1 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.563 0.256 26045 192 1 1 . 1 1 35 35 ALA H H 35 8.107 8.107 7.505 0.602 26045 193 1 1 . 1 1 36 36 GLU N N 36 117.393 117.393 117.108 0.285 26045 194 1 1 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.942 -0.025 26045 195 1 1 . 1 1 36 36 GLU C C 36 178.505 178.505 178.845 -0.340 26045 196 1 1 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.806 0.550 26045 197 1 1 . 1 1 36 36 GLU H H 36 8.353 8.353 8.396 -0.043 26045 198 1 1 . 1 1 37 37 ARG N N 37 118.853 118.853 120.111 -1.258 26045 199 1 1 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.127 -0.097 26045 200 1 1 . 1 1 37 37 ARG C C 37 178.556 178.556 178.897 -0.341 26045 201 1 1 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.460 0.245 26045 202 1 1 . 1 1 37 37 ARG CB C 37 30.225 30.225 29.710 0.515 26045 203 1 1 . 1 1 37 37 ARG H H 37 7.779 7.779 7.644 0.135 26045 204 1 1 . 1 1 38 38 MET N N 38 118.299 118.299 117.626 0.673 26045 205 1 1 . 1 1 38 38 MET HA H 38 4.231 4.231 4.381 -0.150 26045 206 1 1 . 1 1 38 38 MET C C 38 177.811 177.811 178.372 -0.561 26045 207 1 1 . 1 1 38 38 MET CA C 38 57.445 57.445 56.367 1.078 26045 208 1 1 . 1 1 38 38 MET CB C 38 32.313 32.313 31.464 0.849 26045 209 1 1 . 1 1 38 38 MET H H 38 7.960 7.960 7.869 0.091 26045 210 1 1 . 1 1 39 39 ALA N N 39 121.698 121.698 123.087 -1.389 26045 211 1 1 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.115 -0.052 26045 212 1 1 . 1 1 39 39 ALA C C 39 178.813 178.813 179.497 -0.684 26045 213 1 1 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.891 -0.411 26045 214 1 1 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.459 0.151 26045 215 1 1 . 1 1 39 39 ALA H H 39 8.125 8.125 7.855 0.270 26045 216 1 1 . 1 1 40 40 ARG N N 40 116.657 116.657 117.858 -1.201 26045 217 1 1 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.061 0.113 26045 218 1 1 . 1 1 40 40 ARG C C 40 177.220 177.220 178.784 -1.564 26045 219 1 1 . 1 1 40 40 ARG CA C 40 57.811 57.811 59.368 -1.557 26045 220 1 1 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.164 -0.043 26045 221 1 1 . 1 1 40 40 ARG H H 40 7.738 7.738 7.909 -0.171 26045 222 1 1 . 1 1 41 41 ASN N N 41 116.193 116.193 116.639 -0.446 26045 223 1 1 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.617 0.117 26045 224 1 1 . 1 1 41 41 ASN C C 41 175.369 175.369 176.436 -1.067 26045 225 1 1 . 1 1 41 41 ASN CA C 41 53.837 53.837 55.719 -1.883 26045 226 1 1 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.740 0.396 26045 227 1 1 . 1 1 41 41 ASN H H 41 7.896 7.896 7.819 0.077 26045 228 1 1 . 1 1 42 42 CYS N N 42 118.352 118.352 118.961 -0.609 26045 229 1 1 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.338 0.225 26045 230 1 1 . 1 1 42 42 CYS C C 42 174.213 174.213 176.138 -1.925 26045 231 1 1 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.571 -4.526 26045 232 1 1 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.865 13.854 26045 233 1 1 . 1 1 42 42 CYS H H 42 7.997 7.997 8.014 -0.017 26045 234 1 1 . 1 1 43 43 GLU N N 43 122.347 122.347 118.004 4.343 26045 235 1 1 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.647 -0.250 26045 236 1 1 . 1 1 43 43 GLU C C 43 175.369 175.369 175.990 -0.621 26045 237 1 1 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.499 0.209 26045 238 1 1 . 1 1 43 43 GLU H H 43 8.307 8.307 8.407 -0.100 26045 239 1 2 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.480 0.021 26045 240 1 2 . 1 1 2 2 PRO C C 2 178.016 178.016 176.455 1.561 26045 241 1 2 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.425 1.386 26045 242 1 2 . 1 1 2 2 PRO CB C 2 32.260 32.260 30.049 2.211 26045 243 1 2 . 1 1 3 3 CYS N N 3 117.098 117.098 118.580 -1.482 26045 244 1 2 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.090 0.420 26045 245 1 2 . 1 1 3 3 CYS C C 3 176.295 176.295 176.258 0.037 26045 246 1 2 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.696 -2.231 26045 247 1 2 . 1 1 3 3 CYS CB C 3 39.971 39.971 25.012 14.959 26045 248 1 2 . 1 1 3 3 CYS H H 3 9.130 9.130 8.592 0.538 26045 249 1 2 . 1 1 4 4 GLU N N 4 121.091 121.091 120.372 0.719 26045 250 1 2 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.121 -0.047 26045 251 1 2 . 1 1 4 4 GLU C C 4 178.196 178.196 178.225 -0.029 26045 252 1 2 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.012 0.530 26045 253 1 2 . 1 1 4 4 GLU H H 4 8.177 8.177 7.717 0.460 26045 254 1 2 . 1 1 5 5 ASP N N 5 119.768 119.768 120.521 -0.753 26045 255 1 2 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.359 0.102 26045 256 1 2 . 1 1 5 5 ASP C C 5 178.273 178.273 178.720 -0.447 26045 257 1 2 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.532 -1.107 26045 258 1 2 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.323 -0.151 26045 259 1 2 . 1 1 5 5 ASP H H 5 8.064 8.064 7.808 0.256 26045 260 1 2 . 1 1 6 6 LEU N N 6 121.053 121.053 119.418 1.635 26045 261 1 2 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.100 -0.072 26045 262 1 2 . 1 1 6 6 LEU C C 6 177.811 177.811 178.065 -0.254 26045 263 1 2 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.501 0.425 26045 264 1 2 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.048 -0.169 26045 265 1 2 . 1 1 6 6 LEU H H 6 7.785 7.785 8.031 -0.246 26045 266 1 2 . 1 1 7 7 LYS N N 7 117.877 117.877 119.706 -1.829 26045 267 1 2 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.969 -0.174 26045 268 1 2 . 1 1 7 7 LYS C C 7 178.710 178.710 178.766 -0.056 26045 269 1 2 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.520 0.784 26045 270 1 2 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.158 0.126 26045 271 1 2 . 1 1 7 7 LYS H H 7 7.995 7.995 7.551 0.444 26045 272 1 2 . 1 1 8 8 GLU N N 8 117.399 117.399 117.968 -0.569 26045 273 1 2 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.135 -0.038 26045 274 1 2 . 1 1 8 8 GLU C C 8 178.916 178.916 179.379 -0.463 26045 275 1 2 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.454 0.235 26045 276 1 2 . 1 1 8 8 GLU H H 8 7.760 7.760 8.025 -0.265 26045 277 1 2 . 1 1 9 9 ARG N N 9 120.362 120.362 120.141 0.221 26045 278 1 2 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.125 -0.067 26045 279 1 2 . 1 1 9 9 ARG C C 9 178.967 178.967 178.690 0.277 26045 280 1 2 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.994 0.335 26045 281 1 2 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.232 0.124 26045 282 1 2 . 1 1 9 9 ARG H H 9 7.996 7.996 7.400 0.596 26045 283 1 2 . 1 1 10 10 LEU N N 10 117.258 117.258 119.230 -1.972 26045 284 1 2 . 1 1 10 10 LEU HA H 10 4.086 4.086 3.984 0.102 26045 285 1 2 . 1 1 10 10 LEU C C 10 177.566 177.566 178.899 -1.333 26045 286 1 2 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.908 -0.786 26045 287 1 2 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.524 -0.138 26045 288 1 2 . 1 1 10 10 LEU H H 10 8.341 8.341 8.009 0.332 26045 289 1 2 . 1 1 11 11 LYS N N 11 119.034 119.034 116.414 2.620 26045 290 1 2 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.004 0.035 26045 291 1 2 . 1 1 11 11 LYS C C 11 178.736 178.736 178.365 0.371 26045 292 1 2 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.079 0.056 26045 293 1 2 . 1 1 11 11 LYS H H 11 7.707 7.707 7.879 -0.172 26045 294 1 2 . 1 1 12 12 LYS N N 12 119.013 119.013 119.473 -0.460 26045 295 1 2 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.164 0.024 26045 296 1 2 . 1 1 12 12 LYS C C 12 178.960 178.960 178.905 0.055 26045 297 1 2 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.095 -0.280 26045 298 1 2 . 1 1 12 12 LYS H H 12 7.709 7.709 7.421 0.288 26045 299 1 2 . 1 1 13 13 LEU N N 13 119.078 119.078 117.783 1.295 26045 300 1 2 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.163 0.147 26045 301 1 2 . 1 1 13 13 LEU C C 13 177.606 177.606 177.666 -0.060 26045 302 1 2 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.673 -0.255 26045 303 1 2 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.558 0.323 26045 304 1 2 . 1 1 13 13 LEU H H 13 7.705 7.705 8.101 -0.396 26045 305 1 2 . 1 1 14 14 GLY N N 14 108.342 108.342 107.359 0.983 26045 306 1 2 . 1 1 14 14 GLY C C 14 174.367 174.367 174.910 -0.543 26045 307 1 2 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.650 0.308 26045 308 1 2 . 1 1 14 14 GLY H H 14 8.107 8.107 7.651 0.456 26045 309 1 2 . 1 1 15 15 MET N N 15 119.054 119.054 116.247 2.807 26045 310 1 2 . 1 1 15 15 MET HA H 15 4.512 4.512 4.749 -0.237 26045 311 1 2 . 1 1 15 15 MET C C 15 175.916 175.916 176.047 -0.131 26045 312 1 2 . 1 1 15 15 MET CA C 15 55.467 55.467 55.162 0.305 26045 313 1 2 . 1 1 15 15 MET CB C 15 34.560 34.560 33.952 0.609 26045 314 1 2 . 1 1 15 15 MET H H 15 7.686 7.686 7.496 0.190 26045 315 1 2 . 1 1 16 16 SER N N 16 120.057 120.057 116.912 3.145 26045 316 1 2 . 1 1 16 16 SER HA H 16 4.400 4.400 4.382 0.018 26045 317 1 2 . 1 1 16 16 SER C C 16 174.742 174.742 175.850 -1.108 26045 318 1 2 . 1 1 16 16 SER CA C 16 57.747 57.747 58.520 -0.773 26045 319 1 2 . 1 1 16 16 SER CB C 16 64.785 64.785 63.788 0.997 26045 320 1 2 . 1 1 16 16 SER H H 16 8.948 8.948 8.413 0.535 26045 321 1 2 . 1 1 17 17 GLU N N 17 123.142 123.142 126.077 -2.935 26045 322 1 2 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.986 0.005 26045 323 1 2 . 1 1 17 17 GLU C C 17 178.556 178.556 178.540 0.016 26045 324 1 2 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.025 -0.315 26045 325 1 2 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.837 -0.611 26045 326 1 2 . 1 1 17 17 GLU H H 17 9.035 9.035 9.049 -0.014 26045 327 1 2 . 1 1 18 18 GLU N N 18 118.705 118.705 119.273 -0.568 26045 328 1 2 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.160 -0.131 26045 329 1 2 . 1 1 18 18 GLU C C 18 179.173 179.173 178.588 0.585 26045 330 1 2 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.066 0.855 26045 331 1 2 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.374 -0.394 26045 332 1 2 . 1 1 18 18 GLU H H 18 8.790 8.790 8.810 -0.020 26045 333 1 2 . 1 1 19 19 CYS N N 19 118.720 118.720 119.088 -0.368 26045 334 1 2 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.186 0.105 26045 335 1 2 . 1 1 19 19 CYS C C 19 176.295 176.295 177.290 -0.995 26045 336 1 2 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.520 -2.236 26045 337 1 2 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.329 14.046 26045 338 1 2 . 1 1 19 19 CYS H H 19 7.875 7.875 7.406 0.469 26045 339 1 2 . 1 1 20 20 ARG N N 20 120.027 120.027 119.748 0.279 26045 340 1 2 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.872 -0.018 26045 341 1 2 . 1 1 20 20 ARG C C 20 178.633 178.633 179.061 -0.428 26045 342 1 2 . 1 1 20 20 ARG CA C 20 60.628 60.628 60.064 0.564 26045 343 1 2 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.695 0.155 26045 344 1 2 . 1 1 20 20 ARG H H 20 8.507 8.507 7.756 0.751 26045 345 1 2 . 1 1 21 21 GLN N N 21 117.558 117.558 117.314 0.244 26045 346 1 2 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.028 -0.004 26045 347 1 2 . 1 1 21 21 GLN C C 21 179.122 179.122 179.003 0.119 26045 348 1 2 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.699 0.345 26045 349 1 2 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.414 -0.133 26045 350 1 2 . 1 1 21 21 GLN H H 21 8.379 8.379 7.680 0.699 26045 351 1 2 . 1 1 22 22 ARG N N 22 120.355 120.355 119.852 0.503 26045 352 1 2 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.110 -0.051 26045 353 1 2 . 1 1 22 22 ARG C C 22 178.967 178.967 178.915 0.052 26045 354 1 2 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.279 0.138 26045 355 1 2 . 1 1 22 22 ARG H H 22 7.859 7.859 7.747 0.112 26045 356 1 2 . 1 1 23 23 LEU N N 23 120.539 120.539 120.658 -0.119 26045 357 1 2 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.032 0.016 26045 358 1 2 . 1 1 23 23 LEU C C 23 178.890 178.890 178.843 0.047 26045 359 1 2 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.849 0.169 26045 360 1 2 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.787 -0.359 26045 361 1 2 . 1 1 23 23 LEU H H 23 8.332 8.332 8.025 0.307 26045 362 1 2 . 1 1 24 24 GLU N N 24 119.377 119.377 119.095 0.282 26045 363 1 2 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.897 -0.039 26045 364 1 2 . 1 1 24 24 GLU C C 24 178.762 178.762 178.851 -0.089 26045 365 1 2 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.742 0.220 26045 366 1 2 . 1 1 24 24 GLU H H 24 8.296 8.296 8.659 -0.363 26045 367 1 2 . 1 1 25 25 LYS N N 25 118.971 118.971 119.747 -0.776 26045 368 1 2 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.099 -0.045 26045 369 1 2 . 1 1 25 25 LYS C C 25 178.402 178.402 178.683 -0.281 26045 370 1 2 . 1 1 25 25 LYS CA C 25 59.370 59.370 58.875 0.495 26045 371 1 2 . 1 1 25 25 LYS CB C 25 32.595 32.595 31.912 0.683 26045 372 1 2 . 1 1 25 25 LYS H H 25 7.637 7.637 7.445 0.192 26045 373 1 2 . 1 1 26 26 MET N N 26 117.688 117.688 118.123 -0.435 26045 374 1 2 . 1 1 26 26 MET HA H 26 4.199 4.199 4.280 -0.081 26045 375 1 2 . 1 1 26 26 MET C C 26 178.222 178.222 178.424 -0.202 26045 376 1 2 . 1 1 26 26 MET CA C 26 58.414 58.414 57.813 0.601 26045 377 1 2 . 1 1 26 26 MET CB C 26 33.182 33.182 31.820 1.362 26045 378 1 2 . 1 1 26 26 MET H H 26 7.953 7.953 7.803 0.150 26045 379 1 2 . 1 1 27 27 CYS N N 27 117.669 117.669 118.680 -1.011 26045 380 1 2 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.084 0.208 26045 381 1 2 . 1 1 27 27 CYS C C 27 176.218 176.218 176.835 -0.617 26045 382 1 2 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.946 -2.669 26045 383 1 2 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.570 13.732 26045 384 1 2 . 1 1 27 27 CYS H H 27 8.264 8.264 8.128 0.136 26045 385 1 2 . 1 1 28 28 LYS N N 28 120.893 120.893 119.097 1.796 26045 386 1 2 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.163 0.021 26045 387 1 2 . 1 1 28 28 LYS C C 28 177.862 177.862 178.625 -0.763 26045 388 1 2 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.621 -0.206 26045 389 1 2 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.859 0.237 26045 390 1 2 . 1 1 28 28 LYS H H 28 7.983 7.983 7.724 0.259 26045 391 1 2 . 1 1 29 29 GLU N N 29 117.203 117.203 118.006 -0.803 26045 392 1 2 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.339 0.025 26045 393 1 2 . 1 1 29 29 GLU C C 29 176.937 176.937 176.194 0.743 26045 394 1 2 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.554 0.229 26045 395 1 2 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.055 0.285 26045 396 1 2 . 1 1 29 29 GLU H H 29 8.110 8.110 8.023 0.087 26045 397 1 2 . 1 1 30 30 GLY N N 30 109.260 109.260 109.535 -0.275 26045 398 1 2 . 1 1 30 30 GLY C C 30 174.162 174.162 173.388 0.774 26045 399 1 2 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.497 -0.001 26045 400 1 2 . 1 1 30 30 GLY H H 30 7.990 7.990 7.654 0.336 26045 401 1 2 . 1 1 31 31 THR N N 31 113.648 113.648 112.960 0.688 26045 402 1 2 . 1 1 31 31 THR HA H 31 4.594 4.594 4.636 -0.042 26045 403 1 2 . 1 1 31 31 THR C C 31 175.035 175.035 174.212 0.823 26045 404 1 2 . 1 1 31 31 THR CA C 31 60.974 60.974 60.952 0.022 26045 405 1 2 . 1 1 31 31 THR CB C 31 70.524 70.524 71.638 -1.114 26045 406 1 2 . 1 1 31 31 THR H H 31 8.257 8.257 7.913 0.344 26045 407 1 2 . 1 1 32 32 SER N N 32 118.066 118.066 118.793 -0.727 26045 408 1 2 . 1 1 32 32 SER HA H 32 4.360 4.360 4.168 0.192 26045 409 1 2 . 1 1 32 32 SER C C 32 175.472 175.472 175.931 -0.459 26045 410 1 2 . 1 1 32 32 SER CA C 32 59.857 59.857 60.908 -1.051 26045 411 1 2 . 1 1 32 32 SER CB C 32 63.485 63.485 63.339 0.146 26045 412 1 2 . 1 1 32 32 SER H H 32 8.633 8.633 8.864 -0.230 26045 413 1 2 . 1 1 33 33 GLU N N 33 122.577 122.577 120.930 1.647 26045 414 1 2 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.131 0.078 26045 415 1 2 . 1 1 33 33 GLU C C 33 177.528 177.528 177.804 -0.276 26045 416 1 2 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.319 -0.914 26045 417 1 2 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.324 0.464 26045 418 1 2 . 1 1 33 33 GLU H H 33 8.532 8.532 8.542 -0.010 26045 419 1 2 . 1 1 34 34 ASP N N 34 120.121 120.121 119.918 0.203 26045 420 1 2 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.525 -0.038 26045 421 1 2 . 1 1 34 34 ASP C C 34 177.605 177.605 177.947 -0.342 26045 422 1 2 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.881 -1.055 26045 423 1 2 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.978 0.001 26045 424 1 2 . 1 1 34 34 ASP H H 34 8.122 8.122 7.679 0.443 26045 425 1 2 . 1 1 35 35 ALA N N 35 123.997 123.997 122.504 1.493 26045 426 1 2 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.144 -0.135 26045 427 1 2 . 1 1 35 35 ALA C C 35 178.890 178.890 179.296 -0.406 26045 428 1 2 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.208 -0.018 26045 429 1 2 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.532 0.287 26045 430 1 2 . 1 1 35 35 ALA H H 35 8.107 8.107 7.738 0.369 26045 431 1 2 . 1 1 36 36 GLU N N 36 117.393 117.393 117.834 -0.441 26045 432 1 2 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.993 -0.076 26045 433 1 2 . 1 1 36 36 GLU C C 36 178.505 178.505 178.378 0.127 26045 434 1 2 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.674 0.682 26045 435 1 2 . 1 1 36 36 GLU H H 36 8.353 8.353 8.253 0.100 26045 436 1 2 . 1 1 37 37 ARG N N 37 118.853 118.853 121.067 -2.214 26045 437 1 2 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.063 -0.033 26045 438 1 2 . 1 1 37 37 ARG C C 37 178.556 178.556 178.216 0.340 26045 439 1 2 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.146 -0.441 26045 440 1 2 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.197 0.028 26045 441 1 2 . 1 1 37 37 ARG H H 37 7.779 7.779 7.645 0.134 26045 442 1 2 . 1 1 38 38 MET N N 38 118.299 118.299 114.906 3.393 26045 443 1 2 . 1 1 38 38 MET HA H 38 4.231 4.231 4.395 -0.164 26045 444 1 2 . 1 1 38 38 MET C C 38 177.811 177.811 177.072 0.739 26045 445 1 2 . 1 1 38 38 MET CA C 38 57.445 57.445 55.974 1.471 26045 446 1 2 . 1 1 38 38 MET CB C 38 32.313 32.313 32.252 0.061 26045 447 1 2 . 1 1 38 38 MET H H 38 7.960 7.960 7.885 0.075 26045 448 1 2 . 1 1 39 39 ALA N N 39 121.698 121.698 120.826 0.872 26045 449 1 2 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.133 -0.070 26045 450 1 2 . 1 1 39 39 ALA C C 39 178.813 178.813 180.297 -1.484 26045 451 1 2 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.262 0.218 26045 452 1 2 . 1 1 39 39 ALA CB C 39 18.610 18.610 19.095 -0.485 26045 453 1 2 . 1 1 39 39 ALA H H 39 8.125 8.125 7.664 0.461 26045 454 1 2 . 1 1 40 40 ARG N N 40 116.657 116.657 116.160 0.497 26045 455 1 2 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.360 -0.186 26045 456 1 2 . 1 1 40 40 ARG C C 40 177.220 177.220 176.345 0.875 26045 457 1 2 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.547 0.264 26045 458 1 2 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.245 -0.124 26045 459 1 2 . 1 1 40 40 ARG H H 40 7.738 7.738 7.961 -0.223 26045 460 1 2 . 1 1 41 41 ASN N N 41 116.193 116.193 115.050 1.143 26045 461 1 2 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.881 -0.147 26045 462 1 2 . 1 1 41 41 ASN C C 41 175.369 175.369 174.683 0.686 26045 463 1 2 . 1 1 41 41 ASN CA C 41 53.837 53.837 53.179 0.658 26045 464 1 2 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.962 -0.826 26045 465 1 2 . 1 1 41 41 ASN H H 41 7.896 7.896 7.950 -0.054 26045 466 1 2 . 1 1 42 42 CYS N N 42 118.352 118.352 119.366 -1.014 26045 467 1 2 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.316 0.247 26045 468 1 2 . 1 1 42 42 CYS C C 42 174.213 174.213 175.241 -1.028 26045 469 1 2 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.304 -4.259 26045 470 1 2 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.663 14.056 26045 471 1 2 . 1 1 42 42 CYS H H 42 7.997 7.997 7.717 0.280 26045 472 1 2 . 1 1 43 43 GLU N N 43 122.347 122.347 117.719 4.628 26045 473 1 2 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.331 0.066 26045 474 1 2 . 1 1 43 43 GLU C C 43 175.369 175.369 175.750 -0.381 26045 475 1 2 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.575 0.133 26045 476 1 2 . 1 1 43 43 GLU H H 43 8.307 8.307 8.773 -0.466 26045 477 1 3 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.422 0.079 26045 478 1 3 . 1 1 2 2 PRO C C 2 178.016 178.016 176.002 2.014 26045 479 1 3 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.401 1.410 26045 480 1 3 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.546 -0.286 26045 481 1 3 . 1 1 3 3 CYS N N 3 117.098 117.098 115.068 2.030 26045 482 1 3 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.776 -0.266 26045 483 1 3 . 1 1 3 3 CYS C C 3 176.295 176.295 175.291 1.004 26045 484 1 3 . 1 1 3 3 CYS CA C 3 57.465 57.465 57.959 -0.494 26045 485 1 3 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.142 12.829 26045 486 1 3 . 1 1 3 3 CYS H H 3 9.130 9.130 8.112 1.018 26045 487 1 3 . 1 1 4 4 GLU N N 4 121.091 121.091 121.624 -0.533 26045 488 1 3 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.097 -0.023 26045 489 1 3 . 1 1 4 4 GLU C C 4 178.196 178.196 178.053 0.143 26045 490 1 3 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.150 0.392 26045 491 1 3 . 1 1 4 4 GLU H H 4 8.177 8.177 8.912 -0.735 26045 492 1 3 . 1 1 5 5 ASP N N 5 119.768 119.768 119.482 0.286 26045 493 1 3 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.421 0.040 26045 494 1 3 . 1 1 5 5 ASP C C 5 178.273 178.273 178.089 0.184 26045 495 1 3 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.012 -0.587 26045 496 1 3 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.381 -0.209 26045 497 1 3 . 1 1 5 5 ASP H H 5 8.064 8.064 8.529 -0.465 26045 498 1 3 . 1 1 6 6 LEU N N 6 121.053 121.053 119.921 1.132 26045 499 1 3 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.073 -0.045 26045 500 1 3 . 1 1 6 6 LEU C C 6 177.811 177.811 178.236 -0.425 26045 501 1 3 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.937 -0.011 26045 502 1 3 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.969 -0.090 26045 503 1 3 . 1 1 6 6 LEU H H 6 7.785 7.785 7.727 0.058 26045 504 1 3 . 1 1 7 7 LYS N N 7 117.877 117.877 119.297 -1.420 26045 505 1 3 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.984 -0.189 26045 506 1 3 . 1 1 7 7 LYS C C 7 178.710 178.710 178.544 0.166 26045 507 1 3 . 1 1 7 7 LYS CA C 7 60.304 60.304 58.765 1.539 26045 508 1 3 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.100 0.184 26045 509 1 3 . 1 1 7 7 LYS H H 7 7.995 7.995 8.092 -0.097 26045 510 1 3 . 1 1 8 8 GLU N N 8 117.399 117.399 118.247 -0.848 26045 511 1 3 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.087 0.010 26045 512 1 3 . 1 1 8 8 GLU C C 8 178.916 178.916 179.027 -0.111 26045 513 1 3 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.299 -0.610 26045 514 1 3 . 1 1 8 8 GLU H H 8 7.760 7.760 8.256 -0.496 26045 515 1 3 . 1 1 9 9 ARG N N 9 120.362 120.362 120.171 0.191 26045 516 1 3 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.068 -0.010 26045 517 1 3 . 1 1 9 9 ARG C C 9 178.967 178.967 178.788 0.179 26045 518 1 3 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.076 0.253 26045 519 1 3 . 1 1 9 9 ARG CB C 9 30.356 30.356 29.813 0.543 26045 520 1 3 . 1 1 9 9 ARG H H 9 7.996 7.996 7.410 0.586 26045 521 1 3 . 1 1 10 10 LEU N N 10 117.258 117.258 119.011 -1.753 26045 522 1 3 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.032 0.054 26045 523 1 3 . 1 1 10 10 LEU C C 10 177.566 177.566 178.970 -1.404 26045 524 1 3 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.868 -0.746 26045 525 1 3 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.329 0.057 26045 526 1 3 . 1 1 10 10 LEU H H 10 8.341 8.341 7.707 0.634 26045 527 1 3 . 1 1 11 11 LYS N N 11 119.034 119.034 117.653 1.381 26045 528 1 3 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.056 -0.017 26045 529 1 3 . 1 1 11 11 LYS C C 11 178.736 178.736 179.024 -0.288 26045 530 1 3 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.313 -0.178 26045 531 1 3 . 1 1 11 11 LYS H H 11 7.707 7.707 7.705 0.002 26045 532 1 3 . 1 1 12 12 LYS N N 12 119.013 119.013 120.100 -1.087 26045 533 1 3 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.105 0.083 26045 534 1 3 . 1 1 12 12 LYS C C 12 178.960 178.960 179.323 -0.363 26045 535 1 3 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.720 -0.905 26045 536 1 3 . 1 1 12 12 LYS H H 12 7.709 7.709 7.725 -0.016 26045 537 1 3 . 1 1 13 13 LEU N N 13 119.078 119.078 116.694 2.384 26045 538 1 3 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.230 0.080 26045 539 1 3 . 1 1 13 13 LEU C C 13 177.606 177.606 177.240 0.366 26045 540 1 3 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.214 0.204 26045 541 1 3 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.676 0.205 26045 542 1 3 . 1 1 13 13 LEU H H 13 7.705 7.705 8.030 -0.325 26045 543 1 3 . 1 1 14 14 GLY N N 14 108.342 108.342 107.763 0.579 26045 544 1 3 . 1 1 14 14 GLY C C 14 174.367 174.367 174.673 -0.306 26045 545 1 3 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.305 0.653 26045 546 1 3 . 1 1 14 14 GLY H H 14 8.107 8.107 7.519 0.588 26045 547 1 3 . 1 1 15 15 MET N N 15 119.054 119.054 117.255 1.799 26045 548 1 3 . 1 1 15 15 MET HA H 15 4.512 4.512 4.647 -0.135 26045 549 1 3 . 1 1 15 15 MET C C 15 175.916 175.916 175.623 0.293 26045 550 1 3 . 1 1 15 15 MET CA C 15 55.467 55.467 54.901 0.566 26045 551 1 3 . 1 1 15 15 MET CB C 15 34.560 34.560 34.312 0.248 26045 552 1 3 . 1 1 15 15 MET H H 15 7.686 7.686 7.657 0.029 26045 553 1 3 . 1 1 16 16 SER N N 16 120.057 120.057 116.931 3.126 26045 554 1 3 . 1 1 16 16 SER HA H 16 4.400 4.400 4.455 -0.055 26045 555 1 3 . 1 1 16 16 SER C C 16 174.742 174.742 175.712 -0.970 26045 556 1 3 . 1 1 16 16 SER CA C 16 57.747 57.747 58.362 -0.615 26045 557 1 3 . 1 1 16 16 SER CB C 16 64.785 64.785 64.293 0.492 26045 558 1 3 . 1 1 16 16 SER H H 16 8.948 8.948 8.598 0.350 26045 559 1 3 . 1 1 17 17 GLU N N 17 123.142 123.142 125.091 -1.949 26045 560 1 3 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.909 0.082 26045 561 1 3 . 1 1 17 17 GLU C C 17 178.556 178.556 178.599 -0.043 26045 562 1 3 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.395 -0.685 26045 563 1 3 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.804 -0.578 26045 564 1 3 . 1 1 17 17 GLU H H 17 9.035 9.035 9.074 -0.039 26045 565 1 3 . 1 1 18 18 GLU N N 18 118.705 118.705 119.942 -1.237 26045 566 1 3 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.092 -0.063 26045 567 1 3 . 1 1 18 18 GLU C C 18 179.173 179.173 178.448 0.725 26045 568 1 3 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.300 0.621 26045 569 1 3 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.061 -0.081 26045 570 1 3 . 1 1 18 18 GLU H H 18 8.790 8.790 8.559 0.231 26045 571 1 3 . 1 1 19 19 CYS N N 19 118.720 118.720 118.396 0.324 26045 572 1 3 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.130 0.161 26045 573 1 3 . 1 1 19 19 CYS C C 19 176.295 176.295 177.464 -1.169 26045 574 1 3 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.005 -2.720 26045 575 1 3 . 1 1 19 19 CYS CB C 19 40.375 40.375 25.968 14.406 26045 576 1 3 . 1 1 19 19 CYS H H 19 7.875 7.875 8.358 -0.483 26045 577 1 3 . 1 1 20 20 ARG N N 20 120.027 120.027 119.794 0.233 26045 578 1 3 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.913 -0.059 26045 579 1 3 . 1 1 20 20 ARG C C 20 178.633 178.633 179.171 -0.538 26045 580 1 3 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.883 0.745 26045 581 1 3 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.797 0.054 26045 582 1 3 . 1 1 20 20 ARG H H 20 8.507 8.507 7.856 0.651 26045 583 1 3 . 1 1 21 21 GLN N N 21 117.558 117.558 117.399 0.159 26045 584 1 3 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.045 -0.021 26045 585 1 3 . 1 1 21 21 GLN C C 21 179.122 179.122 179.037 0.085 26045 586 1 3 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.668 0.376 26045 587 1 3 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.441 -0.160 26045 588 1 3 . 1 1 21 21 GLN H H 21 8.379 8.379 7.813 0.566 26045 589 1 3 . 1 1 22 22 ARG N N 22 120.355 120.355 119.548 0.807 26045 590 1 3 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.088 -0.029 26045 591 1 3 . 1 1 22 22 ARG C C 22 178.967 178.967 178.659 0.308 26045 592 1 3 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.632 -0.216 26045 593 1 3 . 1 1 22 22 ARG H H 22 7.859 7.859 7.873 -0.014 26045 594 1 3 . 1 1 23 23 LEU N N 23 120.539 120.539 119.818 0.721 26045 595 1 3 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.014 0.034 26045 596 1 3 . 1 1 23 23 LEU C C 23 178.890 178.890 178.916 -0.026 26045 597 1 3 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.693 0.325 26045 598 1 3 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.585 -0.157 26045 599 1 3 . 1 1 23 23 LEU H H 23 8.332 8.332 7.372 0.960 26045 600 1 3 . 1 1 24 24 GLU N N 24 119.377 119.377 118.935 0.442 26045 601 1 3 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.929 -0.072 26045 602 1 3 . 1 1 24 24 GLU C C 24 178.762 178.762 178.875 -0.113 26045 603 1 3 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.477 0.485 26045 604 1 3 . 1 1 24 24 GLU H H 24 8.296 8.296 8.565 -0.269 26045 605 1 3 . 1 1 25 25 LYS N N 25 118.971 118.971 119.851 -0.880 26045 606 1 3 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.073 -0.019 26045 607 1 3 . 1 1 25 25 LYS C C 25 178.402 178.402 179.044 -0.642 26045 608 1 3 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.225 0.145 26045 609 1 3 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.295 0.300 26045 610 1 3 . 1 1 25 25 LYS H H 25 7.637 7.637 7.378 0.259 26045 611 1 3 . 1 1 26 26 MET N N 26 117.688 117.688 118.265 -0.577 26045 612 1 3 . 1 1 26 26 MET HA H 26 4.199 4.199 4.226 -0.027 26045 613 1 3 . 1 1 26 26 MET C C 26 178.222 178.222 177.907 0.315 26045 614 1 3 . 1 1 26 26 MET CA C 26 58.414 58.414 58.721 -0.307 26045 615 1 3 . 1 1 26 26 MET CB C 26 33.182 33.182 32.641 0.541 26045 616 1 3 . 1 1 26 26 MET H H 26 7.953 7.953 7.821 0.132 26045 617 1 3 . 1 1 27 27 CYS N N 27 117.669 117.669 118.494 -0.825 26045 618 1 3 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.253 0.039 26045 619 1 3 . 1 1 27 27 CYS C C 27 176.218 176.218 176.945 -0.727 26045 620 1 3 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.778 -2.501 26045 621 1 3 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.590 13.712 26045 622 1 3 . 1 1 27 27 CYS H H 27 8.264 8.264 7.993 0.271 26045 623 1 3 . 1 1 28 28 LYS N N 28 120.893 120.893 118.116 2.777 26045 624 1 3 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.205 -0.021 26045 625 1 3 . 1 1 28 28 LYS C C 28 177.862 177.862 178.367 -0.505 26045 626 1 3 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.231 0.184 26045 627 1 3 . 1 1 28 28 LYS CB C 28 33.096 33.096 33.041 0.056 26045 628 1 3 . 1 1 28 28 LYS H H 28 7.983 7.983 8.066 -0.083 26045 629 1 3 . 1 1 29 29 GLU N N 29 117.203 117.203 120.978 -3.775 26045 630 1 3 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.461 -0.097 26045 631 1 3 . 1 1 29 29 GLU C C 29 176.937 176.937 175.625 1.312 26045 632 1 3 . 1 1 29 29 GLU CA C 29 56.783 56.783 55.116 1.667 26045 633 1 3 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.201 1.139 26045 634 1 3 . 1 1 29 29 GLU H H 29 8.110 8.110 7.971 0.139 26045 635 1 3 . 1 1 30 30 GLY N N 30 109.260 109.260 109.374 -0.114 26045 636 1 3 . 1 1 30 30 GLY C C 30 174.162 174.162 172.985 1.177 26045 637 1 3 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.991 0.505 26045 638 1 3 . 1 1 30 30 GLY H H 30 7.990 7.990 7.679 0.311 26045 639 1 3 . 1 1 31 31 THR N N 31 113.648 113.648 114.980 -1.332 26045 640 1 3 . 1 1 31 31 THR HA H 31 4.594 4.594 4.834 -0.240 26045 641 1 3 . 1 1 31 31 THR C C 31 175.035 175.035 175.515 -0.480 26045 642 1 3 . 1 1 31 31 THR CA C 31 60.974 60.974 60.326 0.648 26045 643 1 3 . 1 1 31 31 THR CB C 31 70.524 70.524 71.498 -0.974 26045 644 1 3 . 1 1 31 31 THR H H 31 8.257 8.257 8.013 0.244 26045 645 1 3 . 1 1 32 32 SER N N 32 118.066 118.066 118.460 -0.394 26045 646 1 3 . 1 1 32 32 SER HA H 32 4.360 4.360 4.156 0.204 26045 647 1 3 . 1 1 32 32 SER C C 32 175.472 175.472 176.005 -0.533 26045 648 1 3 . 1 1 32 32 SER CA C 32 59.857 59.857 61.079 -1.222 26045 649 1 3 . 1 1 32 32 SER CB C 32 63.485 63.485 63.357 0.128 26045 650 1 3 . 1 1 32 32 SER H H 32 8.633 8.633 8.926 -0.293 26045 651 1 3 . 1 1 33 33 GLU N N 33 122.577 122.577 123.342 -0.765 26045 652 1 3 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.068 0.141 26045 653 1 3 . 1 1 33 33 GLU C C 33 177.528 177.528 177.939 -0.411 26045 654 1 3 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.384 -0.978 26045 655 1 3 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.215 0.573 26045 656 1 3 . 1 1 33 33 GLU H H 33 8.532 8.532 8.390 0.142 26045 657 1 3 . 1 1 34 34 ASP N N 34 120.121 120.121 119.301 0.820 26045 658 1 3 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.557 -0.070 26045 659 1 3 . 1 1 34 34 ASP C C 34 177.605 177.605 178.068 -0.463 26045 660 1 3 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.746 -0.920 26045 661 1 3 . 1 1 34 34 ASP CB C 34 40.979 40.979 41.008 -0.029 26045 662 1 3 . 1 1 34 34 ASP H H 34 8.122 8.122 7.752 0.370 26045 663 1 3 . 1 1 35 35 ALA N N 35 123.997 123.997 123.103 0.894 26045 664 1 3 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.100 -0.091 26045 665 1 3 . 1 1 35 35 ALA C C 35 178.890 178.890 179.035 -0.145 26045 666 1 3 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.010 0.180 26045 667 1 3 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.605 0.214 26045 668 1 3 . 1 1 35 35 ALA H H 35 8.107 8.107 7.639 0.468 26045 669 1 3 . 1 1 36 36 GLU N N 36 117.393 117.393 117.265 0.128 26045 670 1 3 . 1 1 36 36 GLU HA H 36 3.917 3.917 4.019 -0.102 26045 671 1 3 . 1 1 36 36 GLU C C 36 178.505 178.505 179.046 -0.541 26045 672 1 3 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.599 0.757 26045 673 1 3 . 1 1 36 36 GLU H H 36 8.353 8.353 8.252 0.101 26045 674 1 3 . 1 1 37 37 ARG N N 37 118.853 118.853 120.599 -1.746 26045 675 1 3 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.056 -0.026 26045 676 1 3 . 1 1 37 37 ARG C C 37 178.556 178.556 178.946 -0.390 26045 677 1 3 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.134 -0.429 26045 678 1 3 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.163 0.062 26045 679 1 3 . 1 1 37 37 ARG H H 37 7.779 7.779 7.621 0.158 26045 680 1 3 . 1 1 38 38 MET N N 38 118.299 118.299 117.079 1.220 26045 681 1 3 . 1 1 38 38 MET HA H 38 4.231 4.231 4.342 -0.111 26045 682 1 3 . 1 1 38 38 MET C C 38 177.811 177.811 178.275 -0.464 26045 683 1 3 . 1 1 38 38 MET CA C 38 57.445 57.445 56.698 0.747 26045 684 1 3 . 1 1 38 38 MET CB C 38 32.313 32.313 31.776 0.537 26045 685 1 3 . 1 1 38 38 MET H H 38 7.960 7.960 8.121 -0.161 26045 686 1 3 . 1 1 39 39 ALA N N 39 121.698 121.698 122.549 -0.851 26045 687 1 3 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.089 -0.026 26045 688 1 3 . 1 1 39 39 ALA C C 39 178.813 178.813 179.247 -0.434 26045 689 1 3 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.070 -0.590 26045 690 1 3 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.554 0.056 26045 691 1 3 . 1 1 39 39 ALA H H 39 8.125 8.125 7.924 0.201 26045 692 1 3 . 1 1 40 40 ARG N N 40 116.657 116.657 115.922 0.735 26045 693 1 3 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.175 -0.001 26045 694 1 3 . 1 1 40 40 ARG C C 40 177.220 177.220 177.605 -0.385 26045 695 1 3 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.438 -0.627 26045 696 1 3 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.229 -0.108 26045 697 1 3 . 1 1 40 40 ARG H H 40 7.738 7.738 7.875 -0.137 26045 698 1 3 . 1 1 41 41 ASN N N 41 116.193 116.193 115.789 0.404 26045 699 1 3 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.748 -0.014 26045 700 1 3 . 1 1 41 41 ASN C C 41 175.369 175.369 175.722 -0.353 26045 701 1 3 . 1 1 41 41 ASN CA C 41 53.837 53.837 54.359 -0.522 26045 702 1 3 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.653 -0.517 26045 703 1 3 . 1 1 41 41 ASN H H 41 7.896 7.896 7.710 0.186 26045 704 1 3 . 1 1 42 42 CYS N N 42 118.352 118.352 119.749 -1.397 26045 705 1 3 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.300 0.263 26045 706 1 3 . 1 1 42 42 CYS C C 42 174.213 174.213 175.890 -1.677 26045 707 1 3 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.183 -4.138 26045 708 1 3 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.803 13.916 26045 709 1 3 . 1 1 42 42 CYS H H 42 7.997 7.997 8.199 -0.202 26045 710 1 3 . 1 1 43 43 GLU N N 43 122.347 122.347 117.239 5.108 26045 711 1 3 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.450 -0.053 26045 712 1 3 . 1 1 43 43 GLU C C 43 175.369 175.369 176.177 -0.808 26045 713 1 3 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.459 0.249 26045 714 1 3 . 1 1 43 43 GLU H H 43 8.307 8.307 8.068 0.239 26045 715 1 4 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.332 0.169 26045 716 1 4 . 1 1 2 2 PRO C C 2 178.016 178.016 176.178 1.838 26045 717 1 4 . 1 1 2 2 PRO CA C 2 64.811 64.811 64.106 0.705 26045 718 1 4 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.539 -0.279 26045 719 1 4 . 1 1 3 3 CYS N N 3 117.098 117.098 116.994 0.104 26045 720 1 4 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.922 -0.412 26045 721 1 4 . 1 1 3 3 CYS C C 3 176.295 176.295 175.438 0.857 26045 722 1 4 . 1 1 3 3 CYS CA C 3 57.465 57.465 57.390 0.075 26045 723 1 4 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.734 12.237 26045 724 1 4 . 1 1 3 3 CYS H H 3 9.130 9.130 8.192 0.938 26045 725 1 4 . 1 1 4 4 GLU N N 4 121.091 121.091 122.387 -1.296 26045 726 1 4 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.037 0.037 26045 727 1 4 . 1 1 4 4 GLU C C 4 178.196 178.196 178.119 0.077 26045 728 1 4 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.425 0.117 26045 729 1 4 . 1 1 4 4 GLU H H 4 8.177 8.177 8.378 -0.201 26045 730 1 4 . 1 1 5 5 ASP N N 5 119.768 119.768 120.272 -0.504 26045 731 1 4 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.396 0.065 26045 732 1 4 . 1 1 5 5 ASP C C 5 178.273 178.273 178.343 -0.070 26045 733 1 4 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.004 -0.579 26045 734 1 4 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.422 -0.250 26045 735 1 4 . 1 1 5 5 ASP H H 5 8.064 8.064 8.349 -0.285 26045 736 1 4 . 1 1 6 6 LEU N N 6 121.053 121.053 119.400 1.653 26045 737 1 4 . 1 1 6 6 LEU HA H 6 4.028 4.028 3.992 0.036 26045 738 1 4 . 1 1 6 6 LEU C C 6 177.811 177.811 178.370 -0.559 26045 739 1 4 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.944 -0.018 26045 740 1 4 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.045 -0.166 26045 741 1 4 . 1 1 6 6 LEU H H 6 7.785 7.785 8.150 -0.365 26045 742 1 4 . 1 1 7 7 LYS N N 7 117.877 117.877 118.792 -0.915 26045 743 1 4 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.943 -0.148 26045 744 1 4 . 1 1 7 7 LYS C C 7 178.710 178.710 178.685 0.025 26045 745 1 4 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.464 0.840 26045 746 1 4 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.269 0.015 26045 747 1 4 . 1 1 7 7 LYS H H 7 7.995 7.995 7.774 0.221 26045 748 1 4 . 1 1 8 8 GLU N N 8 117.399 117.399 118.724 -1.325 26045 749 1 4 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.087 0.010 26045 750 1 4 . 1 1 8 8 GLU C C 8 178.916 178.916 179.319 -0.403 26045 751 1 4 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.963 -0.274 26045 752 1 4 . 1 1 8 8 GLU H H 8 7.760 7.760 8.096 -0.336 26045 753 1 4 . 1 1 9 9 ARG N N 9 120.362 120.362 119.558 0.804 26045 754 1 4 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.149 -0.091 26045 755 1 4 . 1 1 9 9 ARG C C 9 178.967 178.967 178.998 -0.031 26045 756 1 4 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.832 0.497 26045 757 1 4 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.090 0.266 26045 758 1 4 . 1 1 9 9 ARG H H 9 7.996 7.996 7.611 0.385 26045 759 1 4 . 1 1 10 10 LEU N N 10 117.258 117.258 119.610 -2.352 26045 760 1 4 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.040 0.046 26045 761 1 4 . 1 1 10 10 LEU C C 10 177.566 177.566 178.601 -1.035 26045 762 1 4 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.794 -0.672 26045 763 1 4 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.587 -0.202 26045 764 1 4 . 1 1 10 10 LEU H H 10 8.341 8.341 7.871 0.470 26045 765 1 4 . 1 1 11 11 LYS N N 11 119.034 119.034 115.468 3.566 26045 766 1 4 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.077 -0.038 26045 767 1 4 . 1 1 11 11 LYS C C 11 178.736 178.736 178.156 0.580 26045 768 1 4 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.601 0.534 26045 769 1 4 . 1 1 11 11 LYS H H 11 7.707 7.707 7.461 0.246 26045 770 1 4 . 1 1 12 12 LYS N N 12 119.013 119.013 119.076 -0.063 26045 771 1 4 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.151 0.037 26045 772 1 4 . 1 1 12 12 LYS C C 12 178.960 178.960 178.351 0.609 26045 773 1 4 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.241 -0.426 26045 774 1 4 . 1 1 12 12 LYS H H 12 7.709 7.709 7.553 0.156 26045 775 1 4 . 1 1 13 13 LEU N N 13 119.078 119.078 117.721 1.357 26045 776 1 4 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.275 0.035 26045 777 1 4 . 1 1 13 13 LEU C C 13 177.606 177.606 177.327 0.279 26045 778 1 4 . 1 1 13 13 LEU CA C 13 55.418 55.418 54.980 0.438 26045 779 1 4 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.495 0.386 26045 780 1 4 . 1 1 13 13 LEU H H 13 7.705 7.705 7.747 -0.042 26045 781 1 4 . 1 1 14 14 GLY N N 14 108.342 108.342 107.393 0.949 26045 782 1 4 . 1 1 14 14 GLY C C 14 174.367 174.367 174.911 -0.544 26045 783 1 4 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.668 0.290 26045 784 1 4 . 1 1 14 14 GLY H H 14 8.107 8.107 7.461 0.646 26045 785 1 4 . 1 1 15 15 MET N N 15 119.054 119.054 115.502 3.552 26045 786 1 4 . 1 1 15 15 MET HA H 15 4.512 4.512 4.768 -0.256 26045 787 1 4 . 1 1 15 15 MET C C 15 175.916 175.916 175.793 0.123 26045 788 1 4 . 1 1 15 15 MET CA C 15 55.467 55.467 55.351 0.116 26045 789 1 4 . 1 1 15 15 MET CB C 15 34.560 34.560 33.834 0.726 26045 790 1 4 . 1 1 15 15 MET H H 15 7.686 7.686 7.533 0.153 26045 791 1 4 . 1 1 16 16 SER N N 16 120.057 120.057 114.593 5.464 26045 792 1 4 . 1 1 16 16 SER HA H 16 4.400 4.400 4.359 0.041 26045 793 1 4 . 1 1 16 16 SER C C 16 174.742 174.742 175.340 -0.598 26045 794 1 4 . 1 1 16 16 SER CA C 16 57.747 57.747 59.284 -1.537 26045 795 1 4 . 1 1 16 16 SER CB C 16 64.785 64.785 64.066 0.719 26045 796 1 4 . 1 1 16 16 SER H H 16 8.948 8.948 8.863 0.085 26045 797 1 4 . 1 1 17 17 GLU N N 17 123.142 123.142 122.809 0.333 26045 798 1 4 . 1 1 17 17 GLU HA H 17 3.991 3.991 4.044 -0.053 26045 799 1 4 . 1 1 17 17 GLU C C 17 178.556 178.556 178.786 -0.230 26045 800 1 4 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.320 0.390 26045 801 1 4 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.637 -0.411 26045 802 1 4 . 1 1 17 17 GLU H H 17 9.035 9.035 8.983 0.052 26045 803 1 4 . 1 1 18 18 GLU N N 18 118.705 118.705 120.055 -1.350 26045 804 1 4 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.198 -0.169 26045 805 1 4 . 1 1 18 18 GLU C C 18 179.173 179.173 178.515 0.658 26045 806 1 4 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.113 0.808 26045 807 1 4 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.751 -0.771 26045 808 1 4 . 1 1 18 18 GLU H H 18 8.790 8.790 8.681 0.109 26045 809 1 4 . 1 1 19 19 CYS N N 19 118.720 118.720 119.179 -0.459 26045 810 1 4 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.357 -0.066 26045 811 1 4 . 1 1 19 19 CYS C C 19 176.295 176.295 177.444 -1.149 26045 812 1 4 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.699 -2.414 26045 813 1 4 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.207 14.168 26045 814 1 4 . 1 1 19 19 CYS H H 19 7.875 7.875 8.315 -0.440 26045 815 1 4 . 1 1 20 20 ARG N N 20 120.027 120.027 119.229 0.798 26045 816 1 4 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.087 -0.233 26045 817 1 4 . 1 1 20 20 ARG C C 20 178.633 178.633 179.081 -0.448 26045 818 1 4 . 1 1 20 20 ARG CA C 20 60.628 60.628 58.483 2.145 26045 819 1 4 . 1 1 20 20 ARG CB C 20 29.851 29.851 28.243 1.608 26045 820 1 4 . 1 1 20 20 ARG H H 20 8.507 8.507 7.949 0.558 26045 821 1 4 . 1 1 21 21 GLN N N 21 117.558 117.558 119.241 -1.683 26045 822 1 4 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.101 -0.077 26045 823 1 4 . 1 1 21 21 GLN C C 21 179.122 179.122 178.823 0.299 26045 824 1 4 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.638 0.406 26045 825 1 4 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.398 -0.117 26045 826 1 4 . 1 1 21 21 GLN H H 21 8.379 8.379 7.809 0.570 26045 827 1 4 . 1 1 22 22 ARG N N 22 120.355 120.355 120.590 -0.235 26045 828 1 4 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.079 -0.020 26045 829 1 4 . 1 1 22 22 ARG C C 22 178.967 178.967 178.809 0.158 26045 830 1 4 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.604 -0.188 26045 831 1 4 . 1 1 22 22 ARG H H 22 7.859 7.859 8.124 -0.265 26045 832 1 4 . 1 1 23 23 LEU N N 23 120.539 120.539 119.491 1.048 26045 833 1 4 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.033 0.015 26045 834 1 4 . 1 1 23 23 LEU C C 23 178.890 178.890 178.810 0.080 26045 835 1 4 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.743 0.275 26045 836 1 4 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.662 -0.234 26045 837 1 4 . 1 1 23 23 LEU H H 23 8.332 8.332 8.136 0.196 26045 838 1 4 . 1 1 24 24 GLU N N 24 119.377 119.377 118.306 1.071 26045 839 1 4 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.944 -0.086 26045 840 1 4 . 1 1 24 24 GLU C C 24 178.762 178.762 178.602 0.160 26045 841 1 4 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.656 0.306 26045 842 1 4 . 1 1 24 24 GLU H H 24 8.296 8.296 8.153 0.143 26045 843 1 4 . 1 1 25 25 LYS N N 25 118.971 118.971 120.112 -1.141 26045 844 1 4 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.099 -0.045 26045 845 1 4 . 1 1 25 25 LYS C C 25 178.402 178.402 179.058 -0.656 26045 846 1 4 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.168 0.202 26045 847 1 4 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.345 0.250 26045 848 1 4 . 1 1 25 25 LYS H H 25 7.637 7.637 7.290 0.347 26045 849 1 4 . 1 1 26 26 MET N N 26 117.688 117.688 117.771 -0.083 26045 850 1 4 . 1 1 26 26 MET HA H 26 4.199 4.199 4.290 -0.092 26045 851 1 4 . 1 1 26 26 MET C C 26 178.222 178.222 178.282 -0.060 26045 852 1 4 . 1 1 26 26 MET CA C 26 58.414 58.414 57.268 1.146 26045 853 1 4 . 1 1 26 26 MET CB C 26 33.182 33.182 31.438 1.744 26045 854 1 4 . 1 1 26 26 MET H H 26 7.953 7.953 8.306 -0.353 26045 855 1 4 . 1 1 27 27 CYS N N 27 117.669 117.669 118.993 -1.324 26045 856 1 4 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.254 0.038 26045 857 1 4 . 1 1 27 27 CYS C C 27 176.218 176.218 176.704 -0.486 26045 858 1 4 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.848 -2.571 26045 859 1 4 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.506 13.796 26045 860 1 4 . 1 1 27 27 CYS H H 27 8.264 8.264 7.961 0.303 26045 861 1 4 . 1 1 28 28 LYS N N 28 120.893 120.893 118.306 2.587 26045 862 1 4 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.250 -0.066 26045 863 1 4 . 1 1 28 28 LYS C C 28 177.862 177.862 178.678 -0.816 26045 864 1 4 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.437 -0.022 26045 865 1 4 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.956 0.140 26045 866 1 4 . 1 1 28 28 LYS H H 28 7.983 7.983 7.628 0.355 26045 867 1 4 . 1 1 29 29 GLU N N 29 117.203 117.203 118.014 -0.811 26045 868 1 4 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.319 0.045 26045 869 1 4 . 1 1 29 29 GLU C C 29 176.937 176.937 176.537 0.400 26045 870 1 4 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.247 -0.464 26045 871 1 4 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.053 0.287 26045 872 1 4 . 1 1 29 29 GLU H H 29 8.110 8.110 8.060 0.050 26045 873 1 4 . 1 1 30 30 GLY N N 30 109.260 109.260 108.817 0.443 26045 874 1 4 . 1 1 30 30 GLY C C 30 174.162 174.162 173.694 0.468 26045 875 1 4 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.091 0.405 26045 876 1 4 . 1 1 30 30 GLY H H 30 7.990 7.990 7.669 0.321 26045 877 1 4 . 1 1 31 31 THR N N 31 113.648 113.648 114.002 -0.354 26045 878 1 4 . 1 1 31 31 THR HA H 31 4.594 4.594 4.634 -0.040 26045 879 1 4 . 1 1 31 31 THR C C 31 175.035 175.035 174.563 0.472 26045 880 1 4 . 1 1 31 31 THR CA C 31 60.974 60.974 60.862 0.112 26045 881 1 4 . 1 1 31 31 THR CB C 31 70.524 70.524 71.986 -1.462 26045 882 1 4 . 1 1 31 31 THR H H 31 8.257 8.257 8.083 0.174 26045 883 1 4 . 1 1 32 32 SER N N 32 118.066 118.066 118.708 -0.642 26045 884 1 4 . 1 1 32 32 SER HA H 32 4.360 4.360 4.090 0.270 26045 885 1 4 . 1 1 32 32 SER C C 32 175.472 175.472 176.045 -0.573 26045 886 1 4 . 1 1 32 32 SER CA C 32 59.857 59.857 61.516 -1.659 26045 887 1 4 . 1 1 32 32 SER CB C 32 63.485 63.485 63.340 0.145 26045 888 1 4 . 1 1 32 32 SER H H 32 8.633 8.633 8.868 -0.235 26045 889 1 4 . 1 1 33 33 GLU N N 33 122.577 122.577 120.870 1.707 26045 890 1 4 . 1 1 33 33 GLU HA H 33 4.209 4.209 3.989 0.220 26045 891 1 4 . 1 1 33 33 GLU C C 33 177.528 177.528 178.458 -0.930 26045 892 1 4 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.331 -0.925 26045 893 1 4 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.139 0.649 26045 894 1 4 . 1 1 33 33 GLU H H 33 8.532 8.532 8.582 -0.050 26045 895 1 4 . 1 1 34 34 ASP N N 34 120.121 120.121 119.202 0.919 26045 896 1 4 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.456 0.031 26045 897 1 4 . 1 1 34 34 ASP C C 34 177.605 177.605 178.008 -0.403 26045 898 1 4 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.826 -1.000 26045 899 1 4 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.952 0.027 26045 900 1 4 . 1 1 34 34 ASP H H 34 8.122 8.122 7.647 0.475 26045 901 1 4 . 1 1 35 35 ALA N N 35 123.997 123.997 121.537 2.460 26045 902 1 4 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.093 -0.084 26045 903 1 4 . 1 1 35 35 ALA C C 35 178.890 178.890 179.735 -0.845 26045 904 1 4 . 1 1 35 35 ALA CA C 35 55.190 55.190 54.957 0.233 26045 905 1 4 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.527 0.291 26045 906 1 4 . 1 1 35 35 ALA H H 35 8.107 8.107 7.591 0.516 26045 907 1 4 . 1 1 36 36 GLU N N 36 117.393 117.393 117.093 0.300 26045 908 1 4 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.994 -0.077 26045 909 1 4 . 1 1 36 36 GLU C C 36 178.505 178.505 178.663 -0.158 26045 910 1 4 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.716 0.640 26045 911 1 4 . 1 1 36 36 GLU H H 36 8.353 8.353 8.475 -0.122 26045 912 1 4 . 1 1 37 37 ARG N N 37 118.853 118.853 119.628 -0.775 26045 913 1 4 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.136 -0.106 26045 914 1 4 . 1 1 37 37 ARG C C 37 178.556 178.556 178.826 -0.270 26045 915 1 4 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.610 0.095 26045 916 1 4 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.209 0.016 26045 917 1 4 . 1 1 37 37 ARG H H 37 7.779 7.779 7.503 0.276 26045 918 1 4 . 1 1 38 38 MET N N 38 118.299 118.299 116.873 1.426 26045 919 1 4 . 1 1 38 38 MET HA H 38 4.231 4.231 4.402 -0.171 26045 920 1 4 . 1 1 38 38 MET C C 38 177.811 177.811 177.934 -0.123 26045 921 1 4 . 1 1 38 38 MET CA C 38 57.445 57.445 56.163 1.282 26045 922 1 4 . 1 1 38 38 MET CB C 38 32.313 32.313 31.902 0.410 26045 923 1 4 . 1 1 38 38 MET H H 38 7.960 7.960 7.946 0.014 26045 924 1 4 . 1 1 39 39 ALA N N 39 121.698 121.698 122.655 -0.957 26045 925 1 4 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.120 -0.057 26045 926 1 4 . 1 1 39 39 ALA C C 39 178.813 178.813 178.731 0.082 26045 927 1 4 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.876 -0.396 26045 928 1 4 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.646 -0.036 26045 929 1 4 . 1 1 39 39 ALA H H 39 8.125 8.125 7.890 0.235 26045 930 1 4 . 1 1 40 40 ARG N N 40 116.657 116.657 115.930 0.727 26045 931 1 4 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.206 -0.032 26045 932 1 4 . 1 1 40 40 ARG C C 40 177.220 177.220 176.191 1.029 26045 933 1 4 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.417 0.394 26045 934 1 4 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.788 0.333 26045 935 1 4 . 1 1 40 40 ARG H H 40 7.738 7.738 7.699 0.039 26045 936 1 4 . 1 1 41 41 ASN N N 41 116.193 116.193 116.208 -0.015 26045 937 1 4 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.788 -0.054 26045 938 1 4 . 1 1 41 41 ASN C C 41 175.369 175.369 175.470 -0.101 26045 939 1 4 . 1 1 41 41 ASN CA C 41 53.837 53.837 54.097 -0.260 26045 940 1 4 . 1 1 41 41 ASN CB C 41 39.136 39.136 40.532 -1.396 26045 941 1 4 . 1 1 41 41 ASN H H 41 7.896 7.896 7.546 0.350 26045 942 1 4 . 1 1 42 42 CYS N N 42 118.352 118.352 119.934 -1.582 26045 943 1 4 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.233 0.330 26045 944 1 4 . 1 1 42 42 CYS C C 42 174.213 174.213 176.197 -1.984 26045 945 1 4 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.041 -3.996 26045 946 1 4 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.198 14.521 26045 947 1 4 . 1 1 42 42 CYS H H 42 7.997 7.997 8.217 -0.220 26045 948 1 4 . 1 1 43 43 GLU N N 43 122.347 122.347 118.394 3.953 26045 949 1 4 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.437 -0.040 26045 950 1 4 . 1 1 43 43 GLU C C 43 175.369 175.369 176.839 -1.470 26045 951 1 4 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.726 -0.018 26045 952 1 4 . 1 1 43 43 GLU H H 43 8.307 8.307 8.308 -0.001 26045 953 1 5 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.529 -0.028 26045 954 1 5 . 1 1 2 2 PRO C C 2 178.016 178.016 176.259 1.757 26045 955 1 5 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.221 1.590 26045 956 1 5 . 1 1 2 2 PRO CB C 2 32.260 32.260 30.367 1.893 26045 957 1 5 . 1 1 3 3 CYS N N 3 117.098 117.098 118.965 -1.867 26045 958 1 5 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.087 0.423 26045 959 1 5 . 1 1 3 3 CYS C C 3 176.295 176.295 176.363 -0.068 26045 960 1 5 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.596 -2.131 26045 961 1 5 . 1 1 3 3 CYS CB C 3 39.971 39.971 24.810 15.161 26045 962 1 5 . 1 1 3 3 CYS H H 3 9.130 9.130 8.567 0.563 26045 963 1 5 . 1 1 4 4 GLU N N 4 121.091 121.091 120.019 1.072 26045 964 1 5 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.140 -0.066 26045 965 1 5 . 1 1 4 4 GLU C C 4 178.196 178.196 178.081 0.115 26045 966 1 5 . 1 1 4 4 GLU CA C 4 59.542 59.542 58.874 0.668 26045 967 1 5 . 1 1 4 4 GLU H H 4 8.177 8.177 7.862 0.315 26045 968 1 5 . 1 1 5 5 ASP N N 5 119.768 119.768 119.831 -0.063 26045 969 1 5 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.587 -0.126 26045 970 1 5 . 1 1 5 5 ASP C C 5 178.273 178.273 178.317 -0.044 26045 971 1 5 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.308 -0.883 26045 972 1 5 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.478 -0.306 26045 973 1 5 . 1 1 5 5 ASP H H 5 8.064 8.064 7.846 0.218 26045 974 1 5 . 1 1 6 6 LEU N N 6 121.053 121.053 120.746 0.307 26045 975 1 5 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.076 -0.048 26045 976 1 5 . 1 1 6 6 LEU C C 6 177.811 177.811 178.206 -0.395 26045 977 1 5 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.844 0.082 26045 978 1 5 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.118 -0.239 26045 979 1 5 . 1 1 6 6 LEU H H 6 7.785 7.785 7.836 -0.051 26045 980 1 5 . 1 1 7 7 LYS N N 7 117.877 117.877 119.152 -1.275 26045 981 1 5 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.878 -0.083 26045 982 1 5 . 1 1 7 7 LYS C C 7 178.710 178.710 178.649 0.061 26045 983 1 5 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.728 0.576 26045 984 1 5 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.351 -0.067 26045 985 1 5 . 1 1 7 7 LYS H H 7 7.995 7.995 7.894 0.101 26045 986 1 5 . 1 1 8 8 GLU N N 8 117.399 117.399 116.873 0.526 26045 987 1 5 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.129 -0.032 26045 988 1 5 . 1 1 8 8 GLU C C 8 178.916 178.916 179.269 -0.353 26045 989 1 5 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.835 -0.146 26045 990 1 5 . 1 1 8 8 GLU H H 8 7.760 7.760 8.194 -0.434 26045 991 1 5 . 1 1 9 9 ARG N N 9 120.362 120.362 119.681 0.681 26045 992 1 5 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.176 -0.118 26045 993 1 5 . 1 1 9 9 ARG C C 9 178.967 178.967 178.637 0.330 26045 994 1 5 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.661 0.668 26045 995 1 5 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.143 0.213 26045 996 1 5 . 1 1 9 9 ARG H H 9 7.996 7.996 7.529 0.467 26045 997 1 5 . 1 1 10 10 LEU N N 10 117.258 117.258 119.551 -2.293 26045 998 1 5 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.039 0.047 26045 999 1 5 . 1 1 10 10 LEU C C 10 177.566 177.566 178.623 -1.057 26045 1000 1 5 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.825 -0.703 26045 1001 1 5 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.532 -0.146 26045 1002 1 5 . 1 1 10 10 LEU H H 10 8.341 8.341 7.952 0.389 26045 1003 1 5 . 1 1 11 11 LYS N N 11 119.034 119.034 115.328 3.706 26045 1004 1 5 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.081 -0.042 26045 1005 1 5 . 1 1 11 11 LYS C C 11 178.736 178.736 178.344 0.392 26045 1006 1 5 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.505 0.629 26045 1007 1 5 . 1 1 11 11 LYS H H 11 7.707 7.707 7.574 0.133 26045 1008 1 5 . 1 1 12 12 LYS N N 12 119.013 119.013 120.316 -1.303 26045 1009 1 5 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.137 0.051 26045 1010 1 5 . 1 1 12 12 LYS C C 12 178.960 178.960 178.514 0.446 26045 1011 1 5 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.288 -0.473 26045 1012 1 5 . 1 1 12 12 LYS H H 12 7.709 7.709 7.394 0.315 26045 1013 1 5 . 1 1 13 13 LEU N N 13 119.078 119.078 113.967 5.111 26045 1014 1 5 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.594 -0.284 26045 1015 1 5 . 1 1 13 13 LEU C C 13 177.606 177.606 177.739 -0.133 26045 1016 1 5 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.137 0.281 26045 1017 1 5 . 1 1 13 13 LEU CB C 13 42.881 42.881 43.057 -0.176 26045 1018 1 5 . 1 1 13 13 LEU H H 13 7.705 7.705 7.827 -0.122 26045 1019 1 5 . 1 1 14 14 GLY N N 14 108.342 108.342 109.365 -1.023 26045 1020 1 5 . 1 1 14 14 GLY C C 14 174.367 174.367 174.627 -0.260 26045 1021 1 5 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.552 0.406 26045 1022 1 5 . 1 1 14 14 GLY H H 14 8.107 8.107 7.573 0.534 26045 1023 1 5 . 1 1 15 15 MET N N 15 119.054 119.054 118.078 0.976 26045 1024 1 5 . 1 1 15 15 MET HA H 15 4.512 4.512 4.872 -0.360 26045 1025 1 5 . 1 1 15 15 MET C C 15 175.916 175.916 175.752 0.164 26045 1026 1 5 . 1 1 15 15 MET CA C 15 55.467 55.467 54.583 0.884 26045 1027 1 5 . 1 1 15 15 MET CB C 15 34.560 34.560 34.505 0.055 26045 1028 1 5 . 1 1 15 15 MET H H 15 7.686 7.686 7.640 0.046 26045 1029 1 5 . 1 1 16 16 SER N N 16 120.057 120.057 116.574 3.483 26045 1030 1 5 . 1 1 16 16 SER HA H 16 4.400 4.400 4.448 -0.048 26045 1031 1 5 . 1 1 16 16 SER C C 16 174.742 174.742 175.972 -1.230 26045 1032 1 5 . 1 1 16 16 SER CA C 16 57.747 57.747 58.364 -0.617 26045 1033 1 5 . 1 1 16 16 SER CB C 16 64.785 64.785 63.569 1.216 26045 1034 1 5 . 1 1 16 16 SER H H 16 8.948 8.948 8.683 0.265 26045 1035 1 5 . 1 1 17 17 GLU N N 17 123.142 123.142 126.148 -3.006 26045 1036 1 5 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.989 0.002 26045 1037 1 5 . 1 1 17 17 GLU C C 17 178.556 178.556 178.642 -0.086 26045 1038 1 5 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.340 -0.630 26045 1039 1 5 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.819 -0.593 26045 1040 1 5 . 1 1 17 17 GLU H H 17 9.035 9.035 9.034 0.001 26045 1041 1 5 . 1 1 18 18 GLU N N 18 118.705 118.705 119.584 -0.879 26045 1042 1 5 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.206 -0.177 26045 1043 1 5 . 1 1 18 18 GLU C C 18 179.173 179.173 178.796 0.377 26045 1044 1 5 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.580 1.341 26045 1045 1 5 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.497 -0.517 26045 1046 1 5 . 1 1 18 18 GLU H H 18 8.790 8.790 8.709 0.081 26045 1047 1 5 . 1 1 19 19 CYS N N 19 118.720 118.720 119.425 -0.705 26045 1048 1 5 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.132 0.159 26045 1049 1 5 . 1 1 19 19 CYS C C 19 176.295 176.295 177.166 -0.871 26045 1050 1 5 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.802 -2.517 26045 1051 1 5 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.234 14.141 26045 1052 1 5 . 1 1 19 19 CYS H H 19 7.875 7.875 8.295 -0.420 26045 1053 1 5 . 1 1 20 20 ARG N N 20 120.027 120.027 119.573 0.454 26045 1054 1 5 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.884 -0.030 26045 1055 1 5 . 1 1 20 20 ARG C C 20 178.633 178.633 178.974 -0.341 26045 1056 1 5 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.994 0.634 26045 1057 1 5 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.652 0.199 26045 1058 1 5 . 1 1 20 20 ARG H H 20 8.507 8.507 7.706 0.801 26045 1059 1 5 . 1 1 21 21 GLN N N 21 117.558 117.558 117.147 0.411 26045 1060 1 5 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.020 0.004 26045 1061 1 5 . 1 1 21 21 GLN C C 21 179.122 179.122 178.780 0.342 26045 1062 1 5 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.684 0.360 26045 1063 1 5 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.383 -0.102 26045 1064 1 5 . 1 1 21 21 GLN H H 21 8.379 8.379 7.691 0.688 26045 1065 1 5 . 1 1 22 22 ARG N N 22 120.355 120.355 119.116 1.239 26045 1066 1 5 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.034 0.025 26045 1067 1 5 . 1 1 22 22 ARG C C 22 178.967 178.967 178.450 0.517 26045 1068 1 5 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.599 -0.183 26045 1069 1 5 . 1 1 22 22 ARG H H 22 7.859 7.859 7.613 0.246 26045 1070 1 5 . 1 1 23 23 LEU N N 23 120.539 120.539 120.491 0.048 26045 1071 1 5 . 1 1 23 23 LEU HA H 23 4.048 4.048 3.956 0.092 26045 1072 1 5 . 1 1 23 23 LEU C C 23 178.890 178.890 178.910 -0.020 26045 1073 1 5 . 1 1 23 23 LEU CA C 23 58.018 58.018 58.157 -0.139 26045 1074 1 5 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.561 -0.133 26045 1075 1 5 . 1 1 23 23 LEU H H 23 8.332 8.332 8.112 0.220 26045 1076 1 5 . 1 1 24 24 GLU N N 24 119.377 119.377 117.787 1.590 26045 1077 1 5 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.858 -0.000 26045 1078 1 5 . 1 1 24 24 GLU C C 24 178.762 178.762 178.873 -0.111 26045 1079 1 5 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.656 0.306 26045 1080 1 5 . 1 1 24 24 GLU H H 24 8.296 8.296 8.448 -0.152 26045 1081 1 5 . 1 1 25 25 LYS N N 25 118.971 118.971 119.586 -0.615 26045 1082 1 5 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.078 -0.024 26045 1083 1 5 . 1 1 25 25 LYS C C 25 178.402 178.402 178.959 -0.557 26045 1084 1 5 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.173 0.197 26045 1085 1 5 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.369 0.226 26045 1086 1 5 . 1 1 25 25 LYS H H 25 7.637 7.637 7.501 0.136 26045 1087 1 5 . 1 1 26 26 MET N N 26 117.688 117.688 118.704 -1.016 26045 1088 1 5 . 1 1 26 26 MET HA H 26 4.199 4.199 4.191 0.008 26045 1089 1 5 . 1 1 26 26 MET C C 26 178.222 178.222 178.899 -0.677 26045 1090 1 5 . 1 1 26 26 MET CA C 26 58.414 58.414 59.018 -0.604 26045 1091 1 5 . 1 1 26 26 MET CB C 26 33.182 33.182 32.478 0.704 26045 1092 1 5 . 1 1 26 26 MET H H 26 7.953 7.953 8.090 -0.137 26045 1093 1 5 . 1 1 27 27 CYS N N 27 117.669 117.669 117.832 -0.163 26045 1094 1 5 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.290 0.002 26045 1095 1 5 . 1 1 27 27 CYS C C 27 176.218 176.218 176.528 -0.310 26045 1096 1 5 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.440 -2.163 26045 1097 1 5 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.041 14.261 26045 1098 1 5 . 1 1 27 27 CYS H H 27 8.264 8.264 8.245 0.019 26045 1099 1 5 . 1 1 28 28 LYS N N 28 120.893 120.893 118.684 2.209 26045 1100 1 5 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.195 -0.011 26045 1101 1 5 . 1 1 28 28 LYS C C 28 177.862 177.862 178.522 -0.660 26045 1102 1 5 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.648 -0.233 26045 1103 1 5 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.654 0.442 26045 1104 1 5 . 1 1 28 28 LYS H H 28 7.983 7.983 7.440 0.543 26045 1105 1 5 . 1 1 29 29 GLU N N 29 117.203 117.203 118.862 -1.659 26045 1106 1 5 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.149 0.215 26045 1107 1 5 . 1 1 29 29 GLU C C 29 176.937 176.937 177.760 -0.823 26045 1108 1 5 . 1 1 29 29 GLU CA C 29 56.783 56.783 58.335 -1.552 26045 1109 1 5 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.970 0.370 26045 1110 1 5 . 1 1 29 29 GLU H H 29 8.110 8.110 8.064 0.046 26045 1111 1 5 . 1 1 30 30 GLY N N 30 109.260 109.260 106.313 2.947 26045 1112 1 5 . 1 1 30 30 GLY C C 30 174.162 174.162 173.692 0.470 26045 1113 1 5 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.716 0.780 26045 1114 1 5 . 1 1 30 30 GLY H H 30 7.990 7.990 8.026 -0.036 26045 1115 1 5 . 1 1 31 31 THR N N 31 113.648 113.648 111.285 2.363 26045 1116 1 5 . 1 1 31 31 THR HA H 31 4.594 4.594 4.709 -0.115 26045 1117 1 5 . 1 1 31 31 THR C C 31 175.035 175.035 176.080 -1.045 26045 1118 1 5 . 1 1 31 31 THR CA C 31 60.974 60.974 59.506 1.468 26045 1119 1 5 . 1 1 31 31 THR CB C 31 70.524 70.524 72.334 -1.810 26045 1120 1 5 . 1 1 31 31 THR H H 31 8.257 8.257 8.237 0.020 26045 1121 1 5 . 1 1 32 32 SER N N 32 118.066 118.066 116.657 1.409 26045 1122 1 5 . 1 1 32 32 SER HA H 32 4.360 4.360 4.120 0.240 26045 1123 1 5 . 1 1 32 32 SER C C 32 175.472 175.472 175.980 -0.508 26045 1124 1 5 . 1 1 32 32 SER CA C 32 59.857 59.857 61.920 -2.063 26045 1125 1 5 . 1 1 32 32 SER CB C 32 63.485 63.485 62.869 0.616 26045 1126 1 5 . 1 1 32 32 SER H H 32 8.633 8.633 8.806 -0.173 26045 1127 1 5 . 1 1 33 33 GLU N N 33 122.577 122.577 122.732 -0.155 26045 1128 1 5 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.117 0.092 26045 1129 1 5 . 1 1 33 33 GLU C C 33 177.528 177.528 178.173 -0.645 26045 1130 1 5 . 1 1 33 33 GLU CA C 33 58.406 58.406 58.862 -0.456 26045 1131 1 5 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.021 0.767 26045 1132 1 5 . 1 1 33 33 GLU H H 33 8.532 8.532 8.550 -0.018 26045 1133 1 5 . 1 1 34 34 ASP N N 34 120.121 120.121 120.664 -0.543 26045 1134 1 5 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.376 0.111 26045 1135 1 5 . 1 1 34 34 ASP C C 34 177.605 177.605 177.797 -0.192 26045 1136 1 5 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.621 -1.795 26045 1137 1 5 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.606 0.373 26045 1138 1 5 . 1 1 34 34 ASP H H 34 8.122 8.122 7.630 0.492 26045 1139 1 5 . 1 1 35 35 ALA N N 35 123.997 123.997 122.374 1.623 26045 1140 1 5 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.026 -0.017 26045 1141 1 5 . 1 1 35 35 ALA C C 35 178.890 178.890 179.498 -0.608 26045 1142 1 5 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.001 0.189 26045 1143 1 5 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.604 0.215 26045 1144 1 5 . 1 1 35 35 ALA H H 35 8.107 8.107 7.480 0.627 26045 1145 1 5 . 1 1 36 36 GLU N N 36 117.393 117.393 117.776 -0.383 26045 1146 1 5 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.962 -0.045 26045 1147 1 5 . 1 1 36 36 GLU C C 36 178.505 178.505 178.400 0.105 26045 1148 1 5 . 1 1 36 36 GLU CA C 36 59.356 59.356 59.145 0.211 26045 1149 1 5 . 1 1 36 36 GLU H H 36 8.353 8.353 8.502 -0.149 26045 1150 1 5 . 1 1 37 37 ARG N N 37 118.853 118.853 120.117 -1.264 26045 1151 1 5 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.117 -0.087 26045 1152 1 5 . 1 1 37 37 ARG C C 37 178.556 178.556 177.627 0.929 26045 1153 1 5 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.836 -0.131 26045 1154 1 5 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.226 -0.001 26045 1155 1 5 . 1 1 37 37 ARG H H 37 7.779 7.779 7.440 0.339 26045 1156 1 5 . 1 1 38 38 MET N N 38 118.299 118.299 114.514 3.785 26045 1157 1 5 . 1 1 38 38 MET HA H 38 4.231 4.231 4.460 -0.229 26045 1158 1 5 . 1 1 38 38 MET C C 38 177.811 177.811 177.494 0.317 26045 1159 1 5 . 1 1 38 38 MET CA C 38 57.445 57.445 55.908 1.537 26045 1160 1 5 . 1 1 38 38 MET CB C 38 32.313 32.313 32.374 -0.061 26045 1161 1 5 . 1 1 38 38 MET H H 38 7.960 7.960 7.737 0.223 26045 1162 1 5 . 1 1 39 39 ALA N N 39 121.698 121.698 120.942 0.756 26045 1163 1 5 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.209 -0.146 26045 1164 1 5 . 1 1 39 39 ALA C C 39 178.813 178.813 179.613 -0.800 26045 1165 1 5 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.172 0.308 26045 1166 1 5 . 1 1 39 39 ALA CB C 39 18.610 18.610 19.470 -0.860 26045 1167 1 5 . 1 1 39 39 ALA H H 39 8.125 8.125 7.735 0.390 26045 1168 1 5 . 1 1 40 40 ARG N N 40 116.657 116.657 115.476 1.181 26045 1169 1 5 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.417 -0.243 26045 1170 1 5 . 1 1 40 40 ARG C C 40 177.220 177.220 176.224 0.996 26045 1171 1 5 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.196 0.615 26045 1172 1 5 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.198 -0.077 26045 1173 1 5 . 1 1 40 40 ARG H H 40 7.738 7.738 7.793 -0.055 26045 1174 1 5 . 1 1 41 41 ASN N N 41 116.193 116.193 116.623 -0.430 26045 1175 1 5 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.860 -0.126 26045 1176 1 5 . 1 1 41 41 ASN C C 41 175.369 175.369 174.461 0.908 26045 1177 1 5 . 1 1 41 41 ASN CA C 41 53.837 53.837 53.076 0.761 26045 1178 1 5 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.232 -0.096 26045 1179 1 5 . 1 1 41 41 ASN H H 41 7.896 7.896 7.852 0.044 26045 1180 1 5 . 1 1 42 42 CYS N N 42 118.352 118.352 119.904 -1.552 26045 1181 1 5 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.470 0.093 26045 1182 1 5 . 1 1 42 42 CYS C C 42 174.213 174.213 174.758 -0.545 26045 1183 1 5 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.833 -3.788 26045 1184 1 5 . 1 1 42 42 CYS CB C 42 41.719 41.719 28.345 13.374 26045 1185 1 5 . 1 1 42 42 CYS H H 42 7.997 7.997 7.734 0.263 26045 1186 1 5 . 1 1 43 43 GLU N N 43 122.347 122.347 117.157 5.190 26045 1187 1 5 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.448 -0.051 26045 1188 1 5 . 1 1 43 43 GLU C C 43 175.369 175.369 176.284 -0.915 26045 1189 1 5 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.104 0.604 26045 1190 1 5 . 1 1 43 43 GLU H H 43 8.307 8.307 8.704 -0.397 26045 1191 1 6 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.408 0.093 26045 1192 1 6 . 1 1 2 2 PRO C C 2 178.016 178.016 176.815 1.201 26045 1193 1 6 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.172 1.639 26045 1194 1 6 . 1 1 2 2 PRO CB C 2 32.260 32.260 30.025 2.235 26045 1195 1 6 . 1 1 3 3 CYS N N 3 117.098 117.098 121.761 -4.663 26045 1196 1 6 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.127 0.383 26045 1197 1 6 . 1 1 3 3 CYS C C 3 176.295 176.295 175.990 0.305 26045 1198 1 6 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.940 -2.475 26045 1199 1 6 . 1 1 3 3 CYS CB C 3 39.971 39.971 26.517 13.454 26045 1200 1 6 . 1 1 3 3 CYS H H 3 9.130 9.130 8.592 0.538 26045 1201 1 6 . 1 1 4 4 GLU N N 4 121.091 121.091 121.004 0.087 26045 1202 1 6 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.087 -0.013 26045 1203 1 6 . 1 1 4 4 GLU C C 4 178.196 178.196 177.749 0.447 26045 1204 1 6 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.233 0.309 26045 1205 1 6 . 1 1 4 4 GLU H H 4 8.177 8.177 7.900 0.277 26045 1206 1 6 . 1 1 5 5 ASP N N 5 119.768 119.768 120.784 -1.016 26045 1207 1 6 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.365 0.096 26045 1208 1 6 . 1 1 5 5 ASP C C 5 178.273 178.273 178.529 -0.256 26045 1209 1 6 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.670 -1.245 26045 1210 1 6 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.229 -0.057 26045 1211 1 6 . 1 1 5 5 ASP H H 5 8.064 8.064 7.782 0.282 26045 1212 1 6 . 1 1 6 6 LEU N N 6 121.053 121.053 120.547 0.506 26045 1213 1 6 . 1 1 6 6 LEU HA H 6 4.028 4.028 3.975 0.053 26045 1214 1 6 . 1 1 6 6 LEU C C 6 177.811 177.811 178.068 -0.257 26045 1215 1 6 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.931 -0.005 26045 1216 1 6 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.989 -0.110 26045 1217 1 6 . 1 1 6 6 LEU H H 6 7.785 7.785 7.777 0.008 26045 1218 1 6 . 1 1 7 7 LYS N N 7 117.877 117.877 118.880 -1.003 26045 1219 1 6 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.833 -0.038 26045 1220 1 6 . 1 1 7 7 LYS C C 7 178.710 178.710 178.769 -0.059 26045 1221 1 6 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.673 0.631 26045 1222 1 6 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.213 0.071 26045 1223 1 6 . 1 1 7 7 LYS H H 7 7.995 7.995 7.923 0.072 26045 1224 1 6 . 1 1 8 8 GLU N N 8 117.399 117.399 117.533 -0.134 26045 1225 1 6 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.142 -0.045 26045 1226 1 6 . 1 1 8 8 GLU C C 8 178.916 178.916 179.224 -0.308 26045 1227 1 6 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.080 0.609 26045 1228 1 6 . 1 1 8 8 GLU H H 8 7.760 7.760 7.836 -0.076 26045 1229 1 6 . 1 1 9 9 ARG N N 9 120.362 120.362 120.448 -0.086 26045 1230 1 6 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.046 0.012 26045 1231 1 6 . 1 1 9 9 ARG C C 9 178.967 178.967 178.860 0.107 26045 1232 1 6 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.409 -0.080 26045 1233 1 6 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.108 0.248 26045 1234 1 6 . 1 1 9 9 ARG H H 9 7.996 7.996 7.910 0.086 26045 1235 1 6 . 1 1 10 10 LEU N N 10 117.258 117.258 118.810 -1.552 26045 1236 1 6 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.011 0.075 26045 1237 1 6 . 1 1 10 10 LEU C C 10 177.566 177.566 179.030 -1.464 26045 1238 1 6 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.899 -0.777 26045 1239 1 6 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.421 -0.035 26045 1240 1 6 . 1 1 10 10 LEU H H 10 8.341 8.341 7.675 0.666 26045 1241 1 6 . 1 1 11 11 LYS N N 11 119.034 119.034 117.633 1.401 26045 1242 1 6 . 1 1 11 11 LYS HA H 11 4.039 4.039 3.977 0.062 26045 1243 1 6 . 1 1 11 11 LYS C C 11 178.736 178.736 179.018 -0.282 26045 1244 1 6 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.453 -0.318 26045 1245 1 6 . 1 1 11 11 LYS H H 11 7.707 7.707 7.606 0.101 26045 1246 1 6 . 1 1 12 12 LYS N N 12 119.013 119.013 119.518 -0.505 26045 1247 1 6 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.083 0.105 26045 1248 1 6 . 1 1 12 12 LYS C C 12 178.960 178.960 179.243 -0.283 26045 1249 1 6 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.705 -0.890 26045 1250 1 6 . 1 1 12 12 LYS H H 12 7.709 7.709 7.659 0.050 26045 1251 1 6 . 1 1 13 13 LEU N N 13 119.078 119.078 117.537 1.541 26045 1252 1 6 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.164 0.146 26045 1253 1 6 . 1 1 13 13 LEU C C 13 177.606 177.606 177.198 0.408 26045 1254 1 6 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.553 -0.135 26045 1255 1 6 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.729 0.152 26045 1256 1 6 . 1 1 13 13 LEU H H 13 7.705 7.705 7.906 -0.201 26045 1257 1 6 . 1 1 14 14 GLY N N 14 108.342 108.342 107.836 0.506 26045 1258 1 6 . 1 1 14 14 GLY C C 14 174.367 174.367 174.763 -0.396 26045 1259 1 6 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.345 0.613 26045 1260 1 6 . 1 1 14 14 GLY H H 14 8.107 8.107 7.505 0.602 26045 1261 1 6 . 1 1 15 15 MET N N 15 119.054 119.054 116.730 2.324 26045 1262 1 6 . 1 1 15 15 MET HA H 15 4.512 4.512 4.767 -0.255 26045 1263 1 6 . 1 1 15 15 MET C C 15 175.916 175.916 175.659 0.257 26045 1264 1 6 . 1 1 15 15 MET CA C 15 55.467 55.467 54.916 0.551 26045 1265 1 6 . 1 1 15 15 MET CB C 15 34.560 34.560 33.880 0.680 26045 1266 1 6 . 1 1 15 15 MET H H 15 7.686 7.686 7.490 0.196 26045 1267 1 6 . 1 1 16 16 SER N N 16 120.057 120.057 114.635 5.422 26045 1268 1 6 . 1 1 16 16 SER HA H 16 4.400 4.400 4.435 -0.035 26045 1269 1 6 . 1 1 16 16 SER C C 16 174.742 174.742 175.644 -0.902 26045 1270 1 6 . 1 1 16 16 SER CA C 16 57.747 57.747 58.504 -0.757 26045 1271 1 6 . 1 1 16 16 SER CB C 16 64.785 64.785 64.128 0.657 26045 1272 1 6 . 1 1 16 16 SER H H 16 8.948 8.948 8.489 0.459 26045 1273 1 6 . 1 1 17 17 GLU N N 17 123.142 123.142 124.291 -1.149 26045 1274 1 6 . 1 1 17 17 GLU HA H 17 3.991 3.991 4.011 -0.020 26045 1275 1 6 . 1 1 17 17 GLU C C 17 178.556 178.556 178.915 -0.359 26045 1276 1 6 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.606 0.104 26045 1277 1 6 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.667 -0.441 26045 1278 1 6 . 1 1 17 17 GLU H H 17 9.035 9.035 9.018 0.017 26045 1279 1 6 . 1 1 18 18 GLU N N 18 118.705 118.705 120.271 -1.566 26045 1280 1 6 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.197 -0.168 26045 1281 1 6 . 1 1 18 18 GLU C C 18 179.173 179.173 178.667 0.506 26045 1282 1 6 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.808 1.113 26045 1283 1 6 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.634 -0.654 26045 1284 1 6 . 1 1 18 18 GLU H H 18 8.790 8.790 8.595 0.195 26045 1285 1 6 . 1 1 19 19 CYS N N 19 118.720 118.720 119.040 -0.320 26045 1286 1 6 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.410 -0.119 26045 1287 1 6 . 1 1 19 19 CYS C C 19 176.295 176.295 177.451 -1.156 26045 1288 1 6 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.549 -2.264 26045 1289 1 6 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.293 14.082 26045 1290 1 6 . 1 1 19 19 CYS H H 19 7.875 7.875 8.240 -0.365 26045 1291 1 6 . 1 1 20 20 ARG N N 20 120.027 120.027 119.978 0.049 26045 1292 1 6 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.035 -0.181 26045 1293 1 6 . 1 1 20 20 ARG C C 20 178.633 178.633 178.944 -0.311 26045 1294 1 6 . 1 1 20 20 ARG CA C 20 60.628 60.628 58.562 2.066 26045 1295 1 6 . 1 1 20 20 ARG CB C 20 29.851 29.851 28.246 1.605 26045 1296 1 6 . 1 1 20 20 ARG H H 20 8.507 8.507 7.879 0.628 26045 1297 1 6 . 1 1 21 21 GLN N N 21 117.558 117.558 118.794 -1.236 26045 1298 1 6 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.267 -0.243 26045 1299 1 6 . 1 1 21 21 GLN C C 21 179.122 179.122 178.929 0.193 26045 1300 1 6 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.527 0.517 26045 1301 1 6 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.467 -0.186 26045 1302 1 6 . 1 1 21 21 GLN H H 21 8.379 8.379 7.732 0.647 26045 1303 1 6 . 1 1 22 22 ARG N N 22 120.355 120.355 119.820 0.535 26045 1304 1 6 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.132 -0.073 26045 1305 1 6 . 1 1 22 22 ARG C C 22 178.967 178.967 178.741 0.226 26045 1306 1 6 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.332 0.084 26045 1307 1 6 . 1 1 22 22 ARG H H 22 7.859 7.859 7.873 -0.014 26045 1308 1 6 . 1 1 23 23 LEU N N 23 120.539 120.539 120.496 0.043 26045 1309 1 6 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.022 0.026 26045 1310 1 6 . 1 1 23 23 LEU C C 23 178.890 178.890 178.983 -0.093 26045 1311 1 6 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.771 0.247 26045 1312 1 6 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.718 -0.290 26045 1313 1 6 . 1 1 23 23 LEU H H 23 8.332 8.332 7.859 0.473 26045 1314 1 6 . 1 1 24 24 GLU N N 24 119.377 119.377 118.745 0.632 26045 1315 1 6 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.921 -0.063 26045 1316 1 6 . 1 1 24 24 GLU C C 24 178.762 178.762 178.725 0.037 26045 1317 1 6 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.499 0.463 26045 1318 1 6 . 1 1 24 24 GLU H H 24 8.296 8.296 8.334 -0.038 26045 1319 1 6 . 1 1 25 25 LYS N N 25 118.971 118.971 119.469 -0.498 26045 1320 1 6 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.085 -0.030 26045 1321 1 6 . 1 1 25 25 LYS C C 25 178.402 178.402 178.915 -0.513 26045 1322 1 6 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.176 0.194 26045 1323 1 6 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.355 0.240 26045 1324 1 6 . 1 1 25 25 LYS H H 25 7.637 7.637 7.495 0.142 26045 1325 1 6 . 1 1 26 26 MET N N 26 117.688 117.688 118.850 -1.162 26045 1326 1 6 . 1 1 26 26 MET HA H 26 4.199 4.199 4.364 -0.165 26045 1327 1 6 . 1 1 26 26 MET C C 26 178.222 178.222 178.944 -0.722 26045 1328 1 6 . 1 1 26 26 MET CA C 26 58.414 58.414 58.725 -0.311 26045 1329 1 6 . 1 1 26 26 MET CB C 26 33.182 33.182 31.640 1.542 26045 1330 1 6 . 1 1 26 26 MET H H 26 7.953 7.953 8.164 -0.211 26045 1331 1 6 . 1 1 27 27 CYS N N 27 117.669 117.669 117.487 0.182 26045 1332 1 6 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.449 -0.157 26045 1333 1 6 . 1 1 27 27 CYS C C 27 176.218 176.218 176.656 -0.438 26045 1334 1 6 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.950 -1.673 26045 1335 1 6 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.146 14.156 26045 1336 1 6 . 1 1 27 27 CYS H H 27 8.264 8.264 7.909 0.355 26045 1337 1 6 . 1 1 28 28 LYS N N 28 120.893 120.893 119.245 1.648 26045 1338 1 6 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.192 -0.008 26045 1339 1 6 . 1 1 28 28 LYS C C 28 177.862 177.862 178.641 -0.779 26045 1340 1 6 . 1 1 28 28 LYS CA C 28 58.415 58.415 57.965 0.450 26045 1341 1 6 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.019 1.077 26045 1342 1 6 . 1 1 28 28 LYS H H 28 7.983 7.983 7.409 0.574 26045 1343 1 6 . 1 1 29 29 GLU N N 29 117.203 117.203 118.806 -1.603 26045 1344 1 6 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.195 0.169 26045 1345 1 6 . 1 1 29 29 GLU C C 29 176.937 176.937 178.088 -1.151 26045 1346 1 6 . 1 1 29 29 GLU CA C 29 56.783 56.783 58.338 -1.555 26045 1347 1 6 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.077 0.263 26045 1348 1 6 . 1 1 29 29 GLU H H 29 8.110 8.110 8.076 0.034 26045 1349 1 6 . 1 1 30 30 GLY N N 30 109.260 109.260 106.148 3.112 26045 1350 1 6 . 1 1 30 30 GLY C C 30 174.162 174.162 174.180 -0.018 26045 1351 1 6 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.078 0.417 26045 1352 1 6 . 1 1 30 30 GLY H H 30 7.990 7.990 8.078 -0.088 26045 1353 1 6 . 1 1 31 31 THR N N 31 113.648 113.648 111.975 1.673 26045 1354 1 6 . 1 1 31 31 THR HA H 31 4.594 4.594 4.622 -0.028 26045 1355 1 6 . 1 1 31 31 THR C C 31 175.035 175.035 175.672 -0.637 26045 1356 1 6 . 1 1 31 31 THR CA C 31 60.974 60.974 60.426 0.548 26045 1357 1 6 . 1 1 31 31 THR CB C 31 70.524 70.524 71.654 -1.130 26045 1358 1 6 . 1 1 31 31 THR H H 31 8.257 8.257 7.983 0.274 26045 1359 1 6 . 1 1 32 32 SER N N 32 118.066 118.066 116.289 1.777 26045 1360 1 6 . 1 1 32 32 SER HA H 32 4.360 4.360 4.231 0.129 26045 1361 1 6 . 1 1 32 32 SER C C 32 175.472 175.472 175.888 -0.416 26045 1362 1 6 . 1 1 32 32 SER CA C 32 59.857 59.857 60.924 -1.067 26045 1363 1 6 . 1 1 32 32 SER CB C 32 63.485 63.485 62.922 0.563 26045 1364 1 6 . 1 1 32 32 SER H H 32 8.633 8.633 8.828 -0.195 26045 1365 1 6 . 1 1 33 33 GLU N N 33 122.577 122.577 122.526 0.051 26045 1366 1 6 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.076 0.133 26045 1367 1 6 . 1 1 33 33 GLU C C 33 177.528 177.528 178.413 -0.885 26045 1368 1 6 . 1 1 33 33 GLU CA C 33 58.406 58.406 58.987 -0.582 26045 1369 1 6 . 1 1 33 33 GLU CB C 33 29.788 29.788 28.608 1.179 26045 1370 1 6 . 1 1 33 33 GLU H H 33 8.532 8.532 8.277 0.255 26045 1371 1 6 . 1 1 34 34 ASP N N 34 120.121 120.121 120.371 -0.250 26045 1372 1 6 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.378 0.109 26045 1373 1 6 . 1 1 34 34 ASP C C 34 177.605 177.605 178.268 -0.663 26045 1374 1 6 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.450 -1.624 26045 1375 1 6 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.587 0.392 26045 1376 1 6 . 1 1 34 34 ASP H H 34 8.122 8.122 7.931 0.191 26045 1377 1 6 . 1 1 35 35 ALA N N 35 123.997 123.997 122.573 1.424 26045 1378 1 6 . 1 1 35 35 ALA HA H 35 4.009 4.009 3.946 0.063 26045 1379 1 6 . 1 1 35 35 ALA C C 35 178.890 178.890 179.277 -0.387 26045 1380 1 6 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.380 -0.190 26045 1381 1 6 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.611 0.207 26045 1382 1 6 . 1 1 35 35 ALA H H 35 8.107 8.107 7.589 0.518 26045 1383 1 6 . 1 1 36 36 GLU N N 36 117.393 117.393 117.603 -0.210 26045 1384 1 6 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.926 -0.009 26045 1385 1 6 . 1 1 36 36 GLU C C 36 178.505 178.505 178.569 -0.064 26045 1386 1 6 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.640 0.716 26045 1387 1 6 . 1 1 36 36 GLU H H 36 8.353 8.353 7.969 0.384 26045 1388 1 6 . 1 1 37 37 ARG N N 37 118.853 118.853 121.648 -2.795 26045 1389 1 6 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.102 -0.072 26045 1390 1 6 . 1 1 37 37 ARG C C 37 178.556 178.556 178.274 0.282 26045 1391 1 6 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.431 0.274 26045 1392 1 6 . 1 1 37 37 ARG CB C 37 30.225 30.225 29.747 0.478 26045 1393 1 6 . 1 1 37 37 ARG H H 37 7.779 7.779 7.925 -0.146 26045 1394 1 6 . 1 1 38 38 MET N N 38 118.299 118.299 115.285 3.014 26045 1395 1 6 . 1 1 38 38 MET HA H 38 4.231 4.231 4.613 -0.382 26045 1396 1 6 . 1 1 38 38 MET C C 38 177.811 177.811 178.471 -0.660 26045 1397 1 6 . 1 1 38 38 MET CA C 38 57.445 57.445 56.995 0.450 26045 1398 1 6 . 1 1 38 38 MET CB C 38 32.313 32.313 32.547 -0.235 26045 1399 1 6 . 1 1 38 38 MET H H 38 7.960 7.960 7.982 -0.022 26045 1400 1 6 . 1 1 39 39 ALA N N 39 121.698 121.698 123.242 -1.544 26045 1401 1 6 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.121 -0.058 26045 1402 1 6 . 1 1 39 39 ALA C C 39 178.813 178.813 179.805 -0.992 26045 1403 1 6 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.880 -0.400 26045 1404 1 6 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.523 0.087 26045 1405 1 6 . 1 1 39 39 ALA H H 39 8.125 8.125 8.038 0.087 26045 1406 1 6 . 1 1 40 40 ARG N N 40 116.657 116.657 117.208 -0.551 26045 1407 1 6 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.167 0.007 26045 1408 1 6 . 1 1 40 40 ARG C C 40 177.220 177.220 176.095 1.125 26045 1409 1 6 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.808 0.003 26045 1410 1 6 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.297 -0.176 26045 1411 1 6 . 1 1 40 40 ARG H H 40 7.738 7.738 7.867 -0.129 26045 1412 1 6 . 1 1 41 41 ASN N N 41 116.193 116.193 113.571 2.622 26045 1413 1 6 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.863 -0.129 26045 1414 1 6 . 1 1 41 41 ASN C C 41 175.369 175.369 174.789 0.580 26045 1415 1 6 . 1 1 41 41 ASN CA C 41 53.837 53.837 52.602 1.235 26045 1416 1 6 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.782 0.354 26045 1417 1 6 . 1 1 41 41 ASN H H 41 7.896 7.896 7.836 0.060 26045 1418 1 6 . 1 1 42 42 CYS N N 42 118.352 118.352 120.370 -2.018 26045 1419 1 6 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.449 0.114 26045 1420 1 6 . 1 1 42 42 CYS C C 42 174.213 174.213 175.342 -1.129 26045 1421 1 6 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.103 -4.058 26045 1422 1 6 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.662 14.057 26045 1423 1 6 . 1 1 42 42 CYS H H 42 7.997 7.997 7.708 0.289 26045 1424 1 6 . 1 1 43 43 GLU N N 43 122.347 122.347 118.167 4.180 26045 1425 1 6 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.478 -0.081 26045 1426 1 6 . 1 1 43 43 GLU C C 43 175.369 175.369 176.511 -1.142 26045 1427 1 6 . 1 1 43 43 GLU CA C 43 56.708 56.708 55.895 0.813 26045 1428 1 6 . 1 1 43 43 GLU H H 43 8.307 8.307 8.507 -0.200 26045 1429 1 7 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.681 -0.180 26045 1430 1 7 . 1 1 2 2 PRO C C 2 178.016 178.016 176.177 1.839 26045 1431 1 7 . 1 1 2 2 PRO CA C 2 64.811 64.811 62.565 2.247 26045 1432 1 7 . 1 1 2 2 PRO CB C 2 32.260 32.260 29.950 2.310 26045 1433 1 7 . 1 1 3 3 CYS N N 3 117.098 117.098 117.030 0.068 26045 1434 1 7 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.065 0.445 26045 1435 1 7 . 1 1 3 3 CYS C C 3 176.295 176.295 176.647 -0.352 26045 1436 1 7 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.511 -2.046 26045 1437 1 7 . 1 1 3 3 CYS CB C 3 39.971 39.971 25.447 14.524 26045 1438 1 7 . 1 1 3 3 CYS H H 3 9.130 9.130 8.347 0.783 26045 1439 1 7 . 1 1 4 4 GLU N N 4 121.091 121.091 120.334 0.757 26045 1440 1 7 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.966 0.108 26045 1441 1 7 . 1 1 4 4 GLU C C 4 178.196 178.196 178.111 0.085 26045 1442 1 7 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.157 0.385 26045 1443 1 7 . 1 1 4 4 GLU H H 4 8.177 8.177 8.418 -0.241 26045 1444 1 7 . 1 1 5 5 ASP N N 5 119.768 119.768 120.919 -1.151 26045 1445 1 7 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.405 0.056 26045 1446 1 7 . 1 1 5 5 ASP C C 5 178.273 178.273 178.018 0.255 26045 1447 1 7 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.480 -1.055 26045 1448 1 7 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.031 0.141 26045 1449 1 7 . 1 1 5 5 ASP H H 5 8.064 8.064 8.346 -0.282 26045 1450 1 7 . 1 1 6 6 LEU N N 6 121.053 121.053 120.518 0.535 26045 1451 1 7 . 1 1 6 6 LEU HA H 6 4.028 4.028 3.998 0.030 26045 1452 1 7 . 1 1 6 6 LEU C C 6 177.811 177.811 178.102 -0.291 26045 1453 1 7 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.781 0.145 26045 1454 1 7 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.035 -0.156 26045 1455 1 7 . 1 1 6 6 LEU H H 6 7.785 7.785 7.757 0.028 26045 1456 1 7 . 1 1 7 7 LYS N N 7 117.877 117.877 118.874 -0.997 26045 1457 1 7 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.834 -0.039 26045 1458 1 7 . 1 1 7 7 LYS C C 7 178.710 178.710 178.805 -0.095 26045 1459 1 7 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.759 0.545 26045 1460 1 7 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.287 -0.003 26045 1461 1 7 . 1 1 7 7 LYS H H 7 7.995 7.995 8.117 -0.122 26045 1462 1 7 . 1 1 8 8 GLU N N 8 117.399 117.399 117.475 -0.076 26045 1463 1 7 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.145 -0.048 26045 1464 1 7 . 1 1 8 8 GLU C C 8 178.916 178.916 179.453 -0.537 26045 1465 1 7 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.394 0.295 26045 1466 1 7 . 1 1 8 8 GLU H H 8 7.760 7.760 7.631 0.129 26045 1467 1 7 . 1 1 9 9 ARG N N 9 120.362 120.362 120.111 0.251 26045 1468 1 7 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.082 -0.024 26045 1469 1 7 . 1 1 9 9 ARG C C 9 178.967 178.967 178.864 0.103 26045 1470 1 7 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.110 0.219 26045 1471 1 7 . 1 1 9 9 ARG CB C 9 30.356 30.356 29.979 0.377 26045 1472 1 7 . 1 1 9 9 ARG H H 9 7.996 7.996 7.862 0.134 26045 1473 1 7 . 1 1 10 10 LEU N N 10 117.258 117.258 119.570 -2.312 26045 1474 1 7 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.037 0.049 26045 1475 1 7 . 1 1 10 10 LEU C C 10 177.566 177.566 178.860 -1.294 26045 1476 1 7 . 1 1 10 10 LEU CA C 10 57.122 57.122 58.127 -1.005 26045 1477 1 7 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.577 -0.191 26045 1478 1 7 . 1 1 10 10 LEU H H 10 8.341 8.341 7.778 0.563 26045 1479 1 7 . 1 1 11 11 LYS N N 11 119.034 119.034 116.442 2.592 26045 1480 1 7 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.107 -0.068 26045 1481 1 7 . 1 1 11 11 LYS C C 11 178.736 178.736 178.869 -0.133 26045 1482 1 7 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.602 0.533 26045 1483 1 7 . 1 1 11 11 LYS H H 11 7.707 7.707 7.613 0.094 26045 1484 1 7 . 1 1 12 12 LYS N N 12 119.013 119.013 120.111 -1.098 26045 1485 1 7 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.099 0.089 26045 1486 1 7 . 1 1 12 12 LYS C C 12 178.960 178.960 179.015 -0.055 26045 1487 1 7 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.541 -0.726 26045 1488 1 7 . 1 1 12 12 LYS H H 12 7.709 7.709 7.633 0.076 26045 1489 1 7 . 1 1 13 13 LEU N N 13 119.078 119.078 117.452 1.626 26045 1490 1 7 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.181 0.129 26045 1491 1 7 . 1 1 13 13 LEU C C 13 177.606 177.606 177.176 0.430 26045 1492 1 7 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.544 -0.126 26045 1493 1 7 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.604 0.277 26045 1494 1 7 . 1 1 13 13 LEU H H 13 7.705 7.705 7.929 -0.224 26045 1495 1 7 . 1 1 14 14 GLY N N 14 108.342 108.342 106.823 1.519 26045 1496 1 7 . 1 1 14 14 GLY C C 14 174.367 174.367 174.928 -0.561 26045 1497 1 7 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.319 0.639 26045 1498 1 7 . 1 1 14 14 GLY H H 14 8.107 8.107 7.391 0.716 26045 1499 1 7 . 1 1 15 15 MET N N 15 119.054 119.054 116.828 2.226 26045 1500 1 7 . 1 1 15 15 MET HA H 15 4.512 4.512 4.633 -0.121 26045 1501 1 7 . 1 1 15 15 MET C C 15 175.916 175.916 175.905 0.011 26045 1502 1 7 . 1 1 15 15 MET CA C 15 55.467 55.467 55.995 -0.528 26045 1503 1 7 . 1 1 15 15 MET CB C 15 34.560 34.560 33.678 0.882 26045 1504 1 7 . 1 1 15 15 MET H H 15 7.686 7.686 7.424 0.262 26045 1505 1 7 . 1 1 16 16 SER N N 16 120.057 120.057 115.761 4.296 26045 1506 1 7 . 1 1 16 16 SER HA H 16 4.400 4.400 4.503 -0.102 26045 1507 1 7 . 1 1 16 16 SER C C 16 174.742 174.742 175.725 -0.983 26045 1508 1 7 . 1 1 16 16 SER CA C 16 57.747 57.747 58.965 -1.218 26045 1509 1 7 . 1 1 16 16 SER CB C 16 64.785 64.785 64.565 0.220 26045 1510 1 7 . 1 1 16 16 SER H H 16 8.948 8.948 8.021 0.927 26045 1511 1 7 . 1 1 17 17 GLU N N 17 123.142 123.142 123.633 -0.491 26045 1512 1 7 . 1 1 17 17 GLU HA H 17 3.991 3.991 4.054 -0.063 26045 1513 1 7 . 1 1 17 17 GLU C C 17 178.556 178.556 177.838 0.718 26045 1514 1 7 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.771 -0.061 26045 1515 1 7 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.292 -0.066 26045 1516 1 7 . 1 1 17 17 GLU H H 17 9.035 9.035 8.883 0.152 26045 1517 1 7 . 1 1 18 18 GLU N N 18 118.705 118.705 119.308 -0.603 26045 1518 1 7 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.195 -0.166 26045 1519 1 7 . 1 1 18 18 GLU C C 18 179.173 179.173 178.032 1.141 26045 1520 1 7 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.717 1.204 26045 1521 1 7 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.630 -0.650 26045 1522 1 7 . 1 1 18 18 GLU H H 18 8.790 8.790 8.450 0.340 26045 1523 1 7 . 1 1 19 19 CYS N N 19 118.720 118.720 118.392 0.328 26045 1524 1 7 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.227 0.064 26045 1525 1 7 . 1 1 19 19 CYS C C 19 176.295 176.295 177.293 -0.998 26045 1526 1 7 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.656 -3.371 26045 1527 1 7 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.584 13.791 26045 1528 1 7 . 1 1 19 19 CYS H H 19 7.875 7.875 7.643 0.232 26045 1529 1 7 . 1 1 20 20 ARG N N 20 120.027 120.027 118.954 1.073 26045 1530 1 7 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.048 -0.194 26045 1531 1 7 . 1 1 20 20 ARG C C 20 178.633 178.633 179.223 -0.590 26045 1532 1 7 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.062 1.566 26045 1533 1 7 . 1 1 20 20 ARG CB C 20 29.851 29.851 28.895 0.956 26045 1534 1 7 . 1 1 20 20 ARG H H 20 8.507 8.507 7.734 0.773 26045 1535 1 7 . 1 1 21 21 GLN N N 21 117.558 117.558 118.442 -0.884 26045 1536 1 7 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.051 -0.027 26045 1537 1 7 . 1 1 21 21 GLN C C 21 179.122 179.122 178.339 0.783 26045 1538 1 7 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.648 0.396 26045 1539 1 7 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.469 -0.188 26045 1540 1 7 . 1 1 21 21 GLN H H 21 8.379 8.379 7.774 0.605 26045 1541 1 7 . 1 1 22 22 ARG N N 22 120.355 120.355 119.362 0.993 26045 1542 1 7 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.213 -0.154 26045 1543 1 7 . 1 1 22 22 ARG C C 22 178.967 178.967 178.599 0.368 26045 1544 1 7 . 1 1 22 22 ARG CA C 22 59.416 59.416 58.297 1.119 26045 1545 1 7 . 1 1 22 22 ARG H H 22 7.859 7.859 7.574 0.284 26045 1546 1 7 . 1 1 23 23 LEU N N 23 120.539 120.539 120.198 0.341 26045 1547 1 7 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.040 0.008 26045 1548 1 7 . 1 1 23 23 LEU C C 23 178.890 178.890 178.604 0.286 26045 1549 1 7 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.787 0.231 26045 1550 1 7 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.472 -0.044 26045 1551 1 7 . 1 1 23 23 LEU H H 23 8.332 8.332 8.476 -0.144 26045 1552 1 7 . 1 1 24 24 GLU N N 24 119.377 119.377 118.670 0.707 26045 1553 1 7 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.991 -0.133 26045 1554 1 7 . 1 1 24 24 GLU C C 24 178.762 178.762 178.641 0.121 26045 1555 1 7 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.584 0.378 26045 1556 1 7 . 1 1 24 24 GLU H H 24 8.296 8.296 8.129 0.167 26045 1557 1 7 . 1 1 25 25 LYS N N 25 118.971 118.971 119.651 -0.680 26045 1558 1 7 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.116 -0.062 26045 1559 1 7 . 1 1 25 25 LYS C C 25 178.402 178.402 178.826 -0.424 26045 1560 1 7 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.280 0.090 26045 1561 1 7 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.235 0.360 26045 1562 1 7 . 1 1 25 25 LYS H H 25 7.637 7.637 7.337 0.300 26045 1563 1 7 . 1 1 26 26 MET N N 26 117.688 117.688 118.033 -0.345 26045 1564 1 7 . 1 1 26 26 MET HA H 26 4.199 4.199 4.264 -0.065 26045 1565 1 7 . 1 1 26 26 MET C C 26 178.222 178.222 178.313 -0.091 26045 1566 1 7 . 1 1 26 26 MET CA C 26 58.414 58.414 57.202 1.212 26045 1567 1 7 . 1 1 26 26 MET CB C 26 33.182 33.182 31.472 1.710 26045 1568 1 7 . 1 1 26 26 MET H H 26 7.953 7.953 8.004 -0.051 26045 1569 1 7 . 1 1 27 27 CYS N N 27 117.669 117.669 117.571 0.098 26045 1570 1 7 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.192 0.100 26045 1571 1 7 . 1 1 27 27 CYS C C 27 176.218 176.218 177.564 -1.346 26045 1572 1 7 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.945 -1.668 26045 1573 1 7 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.068 14.234 26045 1574 1 7 . 1 1 27 27 CYS H H 27 8.264 8.264 7.877 0.387 26045 1575 1 7 . 1 1 28 28 LYS N N 28 120.893 120.893 119.816 1.077 26045 1576 1 7 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.170 0.014 26045 1577 1 7 . 1 1 28 28 LYS C C 28 177.862 177.862 178.187 -0.325 26045 1578 1 7 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.817 -0.402 26045 1579 1 7 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.811 0.285 26045 1580 1 7 . 1 1 28 28 LYS H H 28 7.983 7.983 7.414 0.569 26045 1581 1 7 . 1 1 29 29 GLU N N 29 117.203 117.203 117.964 -0.761 26045 1582 1 7 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.316 0.048 26045 1583 1 7 . 1 1 29 29 GLU C C 29 176.937 176.937 176.119 0.818 26045 1584 1 7 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.943 -0.160 26045 1585 1 7 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.935 0.405 26045 1586 1 7 . 1 1 29 29 GLU H H 29 8.110 8.110 8.014 0.096 26045 1587 1 7 . 1 1 30 30 GLY N N 30 109.260 109.260 108.989 0.271 26045 1588 1 7 . 1 1 30 30 GLY C C 30 174.162 174.162 173.260 0.902 26045 1589 1 7 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.162 0.334 26045 1590 1 7 . 1 1 30 30 GLY H H 30 7.990 7.990 7.553 0.437 26045 1591 1 7 . 1 1 31 31 THR N N 31 113.648 113.648 114.198 -0.550 26045 1592 1 7 . 1 1 31 31 THR HA H 31 4.594 4.594 4.715 -0.121 26045 1593 1 7 . 1 1 31 31 THR C C 31 175.035 175.035 175.048 -0.013 26045 1594 1 7 . 1 1 31 31 THR CA C 31 60.974 60.974 60.612 0.362 26045 1595 1 7 . 1 1 31 31 THR CB C 31 70.524 70.524 72.129 -1.605 26045 1596 1 7 . 1 1 31 31 THR H H 31 8.257 8.257 8.118 0.139 26045 1597 1 7 . 1 1 32 32 SER N N 32 118.066 118.066 119.065 -0.999 26045 1598 1 7 . 1 1 32 32 SER HA H 32 4.360 4.360 4.190 0.170 26045 1599 1 7 . 1 1 32 32 SER C C 32 175.472 175.472 176.148 -0.676 26045 1600 1 7 . 1 1 32 32 SER CA C 32 59.857 59.857 61.592 -1.735 26045 1601 1 7 . 1 1 32 32 SER CB C 32 63.485 63.485 63.379 0.106 26045 1602 1 7 . 1 1 32 32 SER H H 32 8.633 8.633 8.803 -0.170 26045 1603 1 7 . 1 1 33 33 GLU N N 33 122.577 122.577 121.509 1.068 26045 1604 1 7 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.195 0.014 26045 1605 1 7 . 1 1 33 33 GLU C C 33 177.528 177.528 177.854 -0.326 26045 1606 1 7 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.261 -0.855 26045 1607 1 7 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.162 0.626 26045 1608 1 7 . 1 1 33 33 GLU H H 33 8.532 8.532 8.545 -0.013 26045 1609 1 7 . 1 1 34 34 ASP N N 34 120.121 120.121 119.793 0.328 26045 1610 1 7 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.468 0.019 26045 1611 1 7 . 1 1 34 34 ASP C C 34 177.605 177.605 177.828 -0.223 26045 1612 1 7 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.909 -1.083 26045 1613 1 7 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.926 0.053 26045 1614 1 7 . 1 1 34 34 ASP H H 34 8.122 8.122 7.646 0.476 26045 1615 1 7 . 1 1 35 35 ALA N N 35 123.997 123.997 121.605 2.392 26045 1616 1 7 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.051 -0.042 26045 1617 1 7 . 1 1 35 35 ALA C C 35 178.890 178.890 179.781 -0.891 26045 1618 1 7 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.037 0.153 26045 1619 1 7 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.454 0.365 26045 1620 1 7 . 1 1 35 35 ALA H H 35 8.107 8.107 7.791 0.316 26045 1621 1 7 . 1 1 36 36 GLU N N 36 117.393 117.393 117.287 0.106 26045 1622 1 7 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.992 -0.075 26045 1623 1 7 . 1 1 36 36 GLU C C 36 178.505 178.505 178.226 0.279 26045 1624 1 7 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.563 0.793 26045 1625 1 7 . 1 1 36 36 GLU H H 36 8.353 8.353 8.384 -0.031 26045 1626 1 7 . 1 1 37 37 ARG N N 37 118.853 118.853 120.761 -1.908 26045 1627 1 7 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.113 -0.083 26045 1628 1 7 . 1 1 37 37 ARG C C 37 178.556 178.556 178.173 0.383 26045 1629 1 7 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.862 -0.157 26045 1630 1 7 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.056 0.169 26045 1631 1 7 . 1 1 37 37 ARG H H 37 7.779 7.779 7.402 0.377 26045 1632 1 7 . 1 1 38 38 MET N N 38 118.299 118.299 115.698 2.601 26045 1633 1 7 . 1 1 38 38 MET HA H 38 4.231 4.231 4.335 -0.104 26045 1634 1 7 . 1 1 38 38 MET C C 38 177.811 177.811 178.740 -0.929 26045 1635 1 7 . 1 1 38 38 MET CA C 38 57.445 57.445 56.951 0.494 26045 1636 1 7 . 1 1 38 38 MET CB C 38 32.313 32.313 31.891 0.422 26045 1637 1 7 . 1 1 38 38 MET H H 38 7.960 7.960 7.906 0.054 26045 1638 1 7 . 1 1 39 39 ALA N N 39 121.698 121.698 123.228 -1.530 26045 1639 1 7 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.047 0.016 26045 1640 1 7 . 1 1 39 39 ALA C C 39 178.813 178.813 178.796 0.017 26045 1641 1 7 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.866 -0.386 26045 1642 1 7 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.402 0.208 26045 1643 1 7 . 1 1 39 39 ALA H H 39 8.125 8.125 7.700 0.425 26045 1644 1 7 . 1 1 40 40 ARG N N 40 116.657 116.657 115.882 0.775 26045 1645 1 7 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.159 0.015 26045 1646 1 7 . 1 1 40 40 ARG C C 40 177.220 177.220 176.294 0.926 26045 1647 1 7 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.330 0.481 26045 1648 1 7 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.255 -0.134 26045 1649 1 7 . 1 1 40 40 ARG H H 40 7.738 7.738 8.026 -0.288 26045 1650 1 7 . 1 1 41 41 ASN N N 41 116.193 116.193 113.273 2.920 26045 1651 1 7 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.852 -0.118 26045 1652 1 7 . 1 1 41 41 ASN C C 41 175.369 175.369 174.852 0.517 26045 1653 1 7 . 1 1 41 41 ASN CA C 41 53.837 53.837 52.989 0.848 26045 1654 1 7 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.874 0.262 26045 1655 1 7 . 1 1 41 41 ASN H H 41 7.896 7.896 7.653 0.243 26045 1656 1 7 . 1 1 42 42 CYS N N 42 118.352 118.352 120.348 -1.996 26045 1657 1 7 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.498 0.065 26045 1658 1 7 . 1 1 42 42 CYS C C 42 174.213 174.213 176.261 -2.048 26045 1659 1 7 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.157 -4.112 26045 1660 1 7 . 1 1 42 42 CYS CB C 42 41.719 41.719 28.447 13.272 26045 1661 1 7 . 1 1 42 42 CYS H H 42 7.997 7.997 8.281 -0.284 26045 1662 1 7 . 1 1 43 43 GLU N N 43 122.347 122.347 120.180 2.167 26045 1663 1 7 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.352 0.045 26045 1664 1 7 . 1 1 43 43 GLU C C 43 175.369 175.369 177.372 -2.003 26045 1665 1 7 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.621 0.087 26045 1666 1 7 . 1 1 43 43 GLU H H 43 8.307 8.307 8.049 0.258 26045 1667 1 8 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.433 0.068 26045 1668 1 8 . 1 1 2 2 PRO C C 2 178.016 178.016 176.521 1.495 26045 1669 1 8 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.511 1.300 26045 1670 1 8 . 1 1 2 2 PRO CB C 2 32.260 32.260 29.982 2.278 26045 1671 1 8 . 1 1 3 3 CYS N N 3 117.098 117.098 118.506 -1.408 26045 1672 1 8 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.078 0.432 26045 1673 1 8 . 1 1 3 3 CYS C C 3 176.295 176.295 176.288 0.007 26045 1674 1 8 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.698 -2.233 26045 1675 1 8 . 1 1 3 3 CYS CB C 3 39.971 39.971 24.838 15.133 26045 1676 1 8 . 1 1 3 3 CYS H H 3 9.130 9.130 8.586 0.544 26045 1677 1 8 . 1 1 4 4 GLU N N 4 121.091 121.091 121.251 -0.160 26045 1678 1 8 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.004 0.070 26045 1679 1 8 . 1 1 4 4 GLU C C 4 178.196 178.196 177.693 0.503 26045 1680 1 8 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.479 0.063 26045 1681 1 8 . 1 1 4 4 GLU H H 4 8.177 8.177 7.769 0.408 26045 1682 1 8 . 1 1 5 5 ASP N N 5 119.768 119.768 120.849 -1.081 26045 1683 1 8 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.325 0.136 26045 1684 1 8 . 1 1 5 5 ASP C C 5 178.273 178.273 178.706 -0.433 26045 1685 1 8 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.828 -1.403 26045 1686 1 8 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.199 -0.027 26045 1687 1 8 . 1 1 5 5 ASP H H 5 8.064 8.064 7.709 0.355 26045 1688 1 8 . 1 1 6 6 LEU N N 6 121.053 121.053 120.045 1.008 26045 1689 1 8 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.016 0.012 26045 1690 1 8 . 1 1 6 6 LEU C C 6 177.811 177.811 178.162 -0.351 26045 1691 1 8 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.800 0.126 26045 1692 1 8 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.038 -0.159 26045 1693 1 8 . 1 1 6 6 LEU H H 6 7.785 7.785 7.966 -0.181 26045 1694 1 8 . 1 1 7 7 LYS N N 7 117.877 117.877 118.979 -1.102 26045 1695 1 8 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.914 -0.119 26045 1696 1 8 . 1 1 7 7 LYS C C 7 178.710 178.710 178.738 -0.028 26045 1697 1 8 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.527 0.777 26045 1698 1 8 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.172 0.112 26045 1699 1 8 . 1 1 7 7 LYS H H 7 7.995 7.995 7.846 0.149 26045 1700 1 8 . 1 1 8 8 GLU N N 8 117.399 117.399 118.730 -1.331 26045 1701 1 8 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.109 -0.012 26045 1702 1 8 . 1 1 8 8 GLU C C 8 178.916 178.916 179.353 -0.437 26045 1703 1 8 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.812 -0.123 26045 1704 1 8 . 1 1 8 8 GLU H H 8 7.760 7.760 8.238 -0.478 26045 1705 1 8 . 1 1 9 9 ARG N N 9 120.362 120.362 119.997 0.365 26045 1706 1 8 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.115 -0.057 26045 1707 1 8 . 1 1 9 9 ARG C C 9 178.967 178.967 178.952 0.015 26045 1708 1 8 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.080 0.249 26045 1709 1 8 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.097 0.259 26045 1710 1 8 . 1 1 9 9 ARG H H 9 7.996 7.996 7.864 0.132 26045 1711 1 8 . 1 1 10 10 LEU N N 10 117.258 117.258 119.580 -2.322 26045 1712 1 8 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.033 0.053 26045 1713 1 8 . 1 1 10 10 LEU C C 10 177.566 177.566 178.496 -0.930 26045 1714 1 8 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.854 -0.732 26045 1715 1 8 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.572 -0.185 26045 1716 1 8 . 1 1 10 10 LEU H H 10 8.341 8.341 8.031 0.310 26045 1717 1 8 . 1 1 11 11 LYS N N 11 119.034 119.034 117.116 1.918 26045 1718 1 8 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.006 0.033 26045 1719 1 8 . 1 1 11 11 LYS C C 11 178.736 178.736 178.408 0.328 26045 1720 1 8 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.906 0.229 26045 1721 1 8 . 1 1 11 11 LYS H H 11 7.707 7.707 7.647 0.060 26045 1722 1 8 . 1 1 12 12 LYS N N 12 119.013 119.013 119.208 -0.195 26045 1723 1 8 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.101 0.087 26045 1724 1 8 . 1 1 12 12 LYS C C 12 178.960 178.960 179.087 -0.127 26045 1725 1 8 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.223 -0.408 26045 1726 1 8 . 1 1 12 12 LYS H H 12 7.709 7.709 7.785 -0.076 26045 1727 1 8 . 1 1 13 13 LEU N N 13 119.078 119.078 115.483 3.595 26045 1728 1 8 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.275 0.035 26045 1729 1 8 . 1 1 13 13 LEU C C 13 177.606 177.606 177.235 0.371 26045 1730 1 8 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.013 0.405 26045 1731 1 8 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.746 0.135 26045 1732 1 8 . 1 1 13 13 LEU H H 13 7.705 7.705 8.096 -0.391 26045 1733 1 8 . 1 1 14 14 GLY N N 14 108.342 108.342 107.211 1.131 26045 1734 1 8 . 1 1 14 14 GLY C C 14 174.367 174.367 174.994 -0.627 26045 1735 1 8 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.779 0.179 26045 1736 1 8 . 1 1 14 14 GLY H H 14 8.107 8.107 7.594 0.513 26045 1737 1 8 . 1 1 15 15 MET N N 15 119.054 119.054 114.711 4.343 26045 1738 1 8 . 1 1 15 15 MET HA H 15 4.512 4.512 4.805 -0.293 26045 1739 1 8 . 1 1 15 15 MET C C 15 175.916 175.916 176.962 -1.046 26045 1740 1 8 . 1 1 15 15 MET CA C 15 55.467 55.467 55.781 -0.314 26045 1741 1 8 . 1 1 15 15 MET CB C 15 34.560 34.560 33.593 0.968 26045 1742 1 8 . 1 1 15 15 MET H H 15 7.686 7.686 7.323 0.363 26045 1743 1 8 . 1 1 16 16 SER N N 16 120.057 120.057 116.776 3.281 26045 1744 1 8 . 1 1 16 16 SER HA H 16 4.400 4.400 4.378 0.022 26045 1745 1 8 . 1 1 16 16 SER C C 16 174.742 174.742 176.238 -1.496 26045 1746 1 8 . 1 1 16 16 SER CA C 16 57.747 57.747 59.075 -1.327 26045 1747 1 8 . 1 1 16 16 SER CB C 16 64.785 64.785 63.613 1.172 26045 1748 1 8 . 1 1 16 16 SER H H 16 8.948 8.948 8.569 0.379 26045 1749 1 8 . 1 1 17 17 GLU N N 17 123.142 123.142 126.889 -3.747 26045 1750 1 8 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.908 0.083 26045 1751 1 8 . 1 1 17 17 GLU C C 17 178.556 178.556 178.467 0.089 26045 1752 1 8 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.266 -0.556 26045 1753 1 8 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.635 -0.409 26045 1754 1 8 . 1 1 17 17 GLU H H 17 9.035 9.035 8.932 0.103 26045 1755 1 8 . 1 1 18 18 GLU N N 18 118.705 118.705 119.560 -0.855 26045 1756 1 8 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.323 -0.294 26045 1757 1 8 . 1 1 18 18 GLU C C 18 179.173 179.173 178.679 0.494 26045 1758 1 8 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.101 0.820 26045 1759 1 8 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.393 -0.413 26045 1760 1 8 . 1 1 18 18 GLU H H 18 8.790 8.790 8.698 0.092 26045 1761 1 8 . 1 1 19 19 CYS N N 19 118.720 118.720 118.676 0.044 26045 1762 1 8 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.167 0.124 26045 1763 1 8 . 1 1 19 19 CYS C C 19 176.295 176.295 177.280 -0.985 26045 1764 1 8 . 1 1 19 19 CYS CA C 19 59.285 59.285 63.513 -4.228 26045 1765 1 8 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.485 13.890 26045 1766 1 8 . 1 1 19 19 CYS H H 19 7.875 7.875 7.820 0.055 26045 1767 1 8 . 1 1 20 20 ARG N N 20 120.027 120.027 119.160 0.867 26045 1768 1 8 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.042 -0.188 26045 1769 1 8 . 1 1 20 20 ARG C C 20 178.633 178.633 179.099 -0.466 26045 1770 1 8 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.225 1.403 26045 1771 1 8 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.193 0.658 26045 1772 1 8 . 1 1 20 20 ARG H H 20 8.507 8.507 7.746 0.761 26045 1773 1 8 . 1 1 21 21 GLN N N 21 117.558 117.558 118.935 -1.377 26045 1774 1 8 . 1 1 21 21 GLN HA H 21 4.024 4.024 3.991 0.033 26045 1775 1 8 . 1 1 21 21 GLN C C 21 179.122 179.122 178.359 0.763 26045 1776 1 8 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.921 0.123 26045 1777 1 8 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.326 -0.045 26045 1778 1 8 . 1 1 21 21 GLN H H 21 8.379 8.379 7.993 0.386 26045 1779 1 8 . 1 1 22 22 ARG N N 22 120.355 120.355 119.440 0.915 26045 1780 1 8 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.131 -0.072 26045 1781 1 8 . 1 1 22 22 ARG C C 22 178.967 178.967 178.982 -0.015 26045 1782 1 8 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.364 0.052 26045 1783 1 8 . 1 1 22 22 ARG H H 22 7.859 7.859 7.665 0.195 26045 1784 1 8 . 1 1 23 23 LEU N N 23 120.539 120.539 120.031 0.508 26045 1785 1 8 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.038 0.010 26045 1786 1 8 . 1 1 23 23 LEU C C 23 178.890 178.890 178.741 0.149 26045 1787 1 8 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.953 0.065 26045 1788 1 8 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.613 -0.185 26045 1789 1 8 . 1 1 23 23 LEU H H 23 8.332 8.332 8.447 -0.115 26045 1790 1 8 . 1 1 24 24 GLU N N 24 119.377 119.377 119.127 0.250 26045 1791 1 8 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.992 -0.134 26045 1792 1 8 . 1 1 24 24 GLU C C 24 178.762 178.762 178.699 0.063 26045 1793 1 8 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.625 0.337 26045 1794 1 8 . 1 1 24 24 GLU H H 24 8.296 8.296 8.272 0.024 26045 1795 1 8 . 1 1 25 25 LYS N N 25 118.971 118.971 119.542 -0.571 26045 1796 1 8 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.142 -0.088 26045 1797 1 8 . 1 1 25 25 LYS C C 25 178.402 178.402 178.956 -0.554 26045 1798 1 8 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.025 0.345 26045 1799 1 8 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.409 0.186 26045 1800 1 8 . 1 1 25 25 LYS H H 25 7.637 7.637 7.355 0.282 26045 1801 1 8 . 1 1 26 26 MET N N 26 117.688 117.688 118.762 -1.074 26045 1802 1 8 . 1 1 26 26 MET HA H 26 4.199 4.199 4.442 -0.243 26045 1803 1 8 . 1 1 26 26 MET C C 26 178.222 178.222 178.395 -0.173 26045 1804 1 8 . 1 1 26 26 MET CA C 26 58.414 58.414 58.872 -0.458 26045 1805 1 8 . 1 1 26 26 MET CB C 26 33.182 33.182 32.578 0.605 26045 1806 1 8 . 1 1 26 26 MET H H 26 7.953 7.953 8.359 -0.406 26045 1807 1 8 . 1 1 27 27 CYS N N 27 117.669 117.669 117.010 0.659 26045 1808 1 8 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.261 0.031 26045 1809 1 8 . 1 1 27 27 CYS C C 27 176.218 176.218 176.724 -0.506 26045 1810 1 8 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.119 -1.842 26045 1811 1 8 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.269 14.033 26045 1812 1 8 . 1 1 27 27 CYS H H 27 8.264 8.264 7.923 0.341 26045 1813 1 8 . 1 1 28 28 LYS N N 28 120.893 120.893 119.038 1.855 26045 1814 1 8 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.147 0.037 26045 1815 1 8 . 1 1 28 28 LYS C C 28 177.862 177.862 178.741 -0.879 26045 1816 1 8 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.653 -0.238 26045 1817 1 8 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.710 0.386 26045 1818 1 8 . 1 1 28 28 LYS H H 28 7.983 7.983 7.577 0.406 26045 1819 1 8 . 1 1 29 29 GLU N N 29 117.203 117.203 117.952 -0.749 26045 1820 1 8 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.260 0.104 26045 1821 1 8 . 1 1 29 29 GLU C C 29 176.937 176.937 177.016 -0.079 26045 1822 1 8 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.477 -0.695 26045 1823 1 8 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.592 0.748 26045 1824 1 8 . 1 1 29 29 GLU H H 29 8.110 8.110 8.018 0.092 26045 1825 1 8 . 1 1 30 30 GLY N N 30 109.260 109.260 108.672 0.588 26045 1826 1 8 . 1 1 30 30 GLY C C 30 174.162 174.162 173.818 0.344 26045 1827 1 8 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.834 0.662 26045 1828 1 8 . 1 1 30 30 GLY H H 30 7.990 7.990 7.813 0.177 26045 1829 1 8 . 1 1 31 31 THR N N 31 113.648 113.648 111.943 1.705 26045 1830 1 8 . 1 1 31 31 THR HA H 31 4.594 4.594 4.646 -0.052 26045 1831 1 8 . 1 1 31 31 THR C C 31 175.035 175.035 175.205 -0.170 26045 1832 1 8 . 1 1 31 31 THR CA C 31 60.974 60.974 60.137 0.837 26045 1833 1 8 . 1 1 31 31 THR CB C 31 70.524 70.524 72.120 -1.596 26045 1834 1 8 . 1 1 31 31 THR H H 31 8.257 8.257 7.754 0.503 26045 1835 1 8 . 1 1 32 32 SER N N 32 118.066 118.066 118.503 -0.437 26045 1836 1 8 . 1 1 32 32 SER HA H 32 4.360 4.360 4.101 0.259 26045 1837 1 8 . 1 1 32 32 SER C C 32 175.472 175.472 176.304 -0.832 26045 1838 1 8 . 1 1 32 32 SER CA C 32 59.857 59.857 62.091 -2.234 26045 1839 1 8 . 1 1 32 32 SER CB C 32 63.485 63.485 63.150 0.335 26045 1840 1 8 . 1 1 32 32 SER H H 32 8.633 8.633 8.774 -0.141 26045 1841 1 8 . 1 1 33 33 GLU N N 33 122.577 122.577 120.650 1.927 26045 1842 1 8 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.189 0.020 26045 1843 1 8 . 1 1 33 33 GLU C C 33 177.528 177.528 178.118 -0.590 26045 1844 1 8 . 1 1 33 33 GLU CA C 33 58.406 58.406 58.894 -0.488 26045 1845 1 8 . 1 1 33 33 GLU CB C 33 29.788 29.788 28.710 1.078 26045 1846 1 8 . 1 1 33 33 GLU H H 33 8.532 8.532 8.511 0.021 26045 1847 1 8 . 1 1 34 34 ASP N N 34 120.121 120.121 120.639 -0.518 26045 1848 1 8 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.433 0.054 26045 1849 1 8 . 1 1 34 34 ASP C C 34 177.605 177.605 177.888 -0.283 26045 1850 1 8 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.742 -0.916 26045 1851 1 8 . 1 1 34 34 ASP CB C 34 40.979 40.979 41.147 -0.168 26045 1852 1 8 . 1 1 34 34 ASP H H 34 8.122 8.122 7.570 0.552 26045 1853 1 8 . 1 1 35 35 ALA N N 35 123.997 123.997 122.696 1.301 26045 1854 1 8 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.026 -0.017 26045 1855 1 8 . 1 1 35 35 ALA C C 35 178.890 178.890 179.399 -0.509 26045 1856 1 8 . 1 1 35 35 ALA CA C 35 55.190 55.190 54.984 0.206 26045 1857 1 8 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.710 0.109 26045 1858 1 8 . 1 1 35 35 ALA H H 35 8.107 8.107 7.557 0.550 26045 1859 1 8 . 1 1 36 36 GLU N N 36 117.393 117.393 116.999 0.394 26045 1860 1 8 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.924 -0.007 26045 1861 1 8 . 1 1 36 36 GLU C C 36 178.505 178.505 178.623 -0.118 26045 1862 1 8 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.727 0.629 26045 1863 1 8 . 1 1 36 36 GLU H H 36 8.353 8.353 8.292 0.061 26045 1864 1 8 . 1 1 37 37 ARG N N 37 118.853 118.853 120.771 -1.918 26045 1865 1 8 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.155 -0.125 26045 1866 1 8 . 1 1 37 37 ARG C C 37 178.556 178.556 178.706 -0.150 26045 1867 1 8 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.257 0.448 26045 1868 1 8 . 1 1 37 37 ARG CB C 37 30.225 30.225 29.920 0.305 26045 1869 1 8 . 1 1 37 37 ARG H H 37 7.779 7.779 7.410 0.369 26045 1870 1 8 . 1 1 38 38 MET N N 38 118.299 118.299 117.089 1.210 26045 1871 1 8 . 1 1 38 38 MET HA H 38 4.231 4.231 4.337 -0.106 26045 1872 1 8 . 1 1 38 38 MET C C 38 177.811 177.811 178.418 -0.607 26045 1873 1 8 . 1 1 38 38 MET CA C 38 57.445 57.445 56.657 0.788 26045 1874 1 8 . 1 1 38 38 MET CB C 38 32.313 32.313 31.492 0.821 26045 1875 1 8 . 1 1 38 38 MET H H 38 7.960 7.960 8.089 -0.129 26045 1876 1 8 . 1 1 39 39 ALA N N 39 121.698 121.698 122.842 -1.144 26045 1877 1 8 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.065 -0.002 26045 1878 1 8 . 1 1 39 39 ALA C C 39 178.813 178.813 179.435 -0.622 26045 1879 1 8 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.417 -0.937 26045 1880 1 8 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.363 0.247 26045 1881 1 8 . 1 1 39 39 ALA H H 39 8.125 8.125 8.022 0.103 26045 1882 1 8 . 1 1 40 40 ARG N N 40 116.657 116.657 117.291 -0.634 26045 1883 1 8 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.056 0.118 26045 1884 1 8 . 1 1 40 40 ARG C C 40 177.220 177.220 178.043 -0.823 26045 1885 1 8 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.726 -0.915 26045 1886 1 8 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.869 0.252 26045 1887 1 8 . 1 1 40 40 ARG H H 40 7.738 7.738 7.653 0.085 26045 1888 1 8 . 1 1 41 41 ASN N N 41 116.193 116.193 116.031 0.162 26045 1889 1 8 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.716 0.018 26045 1890 1 8 . 1 1 41 41 ASN C C 41 175.369 175.369 176.640 -1.271 26045 1891 1 8 . 1 1 41 41 ASN CA C 41 53.837 53.837 55.189 -1.352 26045 1892 1 8 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.073 0.063 26045 1893 1 8 . 1 1 41 41 ASN H H 41 7.896 7.896 7.623 0.273 26045 1894 1 8 . 1 1 42 42 CYS N N 42 118.352 118.352 119.165 -0.813 26045 1895 1 8 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.242 0.321 26045 1896 1 8 . 1 1 42 42 CYS C C 42 174.213 174.213 175.087 -0.874 26045 1897 1 8 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.908 -3.863 26045 1898 1 8 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.423 14.296 26045 1899 1 8 . 1 1 42 42 CYS H H 42 7.997 7.997 8.021 -0.024 26045 1900 1 8 . 1 1 43 43 GLU N N 43 122.347 122.347 117.218 5.129 26045 1901 1 8 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.309 0.088 26045 1902 1 8 . 1 1 43 43 GLU C C 43 175.369 175.369 176.243 -0.874 26045 1903 1 8 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.252 0.456 26045 1904 1 8 . 1 1 43 43 GLU H H 43 8.307 8.307 8.172 0.135 26045 1905 1 9 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.453 0.048 26045 1906 1 9 . 1 1 2 2 PRO C C 2 178.016 178.016 176.630 1.386 26045 1907 1 9 . 1 1 2 2 PRO CA C 2 64.811 64.811 64.170 0.641 26045 1908 1 9 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.580 -0.320 26045 1909 1 9 . 1 1 3 3 CYS N N 3 117.098 117.098 114.979 2.119 26045 1910 1 9 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.767 -0.257 26045 1911 1 9 . 1 1 3 3 CYS C C 3 176.295 176.295 175.333 0.962 26045 1912 1 9 . 1 1 3 3 CYS CA C 3 57.465 57.465 58.135 -0.670 26045 1913 1 9 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.571 12.400 26045 1914 1 9 . 1 1 3 3 CYS H H 3 9.130 9.130 7.984 1.146 26045 1915 1 9 . 1 1 4 4 GLU N N 4 121.091 121.091 121.910 -0.819 26045 1916 1 9 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.052 0.022 26045 1917 1 9 . 1 1 4 4 GLU C C 4 178.196 178.196 177.893 0.303 26045 1918 1 9 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.054 0.488 26045 1919 1 9 . 1 1 4 4 GLU H H 4 8.177 8.177 8.956 -0.779 26045 1920 1 9 . 1 1 5 5 ASP N N 5 119.768 119.768 120.088 -0.320 26045 1921 1 9 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.406 0.055 26045 1922 1 9 . 1 1 5 5 ASP C C 5 178.273 178.273 178.378 -0.105 26045 1923 1 9 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.441 -1.016 26045 1924 1 9 . 1 1 5 5 ASP CB C 5 40.172 40.172 39.912 0.260 26045 1925 1 9 . 1 1 5 5 ASP H H 5 8.064 8.064 8.695 -0.631 26045 1926 1 9 . 1 1 6 6 LEU N N 6 121.053 121.053 120.506 0.547 26045 1927 1 9 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.065 -0.037 26045 1928 1 9 . 1 1 6 6 LEU C C 6 177.811 177.811 178.093 -0.282 26045 1929 1 9 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.610 0.316 26045 1930 1 9 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.962 -0.083 26045 1931 1 9 . 1 1 6 6 LEU H H 6 7.785 7.785 7.714 0.071 26045 1932 1 9 . 1 1 7 7 LYS N N 7 117.877 117.877 119.490 -1.613 26045 1933 1 9 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.873 -0.078 26045 1934 1 9 . 1 1 7 7 LYS C C 7 178.710 178.710 178.753 -0.043 26045 1935 1 9 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.727 0.577 26045 1936 1 9 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.246 0.038 26045 1937 1 9 . 1 1 7 7 LYS H H 7 7.995 7.995 8.180 -0.185 26045 1938 1 9 . 1 1 8 8 GLU N N 8 117.399 117.399 118.334 -0.935 26045 1939 1 9 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.072 0.025 26045 1940 1 9 . 1 1 8 8 GLU C C 8 178.916 178.916 179.293 -0.377 26045 1941 1 9 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.082 -0.393 26045 1942 1 9 . 1 1 8 8 GLU H H 8 7.760 7.760 7.940 -0.180 26045 1943 1 9 . 1 1 9 9 ARG N N 9 120.362 120.362 119.697 0.665 26045 1944 1 9 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.079 -0.021 26045 1945 1 9 . 1 1 9 9 ARG C C 9 178.967 178.967 179.188 -0.221 26045 1946 1 9 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.115 0.214 26045 1947 1 9 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.061 0.295 26045 1948 1 9 . 1 1 9 9 ARG H H 9 7.996 7.996 7.641 0.355 26045 1949 1 9 . 1 1 10 10 LEU N N 10 117.258 117.258 119.056 -1.798 26045 1950 1 9 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.053 0.033 26045 1951 1 9 . 1 1 10 10 LEU C C 10 177.566 177.566 178.816 -1.250 26045 1952 1 9 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.738 -0.616 26045 1953 1 9 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.578 -0.191 26045 1954 1 9 . 1 1 10 10 LEU H H 10 8.341 8.341 7.749 0.592 26045 1955 1 9 . 1 1 11 11 LYS N N 11 119.034 119.034 117.737 1.297 26045 1956 1 9 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.023 0.016 26045 1957 1 9 . 1 1 11 11 LYS C C 11 178.736 178.736 179.135 -0.399 26045 1958 1 9 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.384 -0.249 26045 1959 1 9 . 1 1 11 11 LYS H H 11 7.707 7.707 7.595 0.112 26045 1960 1 9 . 1 1 12 12 LYS N N 12 119.013 119.013 118.853 0.160 26045 1961 1 9 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.114 0.074 26045 1962 1 9 . 1 1 12 12 LYS C C 12 178.960 178.960 179.267 -0.307 26045 1963 1 9 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.176 -0.361 26045 1964 1 9 . 1 1 12 12 LYS H H 12 7.709 7.709 7.921 -0.212 26045 1965 1 9 . 1 1 13 13 LEU N N 13 119.078 119.078 118.276 0.802 26045 1966 1 9 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.189 0.121 26045 1967 1 9 . 1 1 13 13 LEU C C 13 177.606 177.606 176.791 0.815 26045 1968 1 9 . 1 1 13 13 LEU CA C 13 55.418 55.418 54.804 0.614 26045 1969 1 9 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.693 0.188 26045 1970 1 9 . 1 1 13 13 LEU H H 13 7.705 7.705 7.529 0.176 26045 1971 1 9 . 1 1 14 14 GLY N N 14 108.342 108.342 107.468 0.874 26045 1972 1 9 . 1 1 14 14 GLY C C 14 174.367 174.367 174.930 -0.563 26045 1973 1 9 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.309 0.650 26045 1974 1 9 . 1 1 14 14 GLY H H 14 8.107 8.107 7.437 0.670 26045 1975 1 9 . 1 1 15 15 MET N N 15 119.054 119.054 116.444 2.610 26045 1976 1 9 . 1 1 15 15 MET HA H 15 4.512 4.512 4.577 -0.065 26045 1977 1 9 . 1 1 15 15 MET C C 15 175.916 175.916 176.652 -0.736 26045 1978 1 9 . 1 1 15 15 MET CA C 15 55.467 55.467 55.853 -0.386 26045 1979 1 9 . 1 1 15 15 MET CB C 15 34.560 34.560 33.374 1.186 26045 1980 1 9 . 1 1 15 15 MET H H 15 7.686 7.686 7.392 0.294 26045 1981 1 9 . 1 1 16 16 SER N N 16 120.057 120.057 115.761 4.296 26045 1982 1 9 . 1 1 16 16 SER HA H 16 4.400 4.400 4.357 0.043 26045 1983 1 9 . 1 1 16 16 SER C C 16 174.742 174.742 175.640 -0.898 26045 1984 1 9 . 1 1 16 16 SER CA C 16 57.747 57.747 58.603 -0.856 26045 1985 1 9 . 1 1 16 16 SER CB C 16 64.785 64.785 63.635 1.150 26045 1986 1 9 . 1 1 16 16 SER H H 16 8.948 8.948 8.549 0.399 26045 1987 1 9 . 1 1 17 17 GLU N N 17 123.142 123.142 125.324 -2.182 26045 1988 1 9 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.944 0.047 26045 1989 1 9 . 1 1 17 17 GLU C C 17 178.556 178.556 177.989 0.567 26045 1990 1 9 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.417 0.293 26045 1991 1 9 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.724 -0.498 26045 1992 1 9 . 1 1 17 17 GLU H H 17 9.035 9.035 8.892 0.143 26045 1993 1 9 . 1 1 18 18 GLU N N 18 118.705 118.705 118.772 -0.067 26045 1994 1 9 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.173 -0.144 26045 1995 1 9 . 1 1 18 18 GLU C C 18 179.173 179.173 178.145 1.028 26045 1996 1 9 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.831 1.089 26045 1997 1 9 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.521 -0.541 26045 1998 1 9 . 1 1 18 18 GLU H H 18 8.790 8.790 8.393 0.397 26045 1999 1 9 . 1 1 19 19 CYS N N 19 118.720 118.720 118.306 0.414 26045 2000 1 9 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.265 0.026 26045 2001 1 9 . 1 1 19 19 CYS C C 19 176.295 176.295 177.326 -1.031 26045 2002 1 9 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.467 -3.182 26045 2003 1 9 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.598 13.777 26045 2004 1 9 . 1 1 19 19 CYS H H 19 7.875 7.875 7.838 0.037 26045 2005 1 9 . 1 1 20 20 ARG N N 20 120.027 120.027 119.182 0.845 26045 2006 1 9 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.037 -0.183 26045 2007 1 9 . 1 1 20 20 ARG C C 20 178.633 178.633 179.152 -0.519 26045 2008 1 9 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.177 1.451 26045 2009 1 9 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.040 0.811 26045 2010 1 9 . 1 1 20 20 ARG H H 20 8.507 8.507 7.759 0.748 26045 2011 1 9 . 1 1 21 21 GLN N N 21 117.558 117.558 118.475 -0.917 26045 2012 1 9 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.048 -0.024 26045 2013 1 9 . 1 1 21 21 GLN C C 21 179.122 179.122 178.564 0.558 26045 2014 1 9 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.739 0.305 26045 2015 1 9 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.334 -0.053 26045 2016 1 9 . 1 1 21 21 GLN H H 21 8.379 8.379 7.780 0.599 26045 2017 1 9 . 1 1 22 22 ARG N N 22 120.355 120.355 119.455 0.900 26045 2018 1 9 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.152 -0.093 26045 2019 1 9 . 1 1 22 22 ARG C C 22 178.967 178.967 178.691 0.276 26045 2020 1 9 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.002 0.415 26045 2021 1 9 . 1 1 22 22 ARG H H 22 7.859 7.859 7.720 0.139 26045 2022 1 9 . 1 1 23 23 LEU N N 23 120.539 120.539 120.291 0.248 26045 2023 1 9 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.044 0.004 26045 2024 1 9 . 1 1 23 23 LEU C C 23 178.890 178.890 178.734 0.156 26045 2025 1 9 . 1 1 23 23 LEU CA C 23 58.018 58.018 58.049 -0.031 26045 2026 1 9 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.738 -0.310 26045 2027 1 9 . 1 1 23 23 LEU H H 23 8.332 8.332 8.351 -0.019 26045 2028 1 9 . 1 1 24 24 GLU N N 24 119.377 119.377 119.050 0.327 26045 2029 1 9 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.976 -0.118 26045 2030 1 9 . 1 1 24 24 GLU C C 24 178.762 178.762 178.816 -0.054 26045 2031 1 9 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.599 0.363 26045 2032 1 9 . 1 1 24 24 GLU H H 24 8.296 8.296 8.174 0.122 26045 2033 1 9 . 1 1 25 25 LYS N N 25 118.971 118.971 119.467 -0.496 26045 2034 1 9 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.104 -0.050 26045 2035 1 9 . 1 1 25 25 LYS C C 25 178.402 178.402 179.148 -0.746 26045 2036 1 9 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.322 0.048 26045 2037 1 9 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.265 0.330 26045 2038 1 9 . 1 1 25 25 LYS H H 25 7.637 7.637 7.569 0.068 26045 2039 1 9 . 1 1 26 26 MET N N 26 117.688 117.688 117.836 -0.148 26045 2040 1 9 . 1 1 26 26 MET HA H 26 4.199 4.199 4.295 -0.096 26045 2041 1 9 . 1 1 26 26 MET C C 26 178.222 178.222 178.280 -0.058 26045 2042 1 9 . 1 1 26 26 MET CA C 26 58.414 58.414 57.398 1.016 26045 2043 1 9 . 1 1 26 26 MET CB C 26 33.182 33.182 31.762 1.420 26045 2044 1 9 . 1 1 26 26 MET H H 26 7.953 7.953 8.021 -0.068 26045 2045 1 9 . 1 1 27 27 CYS N N 27 117.669 117.669 117.133 0.536 26045 2046 1 9 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.300 -0.008 26045 2047 1 9 . 1 1 27 27 CYS C C 27 176.218 176.218 176.400 -0.182 26045 2048 1 9 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.336 -1.059 26045 2049 1 9 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.351 13.951 26045 2050 1 9 . 1 1 27 27 CYS H H 27 8.264 8.264 7.869 0.395 26045 2051 1 9 . 1 1 28 28 LYS N N 28 120.893 120.893 119.092 1.801 26045 2052 1 9 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.131 0.053 26045 2053 1 9 . 1 1 28 28 LYS C C 28 177.862 177.862 178.395 -0.533 26045 2054 1 9 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.603 -0.188 26045 2055 1 9 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.856 0.240 26045 2056 1 9 . 1 1 28 28 LYS H H 28 7.983 7.983 7.651 0.332 26045 2057 1 9 . 1 1 29 29 GLU N N 29 117.203 117.203 118.079 -0.876 26045 2058 1 9 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.355 0.009 26045 2059 1 9 . 1 1 29 29 GLU C C 29 176.937 176.937 176.075 0.862 26045 2060 1 9 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.519 0.264 26045 2061 1 9 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.019 0.321 26045 2062 1 9 . 1 1 29 29 GLU H H 29 8.110 8.110 8.078 0.032 26045 2063 1 9 . 1 1 30 30 GLY N N 30 109.260 109.260 109.152 0.108 26045 2064 1 9 . 1 1 30 30 GLY C C 30 174.162 174.162 173.263 0.899 26045 2065 1 9 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.528 -0.032 26045 2066 1 9 . 1 1 30 30 GLY H H 30 7.990 7.990 7.624 0.366 26045 2067 1 9 . 1 1 31 31 THR N N 31 113.648 113.648 113.934 -0.286 26045 2068 1 9 . 1 1 31 31 THR HA H 31 4.594 4.594 4.684 -0.090 26045 2069 1 9 . 1 1 31 31 THR C C 31 175.035 175.035 175.528 -0.493 26045 2070 1 9 . 1 1 31 31 THR CA C 31 60.974 60.974 60.397 0.577 26045 2071 1 9 . 1 1 31 31 THR CB C 31 70.524 70.524 71.936 -1.412 26045 2072 1 9 . 1 1 31 31 THR H H 31 8.257 8.257 7.916 0.341 26045 2073 1 9 . 1 1 32 32 SER N N 32 118.066 118.066 119.569 -1.503 26045 2074 1 9 . 1 1 32 32 SER HA H 32 4.360 4.360 4.087 0.273 26045 2075 1 9 . 1 1 32 32 SER C C 32 175.472 175.472 176.003 -0.531 26045 2076 1 9 . 1 1 32 32 SER CA C 32 59.857 59.857 62.319 -2.462 26045 2077 1 9 . 1 1 32 32 SER CB C 32 63.485 63.485 62.982 0.503 26045 2078 1 9 . 1 1 32 32 SER H H 32 8.633 8.633 8.956 -0.323 26045 2079 1 9 . 1 1 33 33 GLU N N 33 122.577 122.577 119.208 3.369 26045 2080 1 9 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.261 -0.052 26045 2081 1 9 . 1 1 33 33 GLU C C 33 177.528 177.528 178.478 -0.950 26045 2082 1 9 . 1 1 33 33 GLU CA C 33 58.406 58.406 58.910 -0.504 26045 2083 1 9 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.026 0.763 26045 2084 1 9 . 1 1 33 33 GLU H H 33 8.532 8.532 8.746 -0.214 26045 2085 1 9 . 1 1 34 34 ASP N N 34 120.121 120.121 120.968 -0.847 26045 2086 1 9 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.403 0.084 26045 2087 1 9 . 1 1 34 34 ASP C C 34 177.605 177.605 177.916 -0.311 26045 2088 1 9 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.044 -1.218 26045 2089 1 9 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.917 0.062 26045 2090 1 9 . 1 1 34 34 ASP H H 34 8.122 8.122 7.624 0.498 26045 2091 1 9 . 1 1 35 35 ALA N N 35 123.997 123.997 121.394 2.603 26045 2092 1 9 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.119 -0.110 26045 2093 1 9 . 1 1 35 35 ALA C C 35 178.890 178.890 179.748 -0.858 26045 2094 1 9 . 1 1 35 35 ALA CA C 35 55.190 55.190 54.941 0.249 26045 2095 1 9 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.569 0.250 26045 2096 1 9 . 1 1 35 35 ALA H H 35 8.107 8.107 7.542 0.565 26045 2097 1 9 . 1 1 36 36 GLU N N 36 117.393 117.393 117.185 0.208 26045 2098 1 9 . 1 1 36 36 GLU HA H 36 3.917 3.917 4.002 -0.085 26045 2099 1 9 . 1 1 36 36 GLU C C 36 178.505 178.505 178.673 -0.168 26045 2100 1 9 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.645 0.711 26045 2101 1 9 . 1 1 36 36 GLU H H 36 8.353 8.353 8.299 0.054 26045 2102 1 9 . 1 1 37 37 ARG N N 37 118.853 118.853 120.365 -1.512 26045 2103 1 9 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.079 -0.049 26045 2104 1 9 . 1 1 37 37 ARG C C 37 178.556 178.556 179.075 -0.519 26045 2105 1 9 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.075 -0.370 26045 2106 1 9 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.198 0.027 26045 2107 1 9 . 1 1 37 37 ARG H H 37 7.779 7.779 7.551 0.228 26045 2108 1 9 . 1 1 38 38 MET N N 38 118.299 118.299 116.799 1.500 26045 2109 1 9 . 1 1 38 38 MET HA H 38 4.231 4.231 4.340 -0.109 26045 2110 1 9 . 1 1 38 38 MET C C 38 177.811 177.811 178.296 -0.485 26045 2111 1 9 . 1 1 38 38 MET CA C 38 57.445 57.445 56.623 0.822 26045 2112 1 9 . 1 1 38 38 MET CB C 38 32.313 32.313 31.476 0.837 26045 2113 1 9 . 1 1 38 38 MET H H 38 7.960 7.960 7.991 -0.031 26045 2114 1 9 . 1 1 39 39 ALA N N 39 121.698 121.698 122.623 -0.925 26045 2115 1 9 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.088 -0.025 26045 2116 1 9 . 1 1 39 39 ALA C C 39 178.813 178.813 179.034 -0.221 26045 2117 1 9 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.008 -0.527 26045 2118 1 9 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.646 -0.036 26045 2119 1 9 . 1 1 39 39 ALA H H 39 8.125 8.125 7.855 0.270 26045 2120 1 9 . 1 1 40 40 ARG N N 40 116.657 116.657 116.923 -0.266 26045 2121 1 9 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.037 0.137 26045 2122 1 9 . 1 1 40 40 ARG C C 40 177.220 177.220 178.230 -1.010 26045 2123 1 9 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.877 -1.066 26045 2124 1 9 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.802 0.319 26045 2125 1 9 . 1 1 40 40 ARG H H 40 7.738 7.738 7.957 -0.219 26045 2126 1 9 . 1 1 41 41 ASN N N 41 116.193 116.193 117.618 -1.425 26045 2127 1 9 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.638 0.096 26045 2128 1 9 . 1 1 41 41 ASN C C 41 175.369 175.369 176.020 -0.651 26045 2129 1 9 . 1 1 41 41 ASN CA C 41 53.837 53.837 55.347 -1.510 26045 2130 1 9 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.837 0.299 26045 2131 1 9 . 1 1 41 41 ASN H H 41 7.896 7.896 7.894 0.002 26045 2132 1 9 . 1 1 42 42 CYS N N 42 118.352 118.352 119.475 -1.123 26045 2133 1 9 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.467 0.096 26045 2134 1 9 . 1 1 42 42 CYS C C 42 174.213 174.213 174.200 0.013 26045 2135 1 9 . 1 1 42 42 CYS CA C 42 57.045 57.045 58.823 -1.778 26045 2136 1 9 . 1 1 42 42 CYS CB C 42 41.719 41.719 25.742 15.977 26045 2137 1 9 . 1 1 42 42 CYS H H 42 7.997 7.997 7.441 0.556 26045 2138 1 9 . 1 1 43 43 GLU N N 43 122.347 122.347 117.658 4.689 26045 2139 1 9 . 1 1 43 43 GLU HA H 43 4.397 4.397 3.939 0.458 26045 2140 1 9 . 1 1 43 43 GLU C C 43 175.369 175.369 175.829 -0.460 26045 2141 1 9 . 1 1 43 43 GLU CA C 43 56.708 56.708 57.510 -0.802 26045 2142 1 9 . 1 1 43 43 GLU H H 43 8.307 8.307 8.040 0.267 26045 2143 1 10 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.406 0.095 26045 2144 1 10 . 1 1 2 2 PRO C C 2 178.016 178.016 176.313 1.703 26045 2145 1 10 . 1 1 2 2 PRO CA C 2 64.811 64.811 64.528 0.283 26045 2146 1 10 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.603 -0.344 26045 2147 1 10 . 1 1 3 3 CYS N N 3 117.098 117.098 113.776 3.322 26045 2148 1 10 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.787 -0.277 26045 2149 1 10 . 1 1 3 3 CYS C C 3 176.295 176.295 176.002 0.293 26045 2150 1 10 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.015 -1.550 26045 2151 1 10 . 1 1 3 3 CYS CB C 3 39.971 39.971 28.053 11.918 26045 2152 1 10 . 1 1 3 3 CYS H H 3 9.130 9.130 7.888 1.242 26045 2153 1 10 . 1 1 4 4 GLU N N 4 121.091 121.091 121.389 -0.298 26045 2154 1 10 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.104 -0.030 26045 2155 1 10 . 1 1 4 4 GLU C C 4 178.196 178.196 178.088 0.108 26045 2156 1 10 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.752 -0.210 26045 2157 1 10 . 1 1 4 4 GLU H H 4 8.177 8.177 8.835 -0.658 26045 2158 1 10 . 1 1 5 5 ASP N N 5 119.768 119.768 119.236 0.532 26045 2159 1 10 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.342 0.119 26045 2160 1 10 . 1 1 5 5 ASP C C 5 178.273 178.273 178.017 0.256 26045 2161 1 10 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.102 -0.678 26045 2162 1 10 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.698 -0.526 26045 2163 1 10 . 1 1 5 5 ASP H H 5 8.064 8.064 8.004 0.060 26045 2164 1 10 . 1 1 6 6 LEU N N 6 121.053 121.053 119.750 1.303 26045 2165 1 10 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.072 -0.044 26045 2166 1 10 . 1 1 6 6 LEU C C 6 177.811 177.811 178.270 -0.459 26045 2167 1 10 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.778 0.148 26045 2168 1 10 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.914 -0.035 26045 2169 1 10 . 1 1 6 6 LEU H H 6 7.785 7.785 7.672 0.113 26045 2170 1 10 . 1 1 7 7 LYS N N 7 117.877 117.877 118.736 -0.859 26045 2171 1 10 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.990 -0.195 26045 2172 1 10 . 1 1 7 7 LYS C C 7 178.710 178.710 178.738 -0.028 26045 2173 1 10 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.274 1.030 26045 2174 1 10 . 1 1 7 7 LYS CB C 7 32.284 32.284 31.742 0.542 26045 2175 1 10 . 1 1 7 7 LYS H H 7 7.995 7.995 7.951 0.044 26045 2176 1 10 . 1 1 8 8 GLU N N 8 117.399 117.399 119.079 -1.680 26045 2177 1 10 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.115 -0.018 26045 2178 1 10 . 1 1 8 8 GLU C C 8 178.916 178.916 179.007 -0.091 26045 2179 1 10 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.084 -0.396 26045 2180 1 10 . 1 1 8 8 GLU H H 8 7.760 7.760 7.761 -0.001 26045 2181 1 10 . 1 1 9 9 ARG N N 9 120.362 120.362 120.098 0.264 26045 2182 1 10 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.123 -0.065 26045 2183 1 10 . 1 1 9 9 ARG C C 9 178.967 178.967 178.868 0.099 26045 2184 1 10 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.062 0.267 26045 2185 1 10 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.013 0.343 26045 2186 1 10 . 1 1 9 9 ARG H H 9 7.996 7.996 7.437 0.559 26045 2187 1 10 . 1 1 10 10 LEU N N 10 117.258 117.258 118.856 -1.598 26045 2188 1 10 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.086 0.000 26045 2189 1 10 . 1 1 10 10 LEU C C 10 177.566 177.566 178.474 -0.908 26045 2190 1 10 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.796 -0.674 26045 2191 1 10 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.270 0.116 26045 2192 1 10 . 1 1 10 10 LEU H H 10 8.341 8.341 7.861 0.480 26045 2193 1 10 . 1 1 11 11 LYS N N 11 119.034 119.034 118.313 0.721 26045 2194 1 10 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.036 0.003 26045 2195 1 10 . 1 1 11 11 LYS C C 11 178.736 178.736 179.065 -0.329 26045 2196 1 10 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.452 -0.317 26045 2197 1 10 . 1 1 11 11 LYS H H 11 7.707 7.707 7.447 0.260 26045 2198 1 10 . 1 1 12 12 LYS N N 12 119.013 119.013 119.852 -0.839 26045 2199 1 10 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.112 0.076 26045 2200 1 10 . 1 1 12 12 LYS C C 12 178.960 178.960 179.375 -0.415 26045 2201 1 10 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.681 -0.866 26045 2202 1 10 . 1 1 12 12 LYS H H 12 7.709 7.709 7.858 -0.149 26045 2203 1 10 . 1 1 13 13 LEU N N 13 119.078 119.078 117.277 1.801 26045 2204 1 10 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.189 0.121 26045 2205 1 10 . 1 1 13 13 LEU C C 13 177.606 177.606 177.283 0.323 26045 2206 1 10 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.080 0.338 26045 2207 1 10 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.529 0.352 26045 2208 1 10 . 1 1 13 13 LEU H H 13 7.705 7.705 7.908 -0.203 26045 2209 1 10 . 1 1 14 14 GLY N N 14 108.342 108.342 107.992 0.350 26045 2210 1 10 . 1 1 14 14 GLY C C 14 174.367 174.367 174.330 0.037 26045 2211 1 10 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.224 0.734 26045 2212 1 10 . 1 1 14 14 GLY H H 14 8.107 8.107 7.491 0.616 26045 2213 1 10 . 1 1 15 15 MET N N 15 119.054 119.054 117.837 1.217 26045 2214 1 10 . 1 1 15 15 MET HA H 15 4.512 4.512 4.772 -0.260 26045 2215 1 10 . 1 1 15 15 MET C C 15 175.916 175.916 175.751 0.165 26045 2216 1 10 . 1 1 15 15 MET CA C 15 55.467 55.467 54.350 1.117 26045 2217 1 10 . 1 1 15 15 MET CB C 15 34.560 34.560 33.959 0.601 26045 2218 1 10 . 1 1 15 15 MET H H 15 7.686 7.686 7.632 0.054 26045 2219 1 10 . 1 1 16 16 SER N N 16 120.057 120.057 116.325 3.732 26045 2220 1 10 . 1 1 16 16 SER HA H 16 4.400 4.400 4.560 -0.160 26045 2221 1 10 . 1 1 16 16 SER C C 16 174.742 174.742 175.707 -0.965 26045 2222 1 10 . 1 1 16 16 SER CA C 16 57.747 57.747 58.049 -0.302 26045 2223 1 10 . 1 1 16 16 SER CB C 16 64.785 64.785 64.050 0.735 26045 2224 1 10 . 1 1 16 16 SER H H 16 8.948 8.948 8.565 0.383 26045 2225 1 10 . 1 1 17 17 GLU N N 17 123.142 123.142 124.047 -0.905 26045 2226 1 10 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.890 0.101 26045 2227 1 10 . 1 1 17 17 GLU C C 17 178.556 178.556 178.700 -0.144 26045 2228 1 10 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.056 -0.346 26045 2229 1 10 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.558 -0.332 26045 2230 1 10 . 1 1 17 17 GLU H H 17 9.035 9.035 9.034 0.001 26045 2231 1 10 . 1 1 18 18 GLU N N 18 118.705 118.705 119.877 -1.172 26045 2232 1 10 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.287 -0.258 26045 2233 1 10 . 1 1 18 18 GLU C C 18 179.173 179.173 178.605 0.568 26045 2234 1 10 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.094 0.827 26045 2235 1 10 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.364 -0.384 26045 2236 1 10 . 1 1 18 18 GLU H H 18 8.790 8.790 8.740 0.050 26045 2237 1 10 . 1 1 19 19 CYS N N 19 118.720 118.720 118.868 -0.148 26045 2238 1 10 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.148 0.143 26045 2239 1 10 . 1 1 19 19 CYS C C 19 176.295 176.295 177.296 -1.001 26045 2240 1 10 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.038 -2.753 26045 2241 1 10 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.107 14.268 26045 2242 1 10 . 1 1 19 19 CYS H H 19 7.875 7.875 7.404 0.471 26045 2243 1 10 . 1 1 20 20 ARG N N 20 120.027 120.027 119.927 0.100 26045 2244 1 10 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.937 -0.083 26045 2245 1 10 . 1 1 20 20 ARG C C 20 178.633 178.633 179.305 -0.672 26045 2246 1 10 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.816 0.812 26045 2247 1 10 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.840 0.011 26045 2248 1 10 . 1 1 20 20 ARG H H 20 8.507 8.507 7.762 0.745 26045 2249 1 10 . 1 1 21 21 GLN N N 21 117.558 117.558 117.786 -0.228 26045 2250 1 10 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.047 -0.023 26045 2251 1 10 . 1 1 21 21 GLN C C 21 179.122 179.122 178.309 0.813 26045 2252 1 10 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.714 0.330 26045 2253 1 10 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.273 0.008 26045 2254 1 10 . 1 1 21 21 GLN H H 21 8.379 8.379 7.938 0.441 26045 2255 1 10 . 1 1 22 22 ARG N N 22 120.355 120.355 118.500 1.855 26045 2256 1 10 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.059 0.000 26045 2257 1 10 . 1 1 22 22 ARG C C 22 178.967 178.967 178.290 0.677 26045 2258 1 10 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.512 -0.096 26045 2259 1 10 . 1 1 22 22 ARG H H 22 7.859 7.859 7.768 0.091 26045 2260 1 10 . 1 1 23 23 LEU N N 23 120.539 120.539 119.881 0.658 26045 2261 1 10 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.079 -0.031 26045 2262 1 10 . 1 1 23 23 LEU C C 23 178.890 178.890 179.015 -0.125 26045 2263 1 10 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.622 0.396 26045 2264 1 10 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.718 -0.289 26045 2265 1 10 . 1 1 23 23 LEU H H 23 8.332 8.332 7.979 0.353 26045 2266 1 10 . 1 1 24 24 GLU N N 24 119.377 119.377 119.170 0.207 26045 2267 1 10 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.900 -0.042 26045 2268 1 10 . 1 1 24 24 GLU C C 24 178.762 178.762 178.872 -0.110 26045 2269 1 10 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.594 0.368 26045 2270 1 10 . 1 1 24 24 GLU H H 24 8.296 8.296 8.345 -0.049 26045 2271 1 10 . 1 1 25 25 LYS N N 25 118.971 118.971 119.336 -0.365 26045 2272 1 10 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.073 -0.019 26045 2273 1 10 . 1 1 25 25 LYS C C 25 178.402 178.402 179.045 -0.643 26045 2274 1 10 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.087 0.283 26045 2275 1 10 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.307 0.288 26045 2276 1 10 . 1 1 25 25 LYS H H 25 7.637 7.637 7.777 -0.140 26045 2277 1 10 . 1 1 26 26 MET N N 26 117.688 117.688 118.354 -0.666 26045 2278 1 10 . 1 1 26 26 MET HA H 26 4.199 4.199 4.263 -0.064 26045 2279 1 10 . 1 1 26 26 MET C C 26 178.222 178.222 178.844 -0.622 26045 2280 1 10 . 1 1 26 26 MET CA C 26 58.414 58.414 59.087 -0.673 26045 2281 1 10 . 1 1 26 26 MET CB C 26 33.182 33.182 32.533 0.649 26045 2282 1 10 . 1 1 26 26 MET H H 26 7.953 7.953 8.199 -0.246 26045 2283 1 10 . 1 1 27 27 CYS N N 27 117.669 117.669 116.869 0.800 26045 2284 1 10 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.319 -0.027 26045 2285 1 10 . 1 1 27 27 CYS C C 27 176.218 176.218 176.013 0.205 26045 2286 1 10 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.746 -1.469 26045 2287 1 10 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.358 13.944 26045 2288 1 10 . 1 1 27 27 CYS H H 27 8.264 8.264 8.098 0.166 26045 2289 1 10 . 1 1 28 28 LYS N N 28 120.893 120.893 118.233 2.660 26045 2290 1 10 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.255 -0.071 26045 2291 1 10 . 1 1 28 28 LYS C C 28 177.862 177.862 178.182 -0.320 26045 2292 1 10 . 1 1 28 28 LYS CA C 28 58.415 58.415 57.596 0.819 26045 2293 1 10 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.781 0.315 26045 2294 1 10 . 1 1 28 28 LYS H H 28 7.983 7.983 7.620 0.363 26045 2295 1 10 . 1 1 29 29 GLU N N 29 117.203 117.203 117.619 -0.416 26045 2296 1 10 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.227 0.137 26045 2297 1 10 . 1 1 29 29 GLU C C 29 176.937 176.937 177.440 -0.503 26045 2298 1 10 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.978 -1.195 26045 2299 1 10 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.442 -0.102 26045 2300 1 10 . 1 1 29 29 GLU H H 29 8.110 8.110 8.265 -0.155 26045 2301 1 10 . 1 1 30 30 GLY N N 30 109.260 109.260 107.122 2.138 26045 2302 1 10 . 1 1 30 30 GLY C C 30 174.162 174.162 173.631 0.531 26045 2303 1 10 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.645 -0.149 26045 2304 1 10 . 1 1 30 30 GLY H H 30 7.990 7.990 8.150 -0.160 26045 2305 1 10 . 1 1 31 31 THR N N 31 113.648 113.648 115.736 -2.088 26045 2306 1 10 . 1 1 31 31 THR HA H 31 4.594 4.594 4.822 -0.228 26045 2307 1 10 . 1 1 31 31 THR C C 31 175.035 175.035 175.102 -0.067 26045 2308 1 10 . 1 1 31 31 THR CA C 31 60.974 60.974 60.831 0.143 26045 2309 1 10 . 1 1 31 31 THR CB C 31 70.524 70.524 72.323 -1.798 26045 2310 1 10 . 1 1 31 31 THR H H 31 8.257 8.257 7.751 0.506 26045 2311 1 10 . 1 1 32 32 SER N N 32 118.066 118.066 118.983 -0.917 26045 2312 1 10 . 1 1 32 32 SER HA H 32 4.360 4.360 4.103 0.257 26045 2313 1 10 . 1 1 32 32 SER C C 32 175.472 175.472 176.093 -0.621 26045 2314 1 10 . 1 1 32 32 SER CA C 32 59.857 59.857 61.513 -1.656 26045 2315 1 10 . 1 1 32 32 SER CB C 32 63.485 63.485 63.093 0.393 26045 2316 1 10 . 1 1 32 32 SER H H 32 8.633 8.633 8.902 -0.269 26045 2317 1 10 . 1 1 33 33 GLU N N 33 122.577 122.577 122.829 -0.252 26045 2318 1 10 . 1 1 33 33 GLU HA H 33 4.209 4.209 3.986 0.223 26045 2319 1 10 . 1 1 33 33 GLU C C 33 177.528 177.528 178.425 -0.897 26045 2320 1 10 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.475 -1.069 26045 2321 1 10 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.201 0.587 26045 2322 1 10 . 1 1 33 33 GLU H H 33 8.532 8.532 8.615 -0.083 26045 2323 1 10 . 1 1 34 34 ASP N N 34 120.121 120.121 118.991 1.130 26045 2324 1 10 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.519 -0.032 26045 2325 1 10 . 1 1 34 34 ASP C C 34 177.605 177.605 177.723 -0.118 26045 2326 1 10 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.370 -1.544 26045 2327 1 10 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.318 0.661 26045 2328 1 10 . 1 1 34 34 ASP H H 34 8.122 8.122 7.855 0.267 26045 2329 1 10 . 1 1 35 35 ALA N N 35 123.997 123.997 123.283 0.714 26045 2330 1 10 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.074 -0.065 26045 2331 1 10 . 1 1 35 35 ALA C C 35 178.890 178.890 179.084 -0.194 26045 2332 1 10 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.053 0.137 26045 2333 1 10 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.600 0.219 26045 2334 1 10 . 1 1 35 35 ALA H H 35 8.107 8.107 7.395 0.712 26045 2335 1 10 . 1 1 36 36 GLU N N 36 117.393 117.393 117.386 0.007 26045 2336 1 10 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.971 -0.054 26045 2337 1 10 . 1 1 36 36 GLU C C 36 178.505 178.505 178.483 0.022 26045 2338 1 10 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.653 0.703 26045 2339 1 10 . 1 1 36 36 GLU H H 36 8.353 8.353 8.333 0.020 26045 2340 1 10 . 1 1 37 37 ARG N N 37 118.853 118.853 121.157 -2.304 26045 2341 1 10 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.073 -0.043 26045 2342 1 10 . 1 1 37 37 ARG C C 37 178.556 178.556 178.959 -0.403 26045 2343 1 10 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.041 -0.336 26045 2344 1 10 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.177 0.048 26045 2345 1 10 . 1 1 37 37 ARG H H 37 7.779 7.779 7.717 0.062 26045 2346 1 10 . 1 1 38 38 MET N N 38 118.299 118.299 116.710 1.589 26045 2347 1 10 . 1 1 38 38 MET HA H 38 4.231 4.231 4.399 -0.168 26045 2348 1 10 . 1 1 38 38 MET C C 38 177.811 177.811 178.143 -0.332 26045 2349 1 10 . 1 1 38 38 MET CA C 38 57.445 57.445 56.935 0.510 26045 2350 1 10 . 1 1 38 38 MET CB C 38 32.313 32.313 31.868 0.445 26045 2351 1 10 . 1 1 38 38 MET H H 38 7.960 7.960 7.994 -0.034 26045 2352 1 10 . 1 1 39 39 ALA N N 39 121.698 121.698 121.530 0.168 26045 2353 1 10 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.074 -0.011 26045 2354 1 10 . 1 1 39 39 ALA C C 39 178.813 178.813 178.949 -0.136 26045 2355 1 10 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.932 -0.452 26045 2356 1 10 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.560 0.050 26045 2357 1 10 . 1 1 39 39 ALA H H 39 8.125 8.125 7.820 0.305 26045 2358 1 10 . 1 1 40 40 ARG N N 40 116.657 116.657 117.210 -0.553 26045 2359 1 10 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.291 -0.117 26045 2360 1 10 . 1 1 40 40 ARG C C 40 177.220 177.220 175.821 1.399 26045 2361 1 10 . 1 1 40 40 ARG CA C 40 57.811 57.811 56.004 1.807 26045 2362 1 10 . 1 1 40 40 ARG CB C 40 30.121 30.121 28.966 1.155 26045 2363 1 10 . 1 1 40 40 ARG H H 40 7.738 7.738 7.907 -0.169 26045 2364 1 10 . 1 1 41 41 ASN N N 41 116.193 116.193 113.090 3.103 26045 2365 1 10 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.803 -0.069 26045 2366 1 10 . 1 1 41 41 ASN C C 41 175.369 175.369 175.310 0.059 26045 2367 1 10 . 1 1 41 41 ASN CA C 41 53.837 53.837 52.852 0.985 26045 2368 1 10 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.994 0.142 26045 2369 1 10 . 1 1 41 41 ASN H H 41 7.896 7.896 7.861 0.035 26045 2370 1 10 . 1 1 42 42 CYS N N 42 118.352 118.352 121.286 -2.934 26045 2371 1 10 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.359 0.204 26045 2372 1 10 . 1 1 42 42 CYS C C 42 174.213 174.213 176.187 -1.974 26045 2373 1 10 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.322 -4.277 26045 2374 1 10 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.746 13.973 26045 2375 1 10 . 1 1 42 42 CYS H H 42 7.997 7.997 7.893 0.104 26045 2376 1 10 . 1 1 43 43 GLU N N 43 122.347 122.347 119.178 3.169 26045 2377 1 10 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.377 0.020 26045 2378 1 10 . 1 1 43 43 GLU C C 43 175.369 175.369 177.183 -1.814 26045 2379 1 10 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.881 -0.173 26045 2380 1 10 . 1 1 43 43 GLU H H 43 8.307 8.307 7.878 0.429 26045 2381 1 11 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.435 0.066 26045 2382 1 11 . 1 1 2 2 PRO C C 2 178.016 178.016 176.493 1.523 26045 2383 1 11 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.556 1.254 26045 2384 1 11 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.395 -0.135 26045 2385 1 11 . 1 1 3 3 CYS N N 3 117.098 117.098 114.974 2.124 26045 2386 1 11 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.773 -0.263 26045 2387 1 11 . 1 1 3 3 CYS C C 3 176.295 176.295 175.149 1.146 26045 2388 1 11 . 1 1 3 3 CYS CA C 3 57.465 57.465 58.279 -0.814 26045 2389 1 11 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.264 12.707 26045 2390 1 11 . 1 1 3 3 CYS H H 3 9.130 9.130 8.039 1.091 26045 2391 1 11 . 1 1 4 4 GLU N N 4 121.091 121.091 121.307 -0.216 26045 2392 1 11 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.974 0.101 26045 2393 1 11 . 1 1 4 4 GLU C C 4 178.196 178.196 177.095 1.101 26045 2394 1 11 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.236 0.306 26045 2395 1 11 . 1 1 4 4 GLU H H 4 8.177 8.177 8.848 -0.671 26045 2396 1 11 . 1 1 5 5 ASP N N 5 119.768 119.768 120.585 -0.817 26045 2397 1 11 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.383 0.078 26045 2398 1 11 . 1 1 5 5 ASP C C 5 178.273 178.273 178.482 -0.209 26045 2399 1 11 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.322 -0.897 26045 2400 1 11 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.048 0.124 26045 2401 1 11 . 1 1 5 5 ASP H H 5 8.064 8.064 8.586 -0.522 26045 2402 1 11 . 1 1 6 6 LEU N N 6 121.053 121.053 120.965 0.088 26045 2403 1 11 . 1 1 6 6 LEU HA H 6 4.028 4.028 3.985 0.043 26045 2404 1 11 . 1 1 6 6 LEU C C 6 177.811 177.811 178.073 -0.262 26045 2405 1 11 . 1 1 6 6 LEU CA C 6 57.926 57.926 58.222 -0.296 26045 2406 1 11 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.984 -0.105 26045 2407 1 11 . 1 1 6 6 LEU H H 6 7.785 7.785 7.854 -0.069 26045 2408 1 11 . 1 1 7 7 LYS N N 7 117.877 117.877 119.037 -1.160 26045 2409 1 11 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.846 -0.051 26045 2410 1 11 . 1 1 7 7 LYS C C 7 178.710 178.710 178.729 -0.019 26045 2411 1 11 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.836 0.468 26045 2412 1 11 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.309 -0.025 26045 2413 1 11 . 1 1 7 7 LYS H H 7 7.995 7.995 7.831 0.164 26045 2414 1 11 . 1 1 8 8 GLU N N 8 117.399 117.399 117.027 0.372 26045 2415 1 11 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.138 -0.041 26045 2416 1 11 . 1 1 8 8 GLU C C 8 178.916 178.916 179.551 -0.635 26045 2417 1 11 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.757 -0.068 26045 2418 1 11 . 1 1 8 8 GLU H H 8 7.760 7.760 8.005 -0.245 26045 2419 1 11 . 1 1 9 9 ARG N N 9 120.362 120.362 119.845 0.517 26045 2420 1 11 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.188 -0.130 26045 2421 1 11 . 1 1 9 9 ARG C C 9 178.967 178.967 178.813 0.154 26045 2422 1 11 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.630 0.699 26045 2423 1 11 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.180 0.176 26045 2424 1 11 . 1 1 9 9 ARG H H 9 7.996 7.996 7.536 0.460 26045 2425 1 11 . 1 1 10 10 LEU N N 10 117.258 117.258 119.909 -2.651 26045 2426 1 11 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.025 0.061 26045 2427 1 11 . 1 1 10 10 LEU C C 10 177.566 177.566 178.546 -0.980 26045 2428 1 11 . 1 1 10 10 LEU CA C 10 57.122 57.122 58.001 -0.879 26045 2429 1 11 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.606 -0.220 26045 2430 1 11 . 1 1 10 10 LEU H H 10 8.341 8.341 8.123 0.218 26045 2431 1 11 . 1 1 11 11 LYS N N 11 119.034 119.034 116.068 2.966 26045 2432 1 11 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.049 -0.010 26045 2433 1 11 . 1 1 11 11 LYS C C 11 178.736 178.736 178.561 0.175 26045 2434 1 11 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.927 0.208 26045 2435 1 11 . 1 1 11 11 LYS H H 11 7.707 7.707 7.904 -0.197 26045 2436 1 11 . 1 1 12 12 LYS N N 12 119.013 119.013 119.688 -0.675 26045 2437 1 11 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.120 0.068 26045 2438 1 11 . 1 1 12 12 LYS C C 12 178.960 178.960 178.944 0.016 26045 2439 1 11 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.420 -0.605 26045 2440 1 11 . 1 1 12 12 LYS H H 12 7.709 7.709 7.453 0.256 26045 2441 1 11 . 1 1 13 13 LEU N N 13 119.078 119.078 117.981 1.097 26045 2442 1 11 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.176 0.134 26045 2443 1 11 . 1 1 13 13 LEU C C 13 177.606 177.606 177.254 0.352 26045 2444 1 11 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.468 -0.050 26045 2445 1 11 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.766 0.115 26045 2446 1 11 . 1 1 13 13 LEU H H 13 7.705 7.705 7.950 -0.245 26045 2447 1 11 . 1 1 14 14 GLY N N 14 108.342 108.342 107.586 0.756 26045 2448 1 11 . 1 1 14 14 GLY C C 14 174.367 174.367 174.865 -0.498 26045 2449 1 11 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.514 0.444 26045 2450 1 11 . 1 1 14 14 GLY H H 14 8.107 8.107 7.512 0.595 26045 2451 1 11 . 1 1 15 15 MET N N 15 119.054 119.054 115.624 3.430 26045 2452 1 11 . 1 1 15 15 MET HA H 15 4.512 4.512 4.915 -0.403 26045 2453 1 11 . 1 1 15 15 MET C C 15 175.916 175.916 176.647 -0.731 26045 2454 1 11 . 1 1 15 15 MET CA C 15 55.467 55.467 55.860 -0.393 26045 2455 1 11 . 1 1 15 15 MET CB C 15 34.560 34.560 33.473 1.087 26045 2456 1 11 . 1 1 15 15 MET H H 15 7.686 7.686 7.480 0.206 26045 2457 1 11 . 1 1 16 16 SER N N 16 120.057 120.057 115.468 4.589 26045 2458 1 11 . 1 1 16 16 SER HA H 16 4.400 4.400 4.363 0.037 26045 2459 1 11 . 1 1 16 16 SER C C 16 174.742 174.742 175.456 -0.714 26045 2460 1 11 . 1 1 16 16 SER CA C 16 57.747 57.747 58.055 -0.308 26045 2461 1 11 . 1 1 16 16 SER CB C 16 64.785 64.785 63.543 1.242 26045 2462 1 11 . 1 1 16 16 SER H H 16 8.948 8.948 8.521 0.427 26045 2463 1 11 . 1 1 17 17 GLU N N 17 123.142 123.142 124.829 -1.687 26045 2464 1 11 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.968 0.023 26045 2465 1 11 . 1 1 17 17 GLU C C 17 178.556 178.556 178.833 -0.277 26045 2466 1 11 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.331 0.379 26045 2467 1 11 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.762 -0.535 26045 2468 1 11 . 1 1 17 17 GLU H H 17 9.035 9.035 8.889 0.146 26045 2469 1 11 . 1 1 18 18 GLU N N 18 118.705 118.705 119.229 -0.524 26045 2470 1 11 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.155 -0.126 26045 2471 1 11 . 1 1 18 18 GLU C C 18 179.173 179.173 178.245 0.928 26045 2472 1 11 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.732 1.189 26045 2473 1 11 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.501 -0.521 26045 2474 1 11 . 1 1 18 18 GLU H H 18 8.790 8.790 8.525 0.265 26045 2475 1 11 . 1 1 19 19 CYS N N 19 118.720 118.720 119.056 -0.336 26045 2476 1 11 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.188 0.103 26045 2477 1 11 . 1 1 19 19 CYS C C 19 176.295 176.295 177.141 -0.846 26045 2478 1 11 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.736 -3.451 26045 2479 1 11 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.369 14.006 26045 2480 1 11 . 1 1 19 19 CYS H H 19 7.875 7.875 7.795 0.080 26045 2481 1 11 . 1 1 20 20 ARG N N 20 120.027 120.027 119.216 0.811 26045 2482 1 11 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.034 -0.180 26045 2483 1 11 . 1 1 20 20 ARG C C 20 178.633 178.633 179.306 -0.673 26045 2484 1 11 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.072 1.556 26045 2485 1 11 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.051 0.800 26045 2486 1 11 . 1 1 20 20 ARG H H 20 8.507 8.507 7.731 0.776 26045 2487 1 11 . 1 1 21 21 GLN N N 21 117.558 117.558 119.535 -1.977 26045 2488 1 11 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.027 -0.003 26045 2489 1 11 . 1 1 21 21 GLN C C 21 179.122 179.122 178.860 0.262 26045 2490 1 11 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.862 0.182 26045 2491 1 11 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.401 -0.120 26045 2492 1 11 . 1 1 21 21 GLN H H 21 8.379 8.379 7.765 0.614 26045 2493 1 11 . 1 1 22 22 ARG N N 22 120.355 120.355 120.104 0.251 26045 2494 1 11 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.142 -0.083 26045 2495 1 11 . 1 1 22 22 ARG C C 22 178.967 178.967 178.866 0.101 26045 2496 1 11 . 1 1 22 22 ARG CA C 22 59.416 59.416 58.509 0.907 26045 2497 1 11 . 1 1 22 22 ARG H H 22 7.859 7.859 7.729 0.130 26045 2498 1 11 . 1 1 23 23 LEU N N 23 120.539 120.539 120.459 0.080 26045 2499 1 11 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.073 -0.025 26045 2500 1 11 . 1 1 23 23 LEU C C 23 178.890 178.890 179.044 -0.154 26045 2501 1 11 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.652 0.366 26045 2502 1 11 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.684 -0.256 26045 2503 1 11 . 1 1 23 23 LEU H H 23 8.332 8.332 8.261 0.071 26045 2504 1 11 . 1 1 24 24 GLU N N 24 119.377 119.377 118.737 0.640 26045 2505 1 11 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.963 -0.105 26045 2506 1 11 . 1 1 24 24 GLU C C 24 178.762 178.762 179.046 -0.284 26045 2507 1 11 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.355 0.607 26045 2508 1 11 . 1 1 24 24 GLU H H 24 8.296 8.296 8.318 -0.022 26045 2509 1 11 . 1 1 25 25 LYS N N 25 118.971 118.971 120.179 -1.208 26045 2510 1 11 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.067 -0.013 26045 2511 1 11 . 1 1 25 25 LYS C C 25 178.402 178.402 178.987 -0.585 26045 2512 1 11 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.320 0.050 26045 2513 1 11 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.394 0.201 26045 2514 1 11 . 1 1 25 25 LYS H H 25 7.637 7.637 7.481 0.156 26045 2515 1 11 . 1 1 26 26 MET N N 26 117.688 117.688 118.190 -0.502 26045 2516 1 11 . 1 1 26 26 MET HA H 26 4.199 4.199 4.152 0.047 26045 2517 1 11 . 1 1 26 26 MET C C 26 178.222 178.222 178.963 -0.741 26045 2518 1 11 . 1 1 26 26 MET CA C 26 58.414 58.414 59.051 -0.637 26045 2519 1 11 . 1 1 26 26 MET CB C 26 33.182 33.182 32.522 0.660 26045 2520 1 11 . 1 1 26 26 MET H H 26 7.953 7.953 7.994 -0.041 26045 2521 1 11 . 1 1 27 27 CYS N N 27 117.669 117.669 119.828 -2.159 26045 2522 1 11 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.305 -0.013 26045 2523 1 11 . 1 1 27 27 CYS C C 27 176.218 176.218 176.657 -0.439 26045 2524 1 11 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.026 -1.749 26045 2525 1 11 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.489 13.813 26045 2526 1 11 . 1 1 27 27 CYS H H 27 8.264 8.264 8.104 0.160 26045 2527 1 11 . 1 1 28 28 LYS N N 28 120.893 120.893 118.810 2.083 26045 2528 1 11 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.144 0.040 26045 2529 1 11 . 1 1 28 28 LYS C C 28 177.862 177.862 178.608 -0.746 26045 2530 1 11 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.417 -0.002 26045 2531 1 11 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.453 0.643 26045 2532 1 11 . 1 1 28 28 LYS H H 28 7.983 7.983 7.847 0.136 26045 2533 1 11 . 1 1 29 29 GLU N N 29 117.203 117.203 118.188 -0.985 26045 2534 1 11 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.256 0.108 26045 2535 1 11 . 1 1 29 29 GLU C C 29 176.937 176.937 178.012 -1.075 26045 2536 1 11 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.748 -0.965 26045 2537 1 11 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.122 0.218 26045 2538 1 11 . 1 1 29 29 GLU H H 29 8.110 8.110 8.105 0.005 26045 2539 1 11 . 1 1 30 30 GLY N N 30 109.260 109.260 108.278 0.982 26045 2540 1 11 . 1 1 30 30 GLY C C 30 174.162 174.162 174.037 0.125 26045 2541 1 11 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.941 0.555 26045 2542 1 11 . 1 1 30 30 GLY H H 30 7.990 7.990 7.891 0.099 26045 2543 1 11 . 1 1 31 31 THR N N 31 113.648 113.648 111.585 2.063 26045 2544 1 11 . 1 1 31 31 THR HA H 31 4.594 4.594 4.633 -0.039 26045 2545 1 11 . 1 1 31 31 THR C C 31 175.035 175.035 175.010 0.025 26045 2546 1 11 . 1 1 31 31 THR CA C 31 60.974 60.974 59.931 1.043 26045 2547 1 11 . 1 1 31 31 THR CB C 31 70.524 70.524 71.717 -1.193 26045 2548 1 11 . 1 1 31 31 THR H H 31 8.257 8.257 7.688 0.569 26045 2549 1 11 . 1 1 32 32 SER N N 32 118.066 118.066 117.418 0.648 26045 2550 1 11 . 1 1 32 32 SER HA H 32 4.360 4.360 4.091 0.269 26045 2551 1 11 . 1 1 32 32 SER C C 32 175.472 175.472 175.992 -0.520 26045 2552 1 11 . 1 1 32 32 SER CA C 32 59.857 59.857 61.623 -1.766 26045 2553 1 11 . 1 1 32 32 SER CB C 32 63.485 63.485 63.107 0.378 26045 2554 1 11 . 1 1 32 32 SER H H 32 8.633 8.633 8.835 -0.202 26045 2555 1 11 . 1 1 33 33 GLU N N 33 122.577 122.577 120.842 1.735 26045 2556 1 11 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.207 0.002 26045 2557 1 11 . 1 1 33 33 GLU C C 33 177.528 177.528 178.492 -0.964 26045 2558 1 11 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.756 -1.350 26045 2559 1 11 . 1 1 33 33 GLU CB C 33 29.788 29.788 28.991 0.798 26045 2560 1 11 . 1 1 33 33 GLU H H 33 8.532 8.532 8.464 0.068 26045 2561 1 11 . 1 1 34 34 ASP N N 34 120.121 120.121 119.774 0.347 26045 2562 1 11 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.415 0.072 26045 2563 1 11 . 1 1 34 34 ASP C C 34 177.605 177.605 177.903 -0.298 26045 2564 1 11 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.961 -1.135 26045 2565 1 11 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.764 0.215 26045 2566 1 11 . 1 1 34 34 ASP H H 34 8.122 8.122 7.651 0.471 26045 2567 1 11 . 1 1 35 35 ALA N N 35 123.997 123.997 122.006 1.991 26045 2568 1 11 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.101 -0.092 26045 2569 1 11 . 1 1 35 35 ALA C C 35 178.890 178.890 179.300 -0.410 26045 2570 1 11 . 1 1 35 35 ALA CA C 35 55.190 55.190 54.760 0.430 26045 2571 1 11 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.896 -0.077 26045 2572 1 11 . 1 1 35 35 ALA H H 35 8.107 8.107 7.411 0.696 26045 2573 1 11 . 1 1 36 36 GLU N N 36 117.393 117.393 117.856 -0.463 26045 2574 1 11 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.907 0.010 26045 2575 1 11 . 1 1 36 36 GLU C C 36 178.505 178.505 178.451 0.054 26045 2576 1 11 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.724 0.632 26045 2577 1 11 . 1 1 36 36 GLU H H 36 8.353 8.353 8.385 -0.032 26045 2578 1 11 . 1 1 37 37 ARG N N 37 118.853 118.853 120.831 -1.978 26045 2579 1 11 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.079 -0.049 26045 2580 1 11 . 1 1 37 37 ARG C C 37 178.556 178.556 178.538 0.018 26045 2581 1 11 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.047 -0.342 26045 2582 1 11 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.145 0.080 26045 2583 1 11 . 1 1 37 37 ARG H H 37 7.779 7.779 7.615 0.164 26045 2584 1 11 . 1 1 38 38 MET N N 38 118.299 118.299 115.673 2.626 26045 2585 1 11 . 1 1 38 38 MET HA H 38 4.231 4.231 4.378 -0.147 26045 2586 1 11 . 1 1 38 38 MET C C 38 177.811 177.811 178.505 -0.694 26045 2587 1 11 . 1 1 38 38 MET CA C 38 57.445 57.445 56.591 0.854 26045 2588 1 11 . 1 1 38 38 MET CB C 38 32.313 32.313 31.793 0.520 26045 2589 1 11 . 1 1 38 38 MET H H 38 7.960 7.960 7.587 0.373 26045 2590 1 11 . 1 1 39 39 ALA N N 39 121.698 121.698 122.951 -1.253 26045 2591 1 11 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.156 -0.093 26045 2592 1 11 . 1 1 39 39 ALA C C 39 178.813 178.813 179.484 -0.671 26045 2593 1 11 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.628 -0.148 26045 2594 1 11 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.665 -0.055 26045 2595 1 11 . 1 1 39 39 ALA H H 39 8.125 8.125 7.822 0.303 26045 2596 1 11 . 1 1 40 40 ARG N N 40 116.657 116.657 118.389 -1.732 26045 2597 1 11 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.259 -0.085 26045 2598 1 11 . 1 1 40 40 ARG C C 40 177.220 177.220 175.866 1.354 26045 2599 1 11 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.060 0.751 26045 2600 1 11 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.439 0.681 26045 2601 1 11 . 1 1 40 40 ARG H H 40 7.738 7.738 7.977 -0.239 26045 2602 1 11 . 1 1 41 41 ASN N N 41 116.193 116.193 114.344 1.849 26045 2603 1 11 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.764 -0.030 26045 2604 1 11 . 1 1 41 41 ASN C C 41 175.369 175.369 175.349 0.020 26045 2605 1 11 . 1 1 41 41 ASN CA C 41 53.837 53.837 52.934 0.903 26045 2606 1 11 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.771 0.365 26045 2607 1 11 . 1 1 41 41 ASN H H 41 7.896 7.896 7.655 0.241 26045 2608 1 11 . 1 1 42 42 CYS N N 42 118.352 118.352 119.085 -0.733 26045 2609 1 11 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.343 0.220 26045 2610 1 11 . 1 1 42 42 CYS C C 42 174.213 174.213 175.124 -0.911 26045 2611 1 11 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.934 -3.889 26045 2612 1 11 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.045 14.674 26045 2613 1 11 . 1 1 42 42 CYS H H 42 7.997 7.997 8.236 -0.239 26045 2614 1 11 . 1 1 43 43 GLU N N 43 122.347 122.347 117.089 5.258 26045 2615 1 11 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.265 0.132 26045 2616 1 11 . 1 1 43 43 GLU C C 43 175.369 175.369 175.887 -0.518 26045 2617 1 11 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.194 0.514 26045 2618 1 11 . 1 1 43 43 GLU H H 43 8.307 8.307 8.408 -0.101 26045 2619 1 12 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.494 0.007 26045 2620 1 12 . 1 1 2 2 PRO C C 2 178.016 178.016 176.068 1.948 26045 2621 1 12 . 1 1 2 2 PRO CA C 2 64.811 64.811 62.973 1.838 26045 2622 1 12 . 1 1 2 2 PRO CB C 2 32.260 32.260 29.718 2.542 26045 2623 1 12 . 1 1 3 3 CYS N N 3 117.098 117.098 119.790 -2.692 26045 2624 1 12 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.044 0.466 26045 2625 1 12 . 1 1 3 3 CYS C C 3 176.295 176.295 176.115 0.180 26045 2626 1 12 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.615 -2.150 26045 2627 1 12 . 1 1 3 3 CYS CB C 3 39.971 39.971 26.642 13.329 26045 2628 1 12 . 1 1 3 3 CYS H H 3 9.130 9.130 8.551 0.579 26045 2629 1 12 . 1 1 4 4 GLU N N 4 121.091 121.091 120.025 1.066 26045 2630 1 12 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.008 0.066 26045 2631 1 12 . 1 1 4 4 GLU C C 4 178.196 178.196 178.333 -0.137 26045 2632 1 12 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.789 -0.247 26045 2633 1 12 . 1 1 4 4 GLU H H 4 8.177 8.177 8.560 -0.383 26045 2634 1 12 . 1 1 5 5 ASP N N 5 119.768 119.768 117.762 2.006 26045 2635 1 12 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.596 -0.135 26045 2636 1 12 . 1 1 5 5 ASP C C 5 178.273 178.273 178.249 0.024 26045 2637 1 12 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.199 -0.774 26045 2638 1 12 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.669 -0.497 26045 2639 1 12 . 1 1 5 5 ASP H H 5 8.064 8.064 8.728 -0.664 26045 2640 1 12 . 1 1 6 6 LEU N N 6 121.053 121.053 119.246 1.807 26045 2641 1 12 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.077 -0.049 26045 2642 1 12 . 1 1 6 6 LEU C C 6 177.811 177.811 178.217 -0.406 26045 2643 1 12 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.202 0.724 26045 2644 1 12 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.037 -0.158 26045 2645 1 12 . 1 1 6 6 LEU H H 6 7.785 7.785 7.823 -0.038 26045 2646 1 12 . 1 1 7 7 LYS N N 7 117.877 117.877 119.223 -1.346 26045 2647 1 12 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.941 -0.146 26045 2648 1 12 . 1 1 7 7 LYS C C 7 178.710 178.710 178.647 0.063 26045 2649 1 12 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.361 0.944 26045 2650 1 12 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.545 -0.261 26045 2651 1 12 . 1 1 7 7 LYS H H 7 7.995 7.995 8.228 -0.233 26045 2652 1 12 . 1 1 8 8 GLU N N 8 117.399 117.399 117.879 -0.480 26045 2653 1 12 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.104 -0.007 26045 2654 1 12 . 1 1 8 8 GLU C C 8 178.916 178.916 178.832 0.084 26045 2655 1 12 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.022 -0.333 26045 2656 1 12 . 1 1 8 8 GLU H H 8 7.760 7.760 8.284 -0.524 26045 2657 1 12 . 1 1 9 9 ARG N N 9 120.362 120.362 119.852 0.510 26045 2658 1 12 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.080 -0.022 26045 2659 1 12 . 1 1 9 9 ARG C C 9 178.967 178.967 179.034 -0.067 26045 2660 1 12 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.930 0.399 26045 2661 1 12 . 1 1 9 9 ARG CB C 9 30.356 30.356 29.923 0.433 26045 2662 1 12 . 1 1 9 9 ARG H H 9 7.996 7.996 7.466 0.530 26045 2663 1 12 . 1 1 10 10 LEU N N 10 117.258 117.258 118.856 -1.598 26045 2664 1 12 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.037 0.049 26045 2665 1 12 . 1 1 10 10 LEU C C 10 177.566 177.566 178.598 -1.032 26045 2666 1 12 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.811 -0.689 26045 2667 1 12 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.650 -0.264 26045 2668 1 12 . 1 1 10 10 LEU H H 10 8.341 8.341 7.605 0.736 26045 2669 1 12 . 1 1 11 11 LYS N N 11 119.034 119.034 115.348 3.686 26045 2670 1 12 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.114 -0.075 26045 2671 1 12 . 1 1 11 11 LYS C C 11 178.736 178.736 178.037 0.699 26045 2672 1 12 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.499 0.636 26045 2673 1 12 . 1 1 11 11 LYS H H 11 7.707 7.707 7.458 0.249 26045 2674 1 12 . 1 1 12 12 LYS N N 12 119.013 119.013 118.917 0.096 26045 2675 1 12 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.136 0.052 26045 2676 1 12 . 1 1 12 12 LYS C C 12 178.960 178.960 178.222 0.738 26045 2677 1 12 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.390 -0.575 26045 2678 1 12 . 1 1 12 12 LYS H H 12 7.709 7.709 7.737 -0.028 26045 2679 1 12 . 1 1 13 13 LEU N N 13 119.078 119.078 118.435 0.643 26045 2680 1 12 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.275 0.035 26045 2681 1 12 . 1 1 13 13 LEU C C 13 177.606 177.606 177.123 0.483 26045 2682 1 12 . 1 1 13 13 LEU CA C 13 55.418 55.418 54.840 0.578 26045 2683 1 12 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.979 -0.098 26045 2684 1 12 . 1 1 13 13 LEU H H 13 7.705 7.705 7.766 -0.061 26045 2685 1 12 . 1 1 14 14 GLY N N 14 108.342 108.342 108.360 -0.018 26045 2686 1 12 . 1 1 14 14 GLY C C 14 174.367 174.367 174.901 -0.534 26045 2687 1 12 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.583 0.375 26045 2688 1 12 . 1 1 14 14 GLY H H 14 8.107 8.107 7.524 0.583 26045 2689 1 12 . 1 1 15 15 MET N N 15 119.054 119.054 116.819 2.235 26045 2690 1 12 . 1 1 15 15 MET HA H 15 4.512 4.512 4.615 -0.103 26045 2691 1 12 . 1 1 15 15 MET C C 15 175.916 175.916 176.027 -0.111 26045 2692 1 12 . 1 1 15 15 MET CA C 15 55.467 55.467 55.539 -0.072 26045 2693 1 12 . 1 1 15 15 MET CB C 15 34.560 34.560 33.664 0.896 26045 2694 1 12 . 1 1 15 15 MET H H 15 7.686 7.686 7.482 0.204 26045 2695 1 12 . 1 1 16 16 SER N N 16 120.057 120.057 116.025 4.032 26045 2696 1 12 . 1 1 16 16 SER HA H 16 4.400 4.400 4.540 -0.140 26045 2697 1 12 . 1 1 16 16 SER C C 16 174.742 174.742 176.046 -1.304 26045 2698 1 12 . 1 1 16 16 SER CA C 16 57.747 57.747 58.772 -1.025 26045 2699 1 12 . 1 1 16 16 SER CB C 16 64.785 64.785 64.291 0.494 26045 2700 1 12 . 1 1 16 16 SER H H 16 8.948 8.948 8.609 0.339 26045 2701 1 12 . 1 1 17 17 GLU N N 17 123.142 123.142 124.941 -1.799 26045 2702 1 12 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.947 0.044 26045 2703 1 12 . 1 1 17 17 GLU C C 17 178.556 178.556 178.736 -0.180 26045 2704 1 12 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.147 -0.437 26045 2705 1 12 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.470 -0.244 26045 2706 1 12 . 1 1 17 17 GLU H H 17 9.035 9.035 9.047 -0.012 26045 2707 1 12 . 1 1 18 18 GLU N N 18 118.705 118.705 120.429 -1.724 26045 2708 1 12 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.106 -0.077 26045 2709 1 12 . 1 1 18 18 GLU C C 18 179.173 179.173 178.855 0.318 26045 2710 1 12 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.210 0.711 26045 2711 1 12 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.537 -0.557 26045 2712 1 12 . 1 1 18 18 GLU H H 18 8.790 8.790 8.636 0.154 26045 2713 1 12 . 1 1 19 19 CYS N N 19 118.720 118.720 118.570 0.150 26045 2714 1 12 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.204 0.087 26045 2715 1 12 . 1 1 19 19 CYS C C 19 176.295 176.295 177.354 -1.059 26045 2716 1 12 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.216 -1.931 26045 2717 1 12 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.347 14.028 26045 2718 1 12 . 1 1 19 19 CYS H H 19 7.875 7.875 8.228 -0.353 26045 2719 1 12 . 1 1 20 20 ARG N N 20 120.027 120.027 120.065 -0.038 26045 2720 1 12 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.895 -0.041 26045 2721 1 12 . 1 1 20 20 ARG C C 20 178.633 178.633 179.220 -0.587 26045 2722 1 12 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.961 0.667 26045 2723 1 12 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.842 0.009 26045 2724 1 12 . 1 1 20 20 ARG H H 20 8.507 8.507 7.877 0.630 26045 2725 1 12 . 1 1 21 21 GLN N N 21 117.558 117.558 116.998 0.560 26045 2726 1 12 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.170 -0.146 26045 2727 1 12 . 1 1 21 21 GLN C C 21 179.122 179.122 179.101 0.021 26045 2728 1 12 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.642 0.402 26045 2729 1 12 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.433 -0.152 26045 2730 1 12 . 1 1 21 21 GLN H H 21 8.379 8.379 8.078 0.301 26045 2731 1 12 . 1 1 22 22 ARG N N 22 120.355 120.355 120.118 0.237 26045 2732 1 12 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.101 -0.042 26045 2733 1 12 . 1 1 22 22 ARG C C 22 178.967 178.967 178.703 0.264 26045 2734 1 12 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.410 0.006 26045 2735 1 12 . 1 1 22 22 ARG H H 22 7.859 7.859 7.720 0.139 26045 2736 1 12 . 1 1 23 23 LEU N N 23 120.539 120.539 120.448 0.091 26045 2737 1 12 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.021 0.027 26045 2738 1 12 . 1 1 23 23 LEU C C 23 178.890 178.890 179.009 -0.119 26045 2739 1 12 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.749 0.269 26045 2740 1 12 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.631 -0.203 26045 2741 1 12 . 1 1 23 23 LEU H H 23 8.332 8.332 7.900 0.432 26045 2742 1 12 . 1 1 24 24 GLU N N 24 119.377 119.377 118.703 0.674 26045 2743 1 12 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.920 -0.062 26045 2744 1 12 . 1 1 24 24 GLU C C 24 178.762 178.762 178.947 -0.185 26045 2745 1 12 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.534 0.428 26045 2746 1 12 . 1 1 24 24 GLU H H 24 8.296 8.296 8.691 -0.395 26045 2747 1 12 . 1 1 25 25 LYS N N 25 118.971 118.971 119.365 -0.394 26045 2748 1 12 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.088 -0.034 26045 2749 1 12 . 1 1 25 25 LYS C C 25 178.402 178.402 178.919 -0.517 26045 2750 1 12 . 1 1 25 25 LYS CA C 25 59.370 59.370 58.733 0.637 26045 2751 1 12 . 1 1 25 25 LYS CB C 25 32.595 32.595 31.985 0.610 26045 2752 1 12 . 1 1 25 25 LYS H H 25 7.637 7.637 7.414 0.223 26045 2753 1 12 . 1 1 26 26 MET N N 26 117.688 117.688 118.647 -0.959 26045 2754 1 12 . 1 1 26 26 MET HA H 26 4.199 4.199 4.184 0.015 26045 2755 1 12 . 1 1 26 26 MET C C 26 178.222 178.222 178.717 -0.495 26045 2756 1 12 . 1 1 26 26 MET CA C 26 58.414 58.414 58.363 0.051 26045 2757 1 12 . 1 1 26 26 MET CB C 26 33.182 33.182 31.706 1.476 26045 2758 1 12 . 1 1 26 26 MET H H 26 7.953 7.953 8.043 -0.090 26045 2759 1 12 . 1 1 27 27 CYS N N 27 117.669 117.669 119.340 -1.671 26045 2760 1 12 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.372 -0.080 26045 2761 1 12 . 1 1 27 27 CYS C C 27 176.218 176.218 177.062 -0.844 26045 2762 1 12 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.177 -1.900 26045 2763 1 12 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.189 14.113 26045 2764 1 12 . 1 1 27 27 CYS H H 27 8.264 8.264 8.151 0.113 26045 2765 1 12 . 1 1 28 28 LYS N N 28 120.893 120.893 119.035 1.858 26045 2766 1 12 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.099 0.085 26045 2767 1 12 . 1 1 28 28 LYS C C 28 177.862 177.862 178.642 -0.780 26045 2768 1 12 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.670 -0.255 26045 2769 1 12 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.304 0.792 26045 2770 1 12 . 1 1 28 28 LYS H H 28 7.983 7.983 7.718 0.265 26045 2771 1 12 . 1 1 29 29 GLU N N 29 117.203 117.203 118.311 -1.108 26045 2772 1 12 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.234 0.130 26045 2773 1 12 . 1 1 29 29 GLU C C 29 176.937 176.937 178.291 -1.354 26045 2774 1 12 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.934 -1.151 26045 2775 1 12 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.786 0.554 26045 2776 1 12 . 1 1 29 29 GLU H H 29 8.110 8.110 8.142 -0.032 26045 2777 1 12 . 1 1 30 30 GLY N N 30 109.260 109.260 107.139 2.121 26045 2778 1 12 . 1 1 30 30 GLY C C 30 174.162 174.162 174.089 0.073 26045 2779 1 12 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.145 0.351 26045 2780 1 12 . 1 1 30 30 GLY H H 30 7.990 7.990 8.144 -0.154 26045 2781 1 12 . 1 1 31 31 THR N N 31 113.648 113.648 112.007 1.641 26045 2782 1 12 . 1 1 31 31 THR HA H 31 4.594 4.594 4.710 -0.116 26045 2783 1 12 . 1 1 31 31 THR C C 31 175.035 175.035 176.206 -1.171 26045 2784 1 12 . 1 1 31 31 THR CA C 31 60.974 60.974 60.137 0.837 26045 2785 1 12 . 1 1 31 31 THR CB C 31 70.524 70.524 71.853 -1.329 26045 2786 1 12 . 1 1 31 31 THR H H 31 8.257 8.257 8.406 -0.149 26045 2787 1 12 . 1 1 32 32 SER N N 32 118.066 118.066 116.825 1.241 26045 2788 1 12 . 1 1 32 32 SER HA H 32 4.360 4.360 4.170 0.190 26045 2789 1 12 . 1 1 32 32 SER C C 32 175.472 175.472 176.217 -0.745 26045 2790 1 12 . 1 1 32 32 SER CA C 32 59.857 59.857 61.988 -2.131 26045 2791 1 12 . 1 1 32 32 SER CB C 32 63.485 63.485 62.802 0.683 26045 2792 1 12 . 1 1 32 32 SER H H 32 8.633 8.633 8.763 -0.130 26045 2793 1 12 . 1 1 33 33 GLU N N 33 122.577 122.577 120.959 1.618 26045 2794 1 12 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.286 -0.077 26045 2795 1 12 . 1 1 33 33 GLU C C 33 177.528 177.528 178.607 -1.079 26045 2796 1 12 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.059 -0.653 26045 2797 1 12 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.433 0.355 26045 2798 1 12 . 1 1 33 33 GLU H H 33 8.532 8.532 7.859 0.673 26045 2799 1 12 . 1 1 34 34 ASP N N 34 120.121 120.121 119.836 0.285 26045 2800 1 12 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.423 0.064 26045 2801 1 12 . 1 1 34 34 ASP C C 34 177.605 177.605 178.167 -0.562 26045 2802 1 12 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.117 -1.291 26045 2803 1 12 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.635 0.344 26045 2804 1 12 . 1 1 34 34 ASP H H 34 8.122 8.122 7.734 0.388 26045 2805 1 12 . 1 1 35 35 ALA N N 35 123.997 123.997 121.480 2.517 26045 2806 1 12 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.196 -0.187 26045 2807 1 12 . 1 1 35 35 ALA C C 35 178.890 178.890 179.486 -0.596 26045 2808 1 12 . 1 1 35 35 ALA CA C 35 55.190 55.190 54.683 0.507 26045 2809 1 12 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.709 0.110 26045 2810 1 12 . 1 1 35 35 ALA H H 35 8.107 8.107 7.588 0.519 26045 2811 1 12 . 1 1 36 36 GLU N N 36 117.393 117.393 118.264 -0.871 26045 2812 1 12 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.863 0.054 26045 2813 1 12 . 1 1 36 36 GLU C C 36 178.505 178.505 178.315 0.190 26045 2814 1 12 . 1 1 36 36 GLU CA C 36 59.356 59.356 59.104 0.252 26045 2815 1 12 . 1 1 36 36 GLU H H 36 8.353 8.353 8.552 -0.199 26045 2816 1 12 . 1 1 37 37 ARG N N 37 118.853 118.853 120.277 -1.424 26045 2817 1 12 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.103 -0.073 26045 2818 1 12 . 1 1 37 37 ARG C C 37 178.556 178.556 178.583 -0.027 26045 2819 1 12 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.034 -0.329 26045 2820 1 12 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.049 0.176 26045 2821 1 12 . 1 1 37 37 ARG H H 37 7.779 7.779 7.545 0.234 26045 2822 1 12 . 1 1 38 38 MET N N 38 118.299 118.299 116.536 1.763 26045 2823 1 12 . 1 1 38 38 MET HA H 38 4.231 4.231 4.311 -0.080 26045 2824 1 12 . 1 1 38 38 MET C C 38 177.811 177.811 178.523 -0.712 26045 2825 1 12 . 1 1 38 38 MET CA C 38 57.445 57.445 56.333 1.112 26045 2826 1 12 . 1 1 38 38 MET CB C 38 32.313 32.313 31.252 1.061 26045 2827 1 12 . 1 1 38 38 MET H H 38 7.960 7.960 7.541 0.419 26045 2828 1 12 . 1 1 39 39 ALA N N 39 121.698 121.698 122.843 -1.145 26045 2829 1 12 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.146 -0.083 26045 2830 1 12 . 1 1 39 39 ALA C C 39 178.813 178.813 179.437 -0.624 26045 2831 1 12 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.745 -0.265 26045 2832 1 12 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.498 0.112 26045 2833 1 12 . 1 1 39 39 ALA H H 39 8.125 8.125 8.095 0.030 26045 2834 1 12 . 1 1 40 40 ARG N N 40 116.657 116.657 117.346 -0.689 26045 2835 1 12 . 1 1 40 40 ARG HA H 40 4.174 4.174 3.945 0.229 26045 2836 1 12 . 1 1 40 40 ARG C C 40 177.220 177.220 178.694 -1.474 26045 2837 1 12 . 1 1 40 40 ARG CA C 40 57.811 57.811 59.031 -1.220 26045 2838 1 12 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.191 -0.070 26045 2839 1 12 . 1 1 40 40 ARG H H 40 7.738 7.738 7.902 -0.164 26045 2840 1 12 . 1 1 41 41 ASN N N 41 116.193 116.193 116.872 -0.679 26045 2841 1 12 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.616 0.118 26045 2842 1 12 . 1 1 41 41 ASN C C 41 175.369 175.369 176.296 -0.927 26045 2843 1 12 . 1 1 41 41 ASN CA C 41 53.837 53.837 55.180 -1.343 26045 2844 1 12 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.911 0.225 26045 2845 1 12 . 1 1 41 41 ASN H H 41 7.896 7.896 7.928 -0.032 26045 2846 1 12 . 1 1 42 42 CYS N N 42 118.352 118.352 118.684 -0.332 26045 2847 1 12 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.294 0.269 26045 2848 1 12 . 1 1 42 42 CYS C C 42 174.213 174.213 175.471 -1.258 26045 2849 1 12 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.173 -4.128 26045 2850 1 12 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.186 14.534 26045 2851 1 12 . 1 1 42 42 CYS H H 42 7.997 7.997 8.056 -0.059 26045 2852 1 12 . 1 1 43 43 GLU N N 43 122.347 122.347 116.609 5.738 26045 2853 1 12 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.507 -0.110 26045 2854 1 12 . 1 1 43 43 GLU C C 43 175.369 175.369 176.031 -0.662 26045 2855 1 12 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.380 0.328 26045 2856 1 12 . 1 1 43 43 GLU H H 43 8.307 8.307 8.100 0.207 26045 2857 1 13 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.517 -0.016 26045 2858 1 13 . 1 1 2 2 PRO C C 2 178.016 178.016 177.120 0.896 26045 2859 1 13 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.803 1.008 26045 2860 1 13 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.320 -0.060 26045 2861 1 13 . 1 1 3 3 CYS N N 3 117.098 117.098 115.866 1.232 26045 2862 1 13 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.722 -0.212 26045 2863 1 13 . 1 1 3 3 CYS C C 3 176.295 176.295 176.304 -0.009 26045 2864 1 13 . 1 1 3 3 CYS CA C 3 57.465 57.465 58.400 -0.935 26045 2865 1 13 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.170 12.801 26045 2866 1 13 . 1 1 3 3 CYS H H 3 9.130 9.130 8.246 0.884 26045 2867 1 13 . 1 1 4 4 GLU N N 4 121.091 121.091 122.704 -1.613 26045 2868 1 13 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.890 0.184 26045 2869 1 13 . 1 1 4 4 GLU C C 4 178.196 178.196 177.834 0.362 26045 2870 1 13 . 1 1 4 4 GLU CA C 4 59.542 59.542 60.543 -1.001 26045 2871 1 13 . 1 1 4 4 GLU H H 4 8.177 8.177 8.569 -0.392 26045 2872 1 13 . 1 1 5 5 ASP N N 5 119.768 119.768 119.146 0.622 26045 2873 1 13 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.392 0.069 26045 2874 1 13 . 1 1 5 5 ASP C C 5 178.273 178.273 178.333 -0.060 26045 2875 1 13 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.247 -0.822 26045 2876 1 13 . 1 1 5 5 ASP CB C 5 40.172 40.172 39.714 0.458 26045 2877 1 13 . 1 1 5 5 ASP H H 5 8.064 8.064 8.535 -0.471 26045 2878 1 13 . 1 1 6 6 LEU N N 6 121.053 121.053 121.096 -0.043 26045 2879 1 13 . 1 1 6 6 LEU HA H 6 4.028 4.028 3.950 0.078 26045 2880 1 13 . 1 1 6 6 LEU C C 6 177.811 177.811 178.228 -0.417 26045 2881 1 13 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.923 0.003 26045 2882 1 13 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.663 0.216 26045 2883 1 13 . 1 1 6 6 LEU H H 6 7.785 7.785 7.881 -0.096 26045 2884 1 13 . 1 1 7 7 LYS N N 7 117.877 117.877 118.039 -0.162 26045 2885 1 13 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.927 -0.132 26045 2886 1 13 . 1 1 7 7 LYS C C 7 178.710 178.710 179.224 -0.514 26045 2887 1 13 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.980 0.324 26045 2888 1 13 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.349 -0.065 26045 2889 1 13 . 1 1 7 7 LYS H H 7 7.995 7.995 8.297 -0.302 26045 2890 1 13 . 1 1 8 8 GLU N N 8 117.399 117.399 118.719 -1.320 26045 2891 1 13 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.049 0.048 26045 2892 1 13 . 1 1 8 8 GLU C C 8 178.916 178.916 178.890 0.026 26045 2893 1 13 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.159 -0.470 26045 2894 1 13 . 1 1 8 8 GLU H H 8 7.760 7.760 7.754 0.006 26045 2895 1 13 . 1 1 9 9 ARG N N 9 120.362 120.362 120.174 0.188 26045 2896 1 13 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.090 -0.032 26045 2897 1 13 . 1 1 9 9 ARG C C 9 178.967 178.967 178.906 0.061 26045 2898 1 13 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.112 0.217 26045 2899 1 13 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.048 0.308 26045 2900 1 13 . 1 1 9 9 ARG H H 9 7.996 7.996 7.538 0.458 26045 2901 1 13 . 1 1 10 10 LEU N N 10 117.258 117.258 119.194 -1.936 26045 2902 1 13 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.067 0.019 26045 2903 1 13 . 1 1 10 10 LEU C C 10 177.566 177.566 179.103 -1.537 26045 2904 1 13 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.767 -0.645 26045 2905 1 13 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.613 -0.227 26045 2906 1 13 . 1 1 10 10 LEU H H 10 8.341 8.341 7.665 0.676 26045 2907 1 13 . 1 1 11 11 LYS N N 11 119.034 119.034 117.090 1.944 26045 2908 1 13 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.087 -0.048 26045 2909 1 13 . 1 1 11 11 LYS C C 11 178.736 178.736 179.082 -0.346 26045 2910 1 13 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.162 -0.027 26045 2911 1 13 . 1 1 11 11 LYS H H 11 7.707 7.707 7.573 0.134 26045 2912 1 13 . 1 1 12 12 LYS N N 12 119.013 119.013 119.987 -0.974 26045 2913 1 13 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.151 0.037 26045 2914 1 13 . 1 1 12 12 LYS C C 12 178.960 178.960 179.137 -0.177 26045 2915 1 13 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.117 -0.302 26045 2916 1 13 . 1 1 12 12 LYS H H 12 7.709 7.709 7.705 0.004 26045 2917 1 13 . 1 1 13 13 LEU N N 13 119.078 119.078 117.615 1.463 26045 2918 1 13 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.190 0.120 26045 2919 1 13 . 1 1 13 13 LEU C C 13 177.606 177.606 177.623 -0.017 26045 2920 1 13 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.551 -0.133 26045 2921 1 13 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.566 0.314 26045 2922 1 13 . 1 1 13 13 LEU H H 13 7.705 7.705 8.033 -0.328 26045 2923 1 13 . 1 1 14 14 GLY N N 14 108.342 108.342 106.944 1.398 26045 2924 1 13 . 1 1 14 14 GLY C C 14 174.367 174.367 174.913 -0.546 26045 2925 1 13 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.535 0.423 26045 2926 1 13 . 1 1 14 14 GLY H H 14 8.107 8.107 7.644 0.463 26045 2927 1 13 . 1 1 15 15 MET N N 15 119.054 119.054 116.056 2.998 26045 2928 1 13 . 1 1 15 15 MET HA H 15 4.512 4.512 4.641 -0.129 26045 2929 1 13 . 1 1 15 15 MET C C 15 175.916 175.916 176.151 -0.235 26045 2930 1 13 . 1 1 15 15 MET CA C 15 55.467 55.467 55.434 0.032 26045 2931 1 13 . 1 1 15 15 MET CB C 15 34.560 34.560 34.106 0.454 26045 2932 1 13 . 1 1 15 15 MET H H 15 7.686 7.686 7.610 0.076 26045 2933 1 13 . 1 1 16 16 SER N N 16 120.057 120.057 116.737 3.320 26045 2934 1 13 . 1 1 16 16 SER HA H 16 4.400 4.400 4.442 -0.042 26045 2935 1 13 . 1 1 16 16 SER C C 16 174.742 174.742 175.908 -1.166 26045 2936 1 13 . 1 1 16 16 SER CA C 16 57.747 57.747 58.641 -0.894 26045 2937 1 13 . 1 1 16 16 SER CB C 16 64.785 64.785 64.217 0.568 26045 2938 1 13 . 1 1 16 16 SER H H 16 8.948 8.948 8.239 0.709 26045 2939 1 13 . 1 1 17 17 GLU N N 17 123.142 123.142 125.365 -2.223 26045 2940 1 13 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.859 0.132 26045 2941 1 13 . 1 1 17 17 GLU C C 17 178.556 178.556 178.226 0.330 26045 2942 1 13 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.333 -0.623 26045 2943 1 13 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.362 -0.136 26045 2944 1 13 . 1 1 17 17 GLU H H 17 9.035 9.035 8.936 0.099 26045 2945 1 13 . 1 1 18 18 GLU N N 18 118.705 118.705 119.762 -1.057 26045 2946 1 13 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.101 -0.072 26045 2947 1 13 . 1 1 18 18 GLU C C 18 179.173 179.173 178.189 0.984 26045 2948 1 13 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.219 0.702 26045 2949 1 13 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.195 -0.215 26045 2950 1 13 . 1 1 18 18 GLU H H 18 8.790 8.790 8.609 0.181 26045 2951 1 13 . 1 1 19 19 CYS N N 19 118.720 118.720 118.246 0.474 26045 2952 1 13 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.196 0.095 26045 2953 1 13 . 1 1 19 19 CYS C C 19 176.295 176.295 177.559 -1.264 26045 2954 1 13 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.201 -2.916 26045 2955 1 13 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.043 14.332 26045 2956 1 13 . 1 1 19 19 CYS H H 19 7.875 7.875 8.361 -0.486 26045 2957 1 13 . 1 1 20 20 ARG N N 20 120.027 120.027 119.520 0.507 26045 2958 1 13 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.914 -0.060 26045 2959 1 13 . 1 1 20 20 ARG C C 20 178.633 178.633 179.059 -0.426 26045 2960 1 13 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.962 0.666 26045 2961 1 13 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.786 0.065 26045 2962 1 13 . 1 1 20 20 ARG H H 20 8.507 8.507 7.808 0.699 26045 2963 1 13 . 1 1 21 21 GLN N N 21 117.558 117.558 116.320 1.238 26045 2964 1 13 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.055 -0.031 26045 2965 1 13 . 1 1 21 21 GLN C C 21 179.122 179.122 178.586 0.536 26045 2966 1 13 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.617 0.427 26045 2967 1 13 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.383 -0.102 26045 2968 1 13 . 1 1 21 21 GLN H H 21 8.379 8.379 7.946 0.433 26045 2969 1 13 . 1 1 22 22 ARG N N 22 120.355 120.355 119.214 1.141 26045 2970 1 13 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.133 -0.074 26045 2971 1 13 . 1 1 22 22 ARG C C 22 178.967 178.967 178.642 0.325 26045 2972 1 13 . 1 1 22 22 ARG CA C 22 59.416 59.416 58.965 0.451 26045 2973 1 13 . 1 1 22 22 ARG H H 22 7.859 7.859 7.568 0.291 26045 2974 1 13 . 1 1 23 23 LEU N N 23 120.539 120.539 120.580 -0.041 26045 2975 1 13 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.016 0.032 26045 2976 1 13 . 1 1 23 23 LEU C C 23 178.890 178.890 178.883 0.007 26045 2977 1 13 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.972 0.046 26045 2978 1 13 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.777 -0.349 26045 2979 1 13 . 1 1 23 23 LEU H H 23 8.332 8.332 7.945 0.387 26045 2980 1 13 . 1 1 24 24 GLU N N 24 119.377 119.377 118.369 1.008 26045 2981 1 13 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.919 -0.061 26045 2982 1 13 . 1 1 24 24 GLU C C 24 178.762 178.762 178.875 -0.113 26045 2983 1 13 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.788 0.174 26045 2984 1 13 . 1 1 24 24 GLU H H 24 8.296 8.296 8.502 -0.206 26045 2985 1 13 . 1 1 25 25 LYS N N 25 118.971 118.971 119.665 -0.694 26045 2986 1 13 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.091 -0.037 26045 2987 1 13 . 1 1 25 25 LYS C C 25 178.402 178.402 178.640 -0.238 26045 2988 1 13 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.373 -0.003 26045 2989 1 13 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.290 0.305 26045 2990 1 13 . 1 1 25 25 LYS H H 25 7.637 7.637 7.420 0.217 26045 2991 1 13 . 1 1 26 26 MET N N 26 117.688 117.688 118.189 -0.501 26045 2992 1 13 . 1 1 26 26 MET HA H 26 4.199 4.199 4.277 -0.078 26045 2993 1 13 . 1 1 26 26 MET C C 26 178.222 178.222 178.316 -0.094 26045 2994 1 13 . 1 1 26 26 MET CA C 26 58.414 58.414 57.025 1.389 26045 2995 1 13 . 1 1 26 26 MET CB C 26 33.182 33.182 31.363 1.819 26045 2996 1 13 . 1 1 26 26 MET H H 26 7.953 7.953 8.029 -0.076 26045 2997 1 13 . 1 1 27 27 CYS N N 27 117.669 117.669 119.006 -1.337 26045 2998 1 13 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.198 0.094 26045 2999 1 13 . 1 1 27 27 CYS C C 27 176.218 176.218 176.929 -0.711 26045 3000 1 13 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.572 -2.295 26045 3001 1 13 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.466 13.836 26045 3002 1 13 . 1 1 27 27 CYS H H 27 8.264 8.264 8.105 0.159 26045 3003 1 13 . 1 1 28 28 LYS N N 28 120.893 120.893 118.487 2.406 26045 3004 1 13 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.189 -0.005 26045 3005 1 13 . 1 1 28 28 LYS C C 28 177.862 177.862 178.626 -0.764 26045 3006 1 13 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.318 0.097 26045 3007 1 13 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.864 0.232 26045 3008 1 13 . 1 1 28 28 LYS H H 28 7.983 7.983 7.672 0.311 26045 3009 1 13 . 1 1 29 29 GLU N N 29 117.203 117.203 117.222 -0.019 26045 3010 1 13 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.398 -0.034 26045 3011 1 13 . 1 1 29 29 GLU C C 29 176.937 176.937 176.065 0.872 26045 3012 1 13 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.232 0.551 26045 3013 1 13 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.030 0.310 26045 3014 1 13 . 1 1 29 29 GLU H H 29 8.110 8.110 8.143 -0.033 26045 3015 1 13 . 1 1 30 30 GLY N N 30 109.260 109.260 109.126 0.134 26045 3016 1 13 . 1 1 30 30 GLY C C 30 174.162 174.162 173.422 0.740 26045 3017 1 13 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.292 0.204 26045 3018 1 13 . 1 1 30 30 GLY H H 30 7.990 7.990 7.464 0.526 26045 3019 1 13 . 1 1 31 31 THR N N 31 113.648 113.648 115.014 -1.366 26045 3020 1 13 . 1 1 31 31 THR HA H 31 4.594 4.594 4.762 -0.168 26045 3021 1 13 . 1 1 31 31 THR C C 31 175.035 175.035 174.857 0.178 26045 3022 1 13 . 1 1 31 31 THR CA C 31 60.974 60.974 60.901 0.073 26045 3023 1 13 . 1 1 31 31 THR CB C 31 70.524 70.524 71.949 -1.425 26045 3024 1 13 . 1 1 31 31 THR H H 31 8.257 8.257 7.983 0.274 26045 3025 1 13 . 1 1 32 32 SER N N 32 118.066 118.066 119.434 -1.368 26045 3026 1 13 . 1 1 32 32 SER HA H 32 4.360 4.360 4.193 0.167 26045 3027 1 13 . 1 1 32 32 SER C C 32 175.472 175.472 176.042 -0.570 26045 3028 1 13 . 1 1 32 32 SER CA C 32 59.857 59.857 61.992 -2.135 26045 3029 1 13 . 1 1 32 32 SER CB C 32 63.485 63.485 63.614 -0.129 26045 3030 1 13 . 1 1 32 32 SER H H 32 8.633 8.633 8.807 -0.174 26045 3031 1 13 . 1 1 33 33 GLU N N 33 122.577 122.577 122.096 0.481 26045 3032 1 13 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.272 -0.063 26045 3033 1 13 . 1 1 33 33 GLU C C 33 177.528 177.528 177.602 -0.074 26045 3034 1 13 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.643 -1.237 26045 3035 1 13 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.189 0.599 26045 3036 1 13 . 1 1 33 33 GLU H H 33 8.532 8.532 8.560 -0.028 26045 3037 1 13 . 1 1 34 34 ASP N N 34 120.121 120.121 118.939 1.182 26045 3038 1 13 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.530 -0.043 26045 3039 1 13 . 1 1 34 34 ASP C C 34 177.605 177.605 177.736 -0.131 26045 3040 1 13 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.804 -0.978 26045 3041 1 13 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.561 0.418 26045 3042 1 13 . 1 1 34 34 ASP H H 34 8.122 8.122 7.931 0.191 26045 3043 1 13 . 1 1 35 35 ALA N N 35 123.997 123.997 122.724 1.273 26045 3044 1 13 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.100 -0.091 26045 3045 1 13 . 1 1 35 35 ALA C C 35 178.890 178.890 179.369 -0.479 26045 3046 1 13 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.247 -0.057 26045 3047 1 13 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.468 0.351 26045 3048 1 13 . 1 1 35 35 ALA H H 35 8.107 8.107 7.690 0.417 26045 3049 1 13 . 1 1 36 36 GLU N N 36 117.393 117.393 117.576 -0.183 26045 3050 1 13 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.950 -0.033 26045 3051 1 13 . 1 1 36 36 GLU C C 36 178.505 178.505 178.277 0.228 26045 3052 1 13 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.609 0.747 26045 3053 1 13 . 1 1 36 36 GLU H H 36 8.353 8.353 8.286 0.067 26045 3054 1 13 . 1 1 37 37 ARG N N 37 118.853 118.853 120.834 -1.981 26045 3055 1 13 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.100 -0.070 26045 3056 1 13 . 1 1 37 37 ARG C C 37 178.556 178.556 178.600 -0.044 26045 3057 1 13 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.008 -0.303 26045 3058 1 13 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.188 0.037 26045 3059 1 13 . 1 1 37 37 ARG H H 37 7.779 7.779 7.683 0.096 26045 3060 1 13 . 1 1 38 38 MET N N 38 118.299 118.299 116.394 1.905 26045 3061 1 13 . 1 1 38 38 MET HA H 38 4.231 4.231 4.427 -0.196 26045 3062 1 13 . 1 1 38 38 MET C C 38 177.811 177.811 177.969 -0.158 26045 3063 1 13 . 1 1 38 38 MET CA C 38 57.445 57.445 56.143 1.302 26045 3064 1 13 . 1 1 38 38 MET CB C 38 32.313 32.313 32.059 0.254 26045 3065 1 13 . 1 1 38 38 MET H H 38 7.960 7.960 7.779 0.181 26045 3066 1 13 . 1 1 39 39 ALA N N 39 121.698 121.698 122.324 -0.626 26045 3067 1 13 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.033 0.030 26045 3068 1 13 . 1 1 39 39 ALA C C 39 178.813 178.813 179.943 -1.130 26045 3069 1 13 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.044 -0.564 26045 3070 1 13 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.452 0.158 26045 3071 1 13 . 1 1 39 39 ALA H H 39 8.125 8.125 7.907 0.218 26045 3072 1 13 . 1 1 40 40 ARG N N 40 116.657 116.657 117.418 -0.761 26045 3073 1 13 . 1 1 40 40 ARG HA H 40 4.174 4.174 3.950 0.224 26045 3074 1 13 . 1 1 40 40 ARG C C 40 177.220 177.220 177.721 -0.501 26045 3075 1 13 . 1 1 40 40 ARG CA C 40 57.811 57.811 59.465 -1.654 26045 3076 1 13 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.341 0.780 26045 3077 1 13 . 1 1 40 40 ARG H H 40 7.738 7.738 7.927 -0.189 26045 3078 1 13 . 1 1 41 41 ASN N N 41 116.193 116.193 116.790 -0.597 26045 3079 1 13 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.706 0.028 26045 3080 1 13 . 1 1 41 41 ASN C C 41 175.369 175.369 176.219 -0.850 26045 3081 1 13 . 1 1 41 41 ASN CA C 41 53.837 53.837 55.616 -1.779 26045 3082 1 13 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.169 0.967 26045 3083 1 13 . 1 1 41 41 ASN H H 41 7.896 7.896 7.872 0.024 26045 3084 1 13 . 1 1 42 42 CYS N N 42 118.352 118.352 117.285 1.067 26045 3085 1 13 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.299 0.264 26045 3086 1 13 . 1 1 42 42 CYS C C 42 174.213 174.213 175.869 -1.656 26045 3087 1 13 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.589 -3.544 26045 3088 1 13 . 1 1 42 42 CYS CB C 42 41.719 41.719 26.503 15.216 26045 3089 1 13 . 1 1 42 42 CYS H H 42 7.997 7.997 7.706 0.291 26045 3090 1 13 . 1 1 43 43 GLU N N 43 122.347 122.347 120.419 1.928 26045 3091 1 13 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.431 -0.034 26045 3092 1 13 . 1 1 43 43 GLU C C 43 175.369 175.369 176.501 -1.132 26045 3093 1 13 . 1 1 43 43 GLU CA C 43 56.708 56.708 57.388 -0.680 26045 3094 1 13 . 1 1 43 43 GLU H H 43 8.307 8.307 8.018 0.289 26045 3095 1 14 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.441 0.060 26045 3096 1 14 . 1 1 2 2 PRO C C 2 178.016 178.016 176.250 1.766 26045 3097 1 14 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.814 0.997 26045 3098 1 14 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.387 -0.127 26045 3099 1 14 . 1 1 3 3 CYS N N 3 117.098 117.098 115.461 1.637 26045 3100 1 14 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.907 -0.397 26045 3101 1 14 . 1 1 3 3 CYS C C 3 176.295 176.295 175.882 0.413 26045 3102 1 14 . 1 1 3 3 CYS CA C 3 57.465 57.465 57.877 -0.412 26045 3103 1 14 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.533 12.438 26045 3104 1 14 . 1 1 3 3 CYS H H 3 9.130 9.130 8.362 0.768 26045 3105 1 14 . 1 1 4 4 GLU N N 4 121.091 121.091 122.676 -1.585 26045 3106 1 14 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.972 0.102 26045 3107 1 14 . 1 1 4 4 GLU C C 4 178.196 178.196 177.815 0.381 26045 3108 1 14 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.672 -0.130 26045 3109 1 14 . 1 1 4 4 GLU H H 4 8.177 8.177 8.629 -0.452 26045 3110 1 14 . 1 1 5 5 ASP N N 5 119.768 119.768 117.637 2.131 26045 3111 1 14 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.454 0.007 26045 3112 1 14 . 1 1 5 5 ASP C C 5 178.273 178.273 177.940 0.333 26045 3113 1 14 . 1 1 5 5 ASP CA C 5 56.425 56.425 56.355 0.070 26045 3114 1 14 . 1 1 5 5 ASP CB C 5 40.172 40.172 39.585 0.587 26045 3115 1 14 . 1 1 5 5 ASP H H 5 8.064 8.064 8.356 -0.292 26045 3116 1 14 . 1 1 6 6 LEU N N 6 121.053 121.053 122.446 -1.393 26045 3117 1 14 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.090 -0.062 26045 3118 1 14 . 1 1 6 6 LEU C C 6 177.811 177.811 178.321 -0.510 26045 3119 1 14 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.502 0.424 26045 3120 1 14 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.800 0.079 26045 3121 1 14 . 1 1 6 6 LEU H H 6 7.785 7.785 7.756 0.029 26045 3122 1 14 . 1 1 7 7 LYS N N 7 117.877 117.877 116.482 1.395 26045 3123 1 14 . 1 1 7 7 LYS HA H 7 3.795 3.795 4.000 -0.205 26045 3124 1 14 . 1 1 7 7 LYS C C 7 178.710 178.710 178.689 0.021 26045 3125 1 14 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.396 0.908 26045 3126 1 14 . 1 1 7 7 LYS CB C 7 32.284 32.284 31.938 0.346 26045 3127 1 14 . 1 1 7 7 LYS H H 7 7.995 7.995 8.314 -0.319 26045 3128 1 14 . 1 1 8 8 GLU N N 8 117.399 117.399 119.673 -2.274 26045 3129 1 14 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.171 -0.074 26045 3130 1 14 . 1 1 8 8 GLU C C 8 178.916 178.916 179.042 -0.126 26045 3131 1 14 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.455 0.235 26045 3132 1 14 . 1 1 8 8 GLU H H 8 7.760 7.760 7.644 0.116 26045 3133 1 14 . 1 1 9 9 ARG N N 9 120.362 120.362 119.926 0.436 26045 3134 1 14 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.102 -0.044 26045 3135 1 14 . 1 1 9 9 ARG C C 9 178.967 178.967 179.320 -0.353 26045 3136 1 14 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.003 0.326 26045 3137 1 14 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.073 0.283 26045 3138 1 14 . 1 1 9 9 ARG H H 9 7.996 7.996 7.967 0.029 26045 3139 1 14 . 1 1 10 10 LEU N N 10 117.258 117.258 119.151 -1.893 26045 3140 1 14 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.067 0.019 26045 3141 1 14 . 1 1 10 10 LEU C C 10 177.566 177.566 178.714 -1.148 26045 3142 1 14 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.772 -0.650 26045 3143 1 14 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.605 -0.219 26045 3144 1 14 . 1 1 10 10 LEU H H 10 8.341 8.341 7.798 0.543 26045 3145 1 14 . 1 1 11 11 LYS N N 11 119.034 119.034 117.297 1.737 26045 3146 1 14 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.083 -0.044 26045 3147 1 14 . 1 1 11 11 LYS C C 11 178.736 178.736 179.132 -0.396 26045 3148 1 14 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.233 -0.098 26045 3149 1 14 . 1 1 11 11 LYS H H 11 7.707 7.707 7.454 0.253 26045 3150 1 14 . 1 1 12 12 LYS N N 12 119.013 119.013 118.909 0.104 26045 3151 1 14 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.110 0.078 26045 3152 1 14 . 1 1 12 12 LYS C C 12 178.960 178.960 179.166 -0.206 26045 3153 1 14 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.622 -0.807 26045 3154 1 14 . 1 1 12 12 LYS H H 12 7.709 7.709 8.044 -0.335 26045 3155 1 14 . 1 1 13 13 LEU N N 13 119.078 119.078 119.240 -0.162 26045 3156 1 14 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.181 0.129 26045 3157 1 14 . 1 1 13 13 LEU C C 13 177.606 177.606 176.644 0.962 26045 3158 1 14 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.245 0.173 26045 3159 1 14 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.647 0.234 26045 3160 1 14 . 1 1 13 13 LEU H H 13 7.705 7.705 7.469 0.236 26045 3161 1 14 . 1 1 14 14 GLY N N 14 108.342 108.342 107.291 1.051 26045 3162 1 14 . 1 1 14 14 GLY C C 14 174.367 174.367 174.786 -0.419 26045 3163 1 14 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.424 0.534 26045 3164 1 14 . 1 1 14 14 GLY H H 14 8.107 8.107 7.687 0.420 26045 3165 1 14 . 1 1 15 15 MET N N 15 119.054 119.054 116.540 2.514 26045 3166 1 14 . 1 1 15 15 MET HA H 15 4.512 4.512 4.822 -0.310 26045 3167 1 14 . 1 1 15 15 MET C C 15 175.916 175.916 175.718 0.198 26045 3168 1 14 . 1 1 15 15 MET CA C 15 55.467 55.467 55.000 0.467 26045 3169 1 14 . 1 1 15 15 MET CB C 15 34.560 34.560 34.478 0.082 26045 3170 1 14 . 1 1 15 15 MET H H 15 7.686 7.686 7.547 0.139 26045 3171 1 14 . 1 1 16 16 SER N N 16 120.057 120.057 116.435 3.622 26045 3172 1 14 . 1 1 16 16 SER HA H 16 4.400 4.400 4.517 -0.117 26045 3173 1 14 . 1 1 16 16 SER C C 16 174.742 174.742 175.741 -0.999 26045 3174 1 14 . 1 1 16 16 SER CA C 16 57.747 57.747 57.667 0.080 26045 3175 1 14 . 1 1 16 16 SER CB C 16 64.785 64.785 64.142 0.643 26045 3176 1 14 . 1 1 16 16 SER H H 16 8.948 8.948 8.125 0.823 26045 3177 1 14 . 1 1 17 17 GLU N N 17 123.142 123.142 125.893 -2.751 26045 3178 1 14 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.832 0.159 26045 3179 1 14 . 1 1 17 17 GLU C C 17 178.556 178.556 177.896 0.660 26045 3180 1 14 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.531 -0.821 26045 3181 1 14 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.574 -0.348 26045 3182 1 14 . 1 1 17 17 GLU H H 17 9.035 9.035 8.973 0.062 26045 3183 1 14 . 1 1 18 18 GLU N N 18 118.705 118.705 119.253 -0.548 26045 3184 1 14 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.099 -0.070 26045 3185 1 14 . 1 1 18 18 GLU C C 18 179.173 179.173 178.412 0.761 26045 3186 1 14 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.451 0.470 26045 3187 1 14 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.079 -0.099 26045 3188 1 14 . 1 1 18 18 GLU H H 18 8.790 8.790 8.625 0.165 26045 3189 1 14 . 1 1 19 19 CYS N N 19 118.720 118.720 118.239 0.481 26045 3190 1 14 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.096 0.195 26045 3191 1 14 . 1 1 19 19 CYS C C 19 176.295 176.295 177.297 -1.002 26045 3192 1 14 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.615 -3.330 26045 3193 1 14 . 1 1 19 19 CYS CB C 19 40.375 40.375 25.823 14.552 26045 3194 1 14 . 1 1 19 19 CYS H H 19 7.875 7.875 8.472 -0.597 26045 3195 1 14 . 1 1 20 20 ARG N N 20 120.027 120.027 119.680 0.347 26045 3196 1 14 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.910 -0.057 26045 3197 1 14 . 1 1 20 20 ARG C C 20 178.633 178.633 179.095 -0.462 26045 3198 1 14 . 1 1 20 20 ARG CA C 20 60.628 60.628 60.036 0.592 26045 3199 1 14 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.764 0.087 26045 3200 1 14 . 1 1 20 20 ARG H H 20 8.507 8.507 8.099 0.408 26045 3201 1 14 . 1 1 21 21 GLN N N 21 117.558 117.558 117.854 -0.296 26045 3202 1 14 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.021 0.003 26045 3203 1 14 . 1 1 21 21 GLN C C 21 179.122 179.122 179.005 0.117 26045 3204 1 14 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.871 0.173 26045 3205 1 14 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.427 -0.146 26045 3206 1 14 . 1 1 21 21 GLN H H 21 8.379 8.379 7.956 0.423 26045 3207 1 14 . 1 1 22 22 ARG N N 22 120.355 120.355 119.648 0.707 26045 3208 1 14 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.002 0.057 26045 3209 1 14 . 1 1 22 22 ARG C C 22 178.967 178.967 178.828 0.139 26045 3210 1 14 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.722 -0.306 26045 3211 1 14 . 1 1 22 22 ARG H H 22 7.859 7.859 7.865 -0.006 26045 3212 1 14 . 1 1 23 23 LEU N N 23 120.539 120.539 119.304 1.235 26045 3213 1 14 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.042 0.006 26045 3214 1 14 . 1 1 23 23 LEU C C 23 178.890 178.890 179.008 -0.118 26045 3215 1 14 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.815 0.204 26045 3216 1 14 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.938 -0.510 26045 3217 1 14 . 1 1 23 23 LEU H H 23 8.332 8.332 8.273 0.059 26045 3218 1 14 . 1 1 24 24 GLU N N 24 119.377 119.377 118.317 1.060 26045 3219 1 14 . 1 1 24 24 GLU HA H 24 3.858 3.858 4.011 -0.152 26045 3220 1 14 . 1 1 24 24 GLU C C 24 178.762 178.762 178.922 -0.160 26045 3221 1 14 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.192 0.770 26045 3222 1 14 . 1 1 24 24 GLU H H 24 8.296 8.296 8.263 0.033 26045 3223 1 14 . 1 1 25 25 LYS N N 25 118.971 118.971 120.502 -1.531 26045 3224 1 14 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.136 -0.082 26045 3225 1 14 . 1 1 25 25 LYS C C 25 178.402 178.402 178.540 -0.138 26045 3226 1 14 . 1 1 25 25 LYS CA C 25 59.370 59.370 58.558 0.812 26045 3227 1 14 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.196 0.399 26045 3228 1 14 . 1 1 25 25 LYS H H 25 7.637 7.637 7.340 0.297 26045 3229 1 14 . 1 1 26 26 MET N N 26 117.688 117.688 118.186 -0.498 26045 3230 1 14 . 1 1 26 26 MET HA H 26 4.199 4.199 4.528 -0.329 26045 3231 1 14 . 1 1 26 26 MET C C 26 178.222 178.222 178.157 0.065 26045 3232 1 14 . 1 1 26 26 MET CA C 26 58.414 58.414 58.699 -0.285 26045 3233 1 14 . 1 1 26 26 MET CB C 26 33.182 33.182 32.693 0.489 26045 3234 1 14 . 1 1 26 26 MET H H 26 7.953 7.953 8.194 -0.241 26045 3235 1 14 . 1 1 27 27 CYS N N 27 117.669 117.669 118.115 -0.446 26045 3236 1 14 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.136 0.156 26045 3237 1 14 . 1 1 27 27 CYS C C 27 176.218 176.218 176.933 -0.715 26045 3238 1 14 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.916 -1.639 26045 3239 1 14 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.162 14.140 26045 3240 1 14 . 1 1 27 27 CYS H H 27 8.264 8.264 8.048 0.216 26045 3241 1 14 . 1 1 28 28 LYS N N 28 120.893 120.893 119.279 1.614 26045 3242 1 14 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.187 -0.003 26045 3243 1 14 . 1 1 28 28 LYS C C 28 177.862 177.862 178.027 -0.165 26045 3244 1 14 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.378 0.037 26045 3245 1 14 . 1 1 28 28 LYS CB C 28 33.096 33.096 33.151 -0.055 26045 3246 1 14 . 1 1 28 28 LYS H H 28 7.983 7.983 7.704 0.279 26045 3247 1 14 . 1 1 29 29 GLU N N 29 117.203 117.203 121.095 -3.892 26045 3248 1 14 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.370 -0.006 26045 3249 1 14 . 1 1 29 29 GLU C C 29 176.937 176.937 175.920 1.017 26045 3250 1 14 . 1 1 29 29 GLU CA C 29 56.783 56.783 55.560 1.223 26045 3251 1 14 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.316 1.024 26045 3252 1 14 . 1 1 29 29 GLU H H 29 8.110 8.110 8.078 0.032 26045 3253 1 14 . 1 1 30 30 GLY N N 30 109.260 109.260 112.712 -3.452 26045 3254 1 14 . 1 1 30 30 GLY C C 30 174.162 174.162 172.960 1.202 26045 3255 1 14 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.757 0.739 26045 3256 1 14 . 1 1 30 30 GLY H H 30 7.990 7.990 7.995 -0.005 26045 3257 1 14 . 1 1 31 31 THR N N 31 113.648 113.648 113.597 0.051 26045 3258 1 14 . 1 1 31 31 THR HA H 31 4.594 4.594 4.780 -0.186 26045 3259 1 14 . 1 1 31 31 THR C C 31 175.035 175.035 175.297 -0.262 26045 3260 1 14 . 1 1 31 31 THR CA C 31 60.974 60.974 60.545 0.428 26045 3261 1 14 . 1 1 31 31 THR CB C 31 70.524 70.524 71.838 -1.315 26045 3262 1 14 . 1 1 31 31 THR H H 31 8.257 8.257 7.993 0.264 26045 3263 1 14 . 1 1 32 32 SER N N 32 118.066 118.066 117.983 0.083 26045 3264 1 14 . 1 1 32 32 SER HA H 32 4.360 4.360 4.168 0.192 26045 3265 1 14 . 1 1 32 32 SER C C 32 175.472 175.472 176.168 -0.696 26045 3266 1 14 . 1 1 32 32 SER CA C 32 59.857 59.857 61.832 -1.975 26045 3267 1 14 . 1 1 32 32 SER CB C 32 63.485 63.485 63.401 0.083 26045 3268 1 14 . 1 1 32 32 SER H H 32 8.633 8.633 8.844 -0.211 26045 3269 1 14 . 1 1 33 33 GLU N N 33 122.577 122.577 121.564 1.013 26045 3270 1 14 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.214 -0.005 26045 3271 1 14 . 1 1 33 33 GLU C C 33 177.528 177.528 177.842 -0.314 26045 3272 1 14 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.244 -0.838 26045 3273 1 14 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.175 0.612 26045 3274 1 14 . 1 1 33 33 GLU H H 33 8.532 8.532 8.384 0.148 26045 3275 1 14 . 1 1 34 34 ASP N N 34 120.121 120.121 119.094 1.027 26045 3276 1 14 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.549 -0.062 26045 3277 1 14 . 1 1 34 34 ASP C C 34 177.605 177.605 177.856 -0.251 26045 3278 1 14 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.422 -0.596 26045 3279 1 14 . 1 1 34 34 ASP CB C 34 40.979 40.979 41.325 -0.346 26045 3280 1 14 . 1 1 34 34 ASP H H 34 8.122 8.122 7.828 0.294 26045 3281 1 14 . 1 1 35 35 ALA N N 35 123.997 123.997 122.706 1.291 26045 3282 1 14 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.023 -0.014 26045 3283 1 14 . 1 1 35 35 ALA C C 35 178.890 178.890 179.130 -0.240 26045 3284 1 14 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.004 0.186 26045 3285 1 14 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.589 0.230 26045 3286 1 14 . 1 1 35 35 ALA H H 35 8.107 8.107 7.559 0.547 26045 3287 1 14 . 1 1 36 36 GLU N N 36 117.393 117.393 116.955 0.438 26045 3288 1 14 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.867 0.050 26045 3289 1 14 . 1 1 36 36 GLU C C 36 178.505 178.505 178.654 -0.149 26045 3290 1 14 . 1 1 36 36 GLU CA C 36 59.356 59.356 59.042 0.314 26045 3291 1 14 . 1 1 36 36 GLU H H 36 8.353 8.353 8.363 -0.010 26045 3292 1 14 . 1 1 37 37 ARG N N 37 118.853 118.853 118.919 -0.066 26045 3293 1 14 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.127 -0.097 26045 3294 1 14 . 1 1 37 37 ARG C C 37 178.556 178.556 178.837 -0.281 26045 3295 1 14 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.771 -0.066 26045 3296 1 14 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.044 0.181 26045 3297 1 14 . 1 1 37 37 ARG H H 37 7.779 7.779 7.427 0.352 26045 3298 1 14 . 1 1 38 38 MET N N 38 118.299 118.299 116.927 1.372 26045 3299 1 14 . 1 1 38 38 MET HA H 38 4.231 4.231 4.414 -0.183 26045 3300 1 14 . 1 1 38 38 MET C C 38 177.811 177.811 177.594 0.217 26045 3301 1 14 . 1 1 38 38 MET CA C 38 57.445 57.445 56.258 1.187 26045 3302 1 14 . 1 1 38 38 MET CB C 38 32.313 32.313 31.772 0.541 26045 3303 1 14 . 1 1 38 38 MET H H 38 7.960 7.960 7.481 0.479 26045 3304 1 14 . 1 1 39 39 ALA N N 39 121.698 121.698 121.526 0.172 26045 3305 1 14 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.122 -0.059 26045 3306 1 14 . 1 1 39 39 ALA C C 39 178.813 178.813 179.086 -0.273 26045 3307 1 14 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.590 -0.110 26045 3308 1 14 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.876 -0.266 26045 3309 1 14 . 1 1 39 39 ALA H H 39 8.125 8.125 7.887 0.238 26045 3310 1 14 . 1 1 40 40 ARG N N 40 116.657 116.657 116.264 0.393 26045 3311 1 14 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.089 0.085 26045 3312 1 14 . 1 1 40 40 ARG C C 40 177.220 177.220 177.912 -0.692 26045 3313 1 14 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.824 -1.013 26045 3314 1 14 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.008 0.113 26045 3315 1 14 . 1 1 40 40 ARG H H 40 7.738 7.738 7.999 -0.261 26045 3316 1 14 . 1 1 41 41 ASN N N 41 116.193 116.193 117.359 -1.166 26045 3317 1 14 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.741 -0.007 26045 3318 1 14 . 1 1 41 41 ASN C C 41 175.369 175.369 176.240 -0.871 26045 3319 1 14 . 1 1 41 41 ASN CA C 41 53.837 53.837 54.042 -0.205 26045 3320 1 14 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.066 1.070 26045 3321 1 14 . 1 1 41 41 ASN H H 41 7.896 7.896 7.739 0.157 26045 3322 1 14 . 1 1 42 42 CYS N N 42 118.352 118.352 118.728 -0.376 26045 3323 1 14 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.270 0.293 26045 3324 1 14 . 1 1 42 42 CYS C C 42 174.213 174.213 175.506 -1.293 26045 3325 1 14 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.410 -3.365 26045 3326 1 14 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.675 14.044 26045 3327 1 14 . 1 1 42 42 CYS H H 42 7.997 7.997 7.602 0.395 26045 3328 1 14 . 1 1 43 43 GLU N N 43 122.347 122.347 117.842 4.505 26045 3329 1 14 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.493 -0.096 26045 3330 1 14 . 1 1 43 43 GLU C C 43 175.369 175.369 175.380 -0.011 26045 3331 1 14 . 1 1 43 43 GLU CA C 43 56.708 56.708 55.973 0.735 26045 3332 1 14 . 1 1 43 43 GLU H H 43 8.307 8.307 8.765 -0.458 26045 3333 1 15 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.539 -0.038 26045 3334 1 15 . 1 1 2 2 PRO C C 2 178.016 178.016 176.339 1.677 26045 3335 1 15 . 1 1 2 2 PRO CA C 2 64.811 64.811 62.412 2.399 26045 3336 1 15 . 1 1 2 2 PRO CB C 2 32.260 32.260 29.701 2.559 26045 3337 1 15 . 1 1 3 3 CYS N N 3 117.098 117.098 117.506 -0.408 26045 3338 1 15 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.069 0.441 26045 3339 1 15 . 1 1 3 3 CYS C C 3 176.295 176.295 176.063 0.232 26045 3340 1 15 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.373 -1.908 26045 3341 1 15 . 1 1 3 3 CYS CB C 3 39.971 39.971 25.978 13.993 26045 3342 1 15 . 1 1 3 3 CYS H H 3 9.130 9.130 8.296 0.834 26045 3343 1 15 . 1 1 4 4 GLU N N 4 121.091 121.091 120.777 0.314 26045 3344 1 15 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.935 0.139 26045 3345 1 15 . 1 1 4 4 GLU C C 4 178.196 178.196 177.821 0.375 26045 3346 1 15 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.404 0.138 26045 3347 1 15 . 1 1 4 4 GLU H H 4 8.177 8.177 8.722 -0.545 26045 3348 1 15 . 1 1 5 5 ASP N N 5 119.768 119.768 119.302 0.466 26045 3349 1 15 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.552 -0.091 26045 3350 1 15 . 1 1 5 5 ASP C C 5 178.273 178.273 178.341 -0.068 26045 3351 1 15 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.132 -0.707 26045 3352 1 15 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.411 -0.239 26045 3353 1 15 . 1 1 5 5 ASP H H 5 8.064 8.064 8.349 -0.285 26045 3354 1 15 . 1 1 6 6 LEU N N 6 121.053 121.053 119.934 1.119 26045 3355 1 15 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.125 -0.097 26045 3356 1 15 . 1 1 6 6 LEU C C 6 177.811 177.811 178.129 -0.318 26045 3357 1 15 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.441 0.485 26045 3358 1 15 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.989 -0.110 26045 3359 1 15 . 1 1 6 6 LEU H H 6 7.785 7.785 7.751 0.034 26045 3360 1 15 . 1 1 7 7 LYS N N 7 117.877 117.877 119.679 -1.802 26045 3361 1 15 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.881 -0.086 26045 3362 1 15 . 1 1 7 7 LYS C C 7 178.710 178.710 178.615 0.095 26045 3363 1 15 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.734 0.570 26045 3364 1 15 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.508 -0.224 26045 3365 1 15 . 1 1 7 7 LYS H H 7 7.995 7.995 8.056 -0.061 26045 3366 1 15 . 1 1 8 8 GLU N N 8 117.399 117.399 117.556 -0.157 26045 3367 1 15 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.039 0.058 26045 3368 1 15 . 1 1 8 8 GLU C C 8 178.916 178.916 179.019 -0.103 26045 3369 1 15 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.156 -0.467 26045 3370 1 15 . 1 1 8 8 GLU H H 8 7.760 7.760 8.078 -0.318 26045 3371 1 15 . 1 1 9 9 ARG N N 9 120.362 120.362 119.963 0.399 26045 3372 1 15 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.053 0.005 26045 3373 1 15 . 1 1 9 9 ARG C C 9 178.967 178.967 178.920 0.047 26045 3374 1 15 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.014 0.314 26045 3375 1 15 . 1 1 9 9 ARG CB C 9 30.356 30.356 29.983 0.374 26045 3376 1 15 . 1 1 9 9 ARG H H 9 7.996 7.996 7.482 0.514 26045 3377 1 15 . 1 1 10 10 LEU N N 10 117.258 117.258 119.294 -2.036 26045 3378 1 15 . 1 1 10 10 LEU HA H 10 4.086 4.086 3.999 0.087 26045 3379 1 15 . 1 1 10 10 LEU C C 10 177.566 177.566 179.011 -1.445 26045 3380 1 15 . 1 1 10 10 LEU CA C 10 57.122 57.122 58.050 -0.927 26045 3381 1 15 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.361 0.025 26045 3382 1 15 . 1 1 10 10 LEU H H 10 8.341 8.341 7.602 0.739 26045 3383 1 15 . 1 1 11 11 LYS N N 11 119.034 119.034 117.633 1.401 26045 3384 1 15 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.034 0.005 26045 3385 1 15 . 1 1 11 11 LYS C C 11 178.736 178.736 179.226 -0.490 26045 3386 1 15 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.311 -0.176 26045 3387 1 15 . 1 1 11 11 LYS H H 11 7.707 7.707 7.586 0.121 26045 3388 1 15 . 1 1 12 12 LYS N N 12 119.013 119.013 119.730 -0.717 26045 3389 1 15 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.122 0.066 26045 3390 1 15 . 1 1 12 12 LYS C C 12 178.960 178.960 179.295 -0.335 26045 3391 1 15 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.306 -0.491 26045 3392 1 15 . 1 1 12 12 LYS H H 12 7.709 7.709 7.725 -0.016 26045 3393 1 15 . 1 1 13 13 LEU N N 13 119.078 119.078 117.802 1.276 26045 3394 1 15 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.183 0.127 26045 3395 1 15 . 1 1 13 13 LEU C C 13 177.606 177.606 177.471 0.135 26045 3396 1 15 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.214 0.204 26045 3397 1 15 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.505 0.376 26045 3398 1 15 . 1 1 13 13 LEU H H 13 7.705 7.705 8.150 -0.445 26045 3399 1 15 . 1 1 14 14 GLY N N 14 108.342 108.342 107.951 0.391 26045 3400 1 15 . 1 1 14 14 GLY C C 14 174.367 174.367 174.742 -0.375 26045 3401 1 15 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.357 0.601 26045 3402 1 15 . 1 1 14 14 GLY H H 14 8.107 8.107 7.499 0.608 26045 3403 1 15 . 1 1 15 15 MET N N 15 119.054 119.054 116.922 2.132 26045 3404 1 15 . 1 1 15 15 MET HA H 15 4.512 4.512 4.678 -0.166 26045 3405 1 15 . 1 1 15 15 MET C C 15 175.916 175.916 175.980 -0.064 26045 3406 1 15 . 1 1 15 15 MET CA C 15 55.467 55.467 55.154 0.312 26045 3407 1 15 . 1 1 15 15 MET CB C 15 34.560 34.560 33.701 0.859 26045 3408 1 15 . 1 1 15 15 MET H H 15 7.686 7.686 7.568 0.118 26045 3409 1 15 . 1 1 16 16 SER N N 16 120.057 120.057 115.352 4.705 26045 3410 1 15 . 1 1 16 16 SER HA H 16 4.400 4.400 4.390 0.010 26045 3411 1 15 . 1 1 16 16 SER C C 16 174.742 174.742 175.626 -0.884 26045 3412 1 15 . 1 1 16 16 SER CA C 16 57.747 57.747 58.484 -0.737 26045 3413 1 15 . 1 1 16 16 SER CB C 16 64.785 64.785 63.771 1.014 26045 3414 1 15 . 1 1 16 16 SER H H 16 8.948 8.948 8.759 0.189 26045 3415 1 15 . 1 1 17 17 GLU N N 17 123.142 123.142 123.916 -0.774 26045 3416 1 15 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.989 0.002 26045 3417 1 15 . 1 1 17 17 GLU C C 17 178.556 178.556 178.919 -0.363 26045 3418 1 15 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.279 0.431 26045 3419 1 15 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.680 -0.454 26045 3420 1 15 . 1 1 17 17 GLU H H 17 9.035 9.035 8.953 0.082 26045 3421 1 15 . 1 1 18 18 GLU N N 18 118.705 118.705 119.798 -1.093 26045 3422 1 15 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.154 -0.125 26045 3423 1 15 . 1 1 18 18 GLU C C 18 179.173 179.173 178.291 0.882 26045 3424 1 15 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.202 0.719 26045 3425 1 15 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.598 -0.618 26045 3426 1 15 . 1 1 18 18 GLU H H 18 8.790 8.790 8.615 0.175 26045 3427 1 15 . 1 1 19 19 CYS N N 19 118.720 118.720 119.128 -0.408 26045 3428 1 15 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.261 0.030 26045 3429 1 15 . 1 1 19 19 CYS C C 19 176.295 176.295 177.249 -0.954 26045 3430 1 15 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.015 -2.730 26045 3431 1 15 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.496 13.879 26045 3432 1 15 . 1 1 19 19 CYS H H 19 7.875 7.875 7.408 0.467 26045 3433 1 15 . 1 1 20 20 ARG N N 20 120.027 120.027 119.463 0.564 26045 3434 1 15 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.076 -0.222 26045 3435 1 15 . 1 1 20 20 ARG C C 20 178.633 178.633 178.934 -0.301 26045 3436 1 15 . 1 1 20 20 ARG CA C 20 60.628 60.628 58.491 2.137 26045 3437 1 15 . 1 1 20 20 ARG CB C 20 29.851 29.851 28.264 1.587 26045 3438 1 15 . 1 1 20 20 ARG H H 20 8.507 8.507 7.968 0.539 26045 3439 1 15 . 1 1 21 21 GLN N N 21 117.558 117.558 118.758 -1.200 26045 3440 1 15 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.371 -0.347 26045 3441 1 15 . 1 1 21 21 GLN C C 21 179.122 179.122 178.519 0.603 26045 3442 1 15 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.311 0.733 26045 3443 1 15 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.498 -0.217 26045 3444 1 15 . 1 1 21 21 GLN H H 21 8.379 8.379 7.782 0.597 26045 3445 1 15 . 1 1 22 22 ARG N N 22 120.355 120.355 119.980 0.375 26045 3446 1 15 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.109 -0.050 26045 3447 1 15 . 1 1 22 22 ARG C C 22 178.967 178.967 178.680 0.287 26045 3448 1 15 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.451 -0.035 26045 3449 1 15 . 1 1 22 22 ARG H H 22 7.859 7.859 7.866 -0.007 26045 3450 1 15 . 1 1 23 23 LEU N N 23 120.539 120.539 119.238 1.301 26045 3451 1 15 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.087 -0.039 26045 3452 1 15 . 1 1 23 23 LEU C C 23 178.890 178.890 178.683 0.207 26045 3453 1 15 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.663 0.355 26045 3454 1 15 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.871 -0.443 26045 3455 1 15 . 1 1 23 23 LEU H H 23 8.332 8.332 7.912 0.420 26045 3456 1 15 . 1 1 24 24 GLU N N 24 119.377 119.377 118.122 1.255 26045 3457 1 15 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.997 -0.139 26045 3458 1 15 . 1 1 24 24 GLU C C 24 178.762 178.762 178.464 0.298 26045 3459 1 15 . 1 1 24 24 GLU CA C 24 59.962 59.962 58.916 1.046 26045 3460 1 15 . 1 1 24 24 GLU H H 24 8.296 8.296 8.436 -0.140 26045 3461 1 15 . 1 1 25 25 LYS N N 25 118.971 118.971 120.728 -1.757 26045 3462 1 15 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.075 -0.021 26045 3463 1 15 . 1 1 25 25 LYS C C 25 178.402 178.402 178.830 -0.428 26045 3464 1 15 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.065 0.305 26045 3465 1 15 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.306 0.289 26045 3466 1 15 . 1 1 25 25 LYS H H 25 7.637 7.637 7.475 0.162 26045 3467 1 15 . 1 1 26 26 MET N N 26 117.688 117.688 117.914 -0.226 26045 3468 1 15 . 1 1 26 26 MET HA H 26 4.199 4.199 4.151 0.048 26045 3469 1 15 . 1 1 26 26 MET C C 26 178.222 178.222 178.184 0.038 26045 3470 1 15 . 1 1 26 26 MET CA C 26 58.414 58.414 58.483 -0.070 26045 3471 1 15 . 1 1 26 26 MET CB C 26 33.182 33.182 32.547 0.635 26045 3472 1 15 . 1 1 26 26 MET H H 26 7.953 7.953 7.771 0.182 26045 3473 1 15 . 1 1 27 27 CYS N N 27 117.669 117.669 117.343 0.326 26045 3474 1 15 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.205 0.087 26045 3475 1 15 . 1 1 27 27 CYS C C 27 176.218 176.218 176.290 -0.072 26045 3476 1 15 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.016 -1.739 26045 3477 1 15 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.490 13.812 26045 3478 1 15 . 1 1 27 27 CYS H H 27 8.264 8.264 8.047 0.217 26045 3479 1 15 . 1 1 28 28 LYS N N 28 120.893 120.893 117.386 3.507 26045 3480 1 15 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.255 -0.071 26045 3481 1 15 . 1 1 28 28 LYS C C 28 177.862 177.862 178.811 -0.949 26045 3482 1 15 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.239 0.176 26045 3483 1 15 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.697 0.399 26045 3484 1 15 . 1 1 28 28 LYS H H 28 7.983 7.983 7.443 0.540 26045 3485 1 15 . 1 1 29 29 GLU N N 29 117.203 117.203 119.462 -2.259 26045 3486 1 15 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.311 0.053 26045 3487 1 15 . 1 1 29 29 GLU C C 29 176.937 176.937 176.543 0.394 26045 3488 1 15 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.049 -0.266 26045 3489 1 15 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.114 0.226 26045 3490 1 15 . 1 1 29 29 GLU H H 29 8.110 8.110 8.143 -0.033 26045 3491 1 15 . 1 1 30 30 GLY N N 30 109.260 109.260 108.655 0.605 26045 3492 1 15 . 1 1 30 30 GLY C C 30 174.162 174.162 173.687 0.475 26045 3493 1 15 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.106 0.390 26045 3494 1 15 . 1 1 30 30 GLY H H 30 7.990 7.990 7.740 0.250 26045 3495 1 15 . 1 1 31 31 THR N N 31 113.648 113.648 112.935 0.713 26045 3496 1 15 . 1 1 31 31 THR HA H 31 4.594 4.594 4.641 -0.047 26045 3497 1 15 . 1 1 31 31 THR C C 31 175.035 175.035 175.118 -0.083 26045 3498 1 15 . 1 1 31 31 THR CA C 31 60.974 60.974 60.408 0.566 26045 3499 1 15 . 1 1 31 31 THR CB C 31 70.524 70.524 72.115 -1.591 26045 3500 1 15 . 1 1 31 31 THR H H 31 8.257 8.257 7.849 0.408 26045 3501 1 15 . 1 1 32 32 SER N N 32 118.066 118.066 117.479 0.587 26045 3502 1 15 . 1 1 32 32 SER HA H 32 4.360 4.360 4.135 0.225 26045 3503 1 15 . 1 1 32 32 SER C C 32 175.472 175.472 176.247 -0.775 26045 3504 1 15 . 1 1 32 32 SER CA C 32 59.857 59.857 61.830 -1.973 26045 3505 1 15 . 1 1 32 32 SER CB C 32 63.485 63.485 63.007 0.478 26045 3506 1 15 . 1 1 32 32 SER H H 32 8.633 8.633 8.833 -0.200 26045 3507 1 15 . 1 1 33 33 GLU N N 33 122.577 122.577 122.296 0.281 26045 3508 1 15 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.075 0.134 26045 3509 1 15 . 1 1 33 33 GLU C C 33 177.528 177.528 178.562 -1.034 26045 3510 1 15 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.462 -1.056 26045 3511 1 15 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.030 0.758 26045 3512 1 15 . 1 1 33 33 GLU H H 33 8.532 8.532 8.465 0.067 26045 3513 1 15 . 1 1 34 34 ASP N N 34 120.121 120.121 119.546 0.575 26045 3514 1 15 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.382 0.105 26045 3515 1 15 . 1 1 34 34 ASP C C 34 177.605 177.605 178.113 -0.508 26045 3516 1 15 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.052 -1.226 26045 3517 1 15 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.758 0.221 26045 3518 1 15 . 1 1 34 34 ASP H H 34 8.122 8.122 7.790 0.332 26045 3519 1 15 . 1 1 35 35 ALA N N 35 123.997 123.997 123.009 0.988 26045 3520 1 15 . 1 1 35 35 ALA HA H 35 4.009 4.009 3.974 0.035 26045 3521 1 15 . 1 1 35 35 ALA C C 35 178.890 178.890 179.050 -0.160 26045 3522 1 15 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.369 -0.179 26045 3523 1 15 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.625 0.194 26045 3524 1 15 . 1 1 35 35 ALA H H 35 8.107 8.107 7.553 0.554 26045 3525 1 15 . 1 1 36 36 GLU N N 36 117.393 117.393 118.107 -0.714 26045 3526 1 15 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.940 -0.023 26045 3527 1 15 . 1 1 36 36 GLU C C 36 178.505 178.505 178.652 -0.147 26045 3528 1 15 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.825 0.531 26045 3529 1 15 . 1 1 36 36 GLU H H 36 8.353 8.353 8.009 0.344 26045 3530 1 15 . 1 1 37 37 ARG N N 37 118.853 118.853 121.110 -2.257 26045 3531 1 15 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.066 -0.036 26045 3532 1 15 . 1 1 37 37 ARG C C 37 178.556 178.556 178.315 0.241 26045 3533 1 15 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.146 -0.441 26045 3534 1 15 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.228 -0.003 26045 3535 1 15 . 1 1 37 37 ARG H H 37 7.779 7.779 7.860 -0.081 26045 3536 1 15 . 1 1 38 38 MET N N 38 118.299 118.299 115.514 2.785 26045 3537 1 15 . 1 1 38 38 MET HA H 38 4.231 4.231 4.440 -0.209 26045 3538 1 15 . 1 1 38 38 MET C C 38 177.811 177.811 178.265 -0.454 26045 3539 1 15 . 1 1 38 38 MET CA C 38 57.445 57.445 56.218 1.227 26045 3540 1 15 . 1 1 38 38 MET CB C 38 32.313 32.313 32.309 0.004 26045 3541 1 15 . 1 1 38 38 MET H H 38 7.960 7.960 7.761 0.199 26045 3542 1 15 . 1 1 39 39 ALA N N 39 121.698 121.698 123.046 -1.348 26045 3543 1 15 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.090 -0.027 26045 3544 1 15 . 1 1 39 39 ALA C C 39 178.813 178.813 178.684 0.129 26045 3545 1 15 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.953 -0.473 26045 3546 1 15 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.729 -0.119 26045 3547 1 15 . 1 1 39 39 ALA H H 39 8.125 8.125 8.090 0.035 26045 3548 1 15 . 1 1 40 40 ARG N N 40 116.657 116.657 116.634 0.023 26045 3549 1 15 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.268 -0.094 26045 3550 1 15 . 1 1 40 40 ARG C C 40 177.220 177.220 177.242 -0.022 26045 3551 1 15 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.232 -0.421 26045 3552 1 15 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.815 0.306 26045 3553 1 15 . 1 1 40 40 ARG H H 40 7.738 7.738 7.992 -0.254 26045 3554 1 15 . 1 1 41 41 ASN N N 41 116.193 116.193 115.663 0.530 26045 3555 1 15 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.728 0.007 26045 3556 1 15 . 1 1 41 41 ASN C C 41 175.369 175.369 175.058 0.311 26045 3557 1 15 . 1 1 41 41 ASN CA C 41 53.837 53.837 54.653 -0.816 26045 3558 1 15 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.482 -0.346 26045 3559 1 15 . 1 1 41 41 ASN H H 41 7.896 7.896 7.987 -0.091 26045 3560 1 15 . 1 1 42 42 CYS N N 42 118.352 118.352 118.858 -0.506 26045 3561 1 15 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.607 -0.044 26045 3562 1 15 . 1 1 42 42 CYS C C 42 174.213 174.213 175.784 -1.571 26045 3563 1 15 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.793 -3.748 26045 3564 1 15 . 1 1 42 42 CYS CB C 42 41.719 41.719 28.647 13.072 26045 3565 1 15 . 1 1 42 42 CYS H H 42 7.997 7.997 7.999 -0.002 26045 3566 1 15 . 1 1 43 43 GLU N N 43 122.347 122.347 118.864 3.483 26045 3567 1 15 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.664 -0.267 26045 3568 1 15 . 1 1 43 43 GLU C C 43 175.369 175.369 175.930 -0.561 26045 3569 1 15 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.578 0.130 26045 3570 1 15 . 1 1 43 43 GLU H H 43 8.307 8.307 8.786 -0.479 26045 3571 1 16 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.409 0.092 26045 3572 1 16 . 1 1 2 2 PRO C C 2 178.016 178.016 176.851 1.165 26045 3573 1 16 . 1 1 2 2 PRO CA C 2 64.811 64.811 64.653 0.158 26045 3574 1 16 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.554 -0.294 26045 3575 1 16 . 1 1 3 3 CYS N N 3 117.098 117.098 114.739 2.359 26045 3576 1 16 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.802 -0.292 26045 3577 1 16 . 1 1 3 3 CYS C C 3 176.295 176.295 176.178 0.117 26045 3578 1 16 . 1 1 3 3 CYS CA C 3 57.465 57.465 58.286 -0.821 26045 3579 1 16 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.223 12.748 26045 3580 1 16 . 1 1 3 3 CYS H H 3 9.130 9.130 8.130 1.000 26045 3581 1 16 . 1 1 4 4 GLU N N 4 121.091 121.091 121.944 -0.853 26045 3582 1 16 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.941 0.133 26045 3583 1 16 . 1 1 4 4 GLU C C 4 178.196 178.196 177.692 0.504 26045 3584 1 16 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.448 0.094 26045 3585 1 16 . 1 1 4 4 GLU H H 4 8.177 8.177 8.767 -0.590 26045 3586 1 16 . 1 1 5 5 ASP N N 5 119.768 119.768 120.019 -0.251 26045 3587 1 16 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.391 0.070 26045 3588 1 16 . 1 1 5 5 ASP C C 5 178.273 178.273 178.027 0.246 26045 3589 1 16 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.102 -0.677 26045 3590 1 16 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.228 -0.056 26045 3591 1 16 . 1 1 5 5 ASP H H 5 8.064 8.064 8.386 -0.322 26045 3592 1 16 . 1 1 6 6 LEU N N 6 121.053 121.053 120.073 0.980 26045 3593 1 16 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.044 -0.016 26045 3594 1 16 . 1 1 6 6 LEU C C 6 177.811 177.811 178.239 -0.428 26045 3595 1 16 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.875 0.051 26045 3596 1 16 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.918 -0.039 26045 3597 1 16 . 1 1 6 6 LEU H H 6 7.785 7.785 7.831 -0.046 26045 3598 1 16 . 1 1 7 7 LYS N N 7 117.877 117.877 118.976 -1.099 26045 3599 1 16 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.892 -0.097 26045 3600 1 16 . 1 1 7 7 LYS C C 7 178.710 178.710 178.961 -0.251 26045 3601 1 16 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.698 0.606 26045 3602 1 16 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.306 -0.022 26045 3603 1 16 . 1 1 7 7 LYS H H 7 7.995 7.995 7.958 0.037 26045 3604 1 16 . 1 1 8 8 GLU N N 8 117.399 117.399 118.137 -0.738 26045 3605 1 16 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.104 -0.007 26045 3606 1 16 . 1 1 8 8 GLU C C 8 178.916 178.916 179.087 -0.171 26045 3607 1 16 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.736 -0.047 26045 3608 1 16 . 1 1 8 8 GLU H H 8 7.760 7.760 7.908 -0.148 26045 3609 1 16 . 1 1 9 9 ARG N N 9 120.362 120.362 120.603 -0.241 26045 3610 1 16 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.062 -0.004 26045 3611 1 16 . 1 1 9 9 ARG C C 9 178.967 178.967 178.706 0.261 26045 3612 1 16 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.218 0.111 26045 3613 1 16 . 1 1 9 9 ARG CB C 9 30.356 30.356 29.985 0.371 26045 3614 1 16 . 1 1 9 9 ARG H H 9 7.996 7.996 7.919 0.077 26045 3615 1 16 . 1 1 10 10 LEU N N 10 117.258 117.258 119.456 -2.198 26045 3616 1 16 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.040 0.046 26045 3617 1 16 . 1 1 10 10 LEU C C 10 177.566 177.566 179.283 -1.717 26045 3618 1 16 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.817 -0.695 26045 3619 1 16 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.619 -0.233 26045 3620 1 16 . 1 1 10 10 LEU H H 10 8.341 8.341 7.907 0.434 26045 3621 1 16 . 1 1 11 11 LYS N N 11 119.034 119.034 117.435 1.599 26045 3622 1 16 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.004 0.035 26045 3623 1 16 . 1 1 11 11 LYS C C 11 178.736 178.736 178.918 -0.182 26045 3624 1 16 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.277 -0.142 26045 3625 1 16 . 1 1 11 11 LYS H H 11 7.707 7.707 7.642 0.065 26045 3626 1 16 . 1 1 12 12 LYS N N 12 119.013 119.013 119.227 -0.214 26045 3627 1 16 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.169 0.019 26045 3628 1 16 . 1 1 12 12 LYS C C 12 178.960 178.960 178.240 0.720 26045 3629 1 16 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.180 -0.365 26045 3630 1 16 . 1 1 12 12 LYS H H 12 7.709 7.709 7.534 0.175 26045 3631 1 16 . 1 1 13 13 LEU N N 13 119.078 119.078 118.641 0.437 26045 3632 1 16 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.362 -0.052 26045 3633 1 16 . 1 1 13 13 LEU C C 13 177.606 177.606 176.700 0.906 26045 3634 1 16 . 1 1 13 13 LEU CA C 13 55.418 55.418 54.654 0.764 26045 3635 1 16 . 1 1 13 13 LEU CB C 13 42.881 42.881 43.310 -0.430 26045 3636 1 16 . 1 1 13 13 LEU H H 13 7.705 7.705 7.749 -0.044 26045 3637 1 16 . 1 1 14 14 GLY N N 14 108.342 108.342 108.342 0.000 26045 3638 1 16 . 1 1 14 14 GLY C C 14 174.367 174.367 173.124 1.243 26045 3639 1 16 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.154 0.804 26045 3640 1 16 . 1 1 14 14 GLY H H 14 8.107 8.107 7.966 0.141 26045 3641 1 16 . 1 1 15 15 MET N N 15 119.054 119.054 118.326 0.728 26045 3642 1 16 . 1 1 15 15 MET HA H 15 4.512 4.512 5.163 -0.651 26045 3643 1 16 . 1 1 15 15 MET C C 15 175.916 175.916 175.089 0.827 26045 3644 1 16 . 1 1 15 15 MET CA C 15 55.467 55.467 52.836 2.631 26045 3645 1 16 . 1 1 15 15 MET CB C 15 34.560 34.560 35.675 -1.115 26045 3646 1 16 . 1 1 15 15 MET H H 15 7.686 7.686 7.862 -0.176 26045 3647 1 16 . 1 1 16 16 SER N N 16 120.057 120.057 116.644 3.413 26045 3648 1 16 . 1 1 16 16 SER HA H 16 4.400 4.400 4.308 0.092 26045 3649 1 16 . 1 1 16 16 SER C C 16 174.742 174.742 175.720 -0.978 26045 3650 1 16 . 1 1 16 16 SER CA C 16 57.747 57.747 59.400 -1.653 26045 3651 1 16 . 1 1 16 16 SER CB C 16 64.785 64.785 63.649 1.136 26045 3652 1 16 . 1 1 16 16 SER H H 16 8.948 8.948 8.460 0.488 26045 3653 1 16 . 1 1 17 17 GLU N N 17 123.142 123.142 124.358 -1.216 26045 3654 1 16 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.945 0.046 26045 3655 1 16 . 1 1 17 17 GLU C C 17 178.556 178.556 178.600 -0.044 26045 3656 1 16 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.850 -0.140 26045 3657 1 16 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.722 -0.496 26045 3658 1 16 . 1 1 17 17 GLU H H 17 9.035 9.035 8.985 0.050 26045 3659 1 16 . 1 1 18 18 GLU N N 18 118.705 118.705 118.943 -0.238 26045 3660 1 16 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.080 -0.051 26045 3661 1 16 . 1 1 18 18 GLU C C 18 179.173 179.173 178.568 0.605 26045 3662 1 16 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.965 0.956 26045 3663 1 16 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.419 -0.439 26045 3664 1 16 . 1 1 18 18 GLU H H 18 8.790 8.790 8.781 0.009 26045 3665 1 16 . 1 1 19 19 CYS N N 19 118.720 118.720 118.316 0.404 26045 3666 1 16 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.294 -0.003 26045 3667 1 16 . 1 1 19 19 CYS C C 19 176.295 176.295 177.193 -0.898 26045 3668 1 16 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.031 -2.746 26045 3669 1 16 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.562 13.813 26045 3670 1 16 . 1 1 19 19 CYS H H 19 7.875 7.875 7.917 -0.042 26045 3671 1 16 . 1 1 20 20 ARG N N 20 120.027 120.027 119.429 0.598 26045 3672 1 16 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.987 -0.133 26045 3673 1 16 . 1 1 20 20 ARG C C 20 178.633 178.633 178.940 -0.307 26045 3674 1 16 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.384 1.244 26045 3675 1 16 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.478 0.373 26045 3676 1 16 . 1 1 20 20 ARG H H 20 8.507 8.507 7.791 0.716 26045 3677 1 16 . 1 1 21 21 GLN N N 21 117.558 117.558 118.343 -0.785 26045 3678 1 16 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.035 -0.011 26045 3679 1 16 . 1 1 21 21 GLN C C 21 179.122 179.122 178.580 0.542 26045 3680 1 16 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.844 0.200 26045 3681 1 16 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.420 -0.139 26045 3682 1 16 . 1 1 21 21 GLN H H 21 8.379 8.379 8.009 0.370 26045 3683 1 16 . 1 1 22 22 ARG N N 22 120.355 120.355 119.840 0.515 26045 3684 1 16 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.120 -0.061 26045 3685 1 16 . 1 1 22 22 ARG C C 22 178.967 178.967 178.793 0.174 26045 3686 1 16 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.034 0.382 26045 3687 1 16 . 1 1 22 22 ARG H H 22 7.859 7.859 7.663 0.196 26045 3688 1 16 . 1 1 23 23 LEU N N 23 120.539 120.539 119.711 0.828 26045 3689 1 16 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.007 0.041 26045 3690 1 16 . 1 1 23 23 LEU C C 23 178.890 178.890 178.730 0.160 26045 3691 1 16 . 1 1 23 23 LEU CA C 23 58.018 58.018 58.149 -0.131 26045 3692 1 16 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.667 -0.239 26045 3693 1 16 . 1 1 23 23 LEU H H 23 8.332 8.332 8.204 0.128 26045 3694 1 16 . 1 1 24 24 GLU N N 24 119.377 119.377 118.276 1.101 26045 3695 1 16 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.995 -0.137 26045 3696 1 16 . 1 1 24 24 GLU C C 24 178.762 178.762 178.647 0.115 26045 3697 1 16 . 1 1 24 24 GLU CA C 24 59.962 59.962 58.845 1.117 26045 3698 1 16 . 1 1 24 24 GLU H H 24 8.296 8.296 8.668 -0.372 26045 3699 1 16 . 1 1 25 25 LYS N N 25 118.971 118.971 120.293 -1.322 26045 3700 1 16 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.119 -0.065 26045 3701 1 16 . 1 1 25 25 LYS C C 25 178.402 178.402 178.860 -0.458 26045 3702 1 16 . 1 1 25 25 LYS CA C 25 59.370 59.370 58.646 0.724 26045 3703 1 16 . 1 1 25 25 LYS CB C 25 32.595 32.595 31.929 0.666 26045 3704 1 16 . 1 1 25 25 LYS H H 25 7.637 7.637 7.350 0.287 26045 3705 1 16 . 1 1 26 26 MET N N 26 117.688 117.688 117.787 -0.099 26045 3706 1 16 . 1 1 26 26 MET HA H 26 4.199 4.199 4.398 -0.199 26045 3707 1 16 . 1 1 26 26 MET C C 26 178.222 178.222 178.006 0.216 26045 3708 1 16 . 1 1 26 26 MET CA C 26 58.414 58.414 57.631 0.783 26045 3709 1 16 . 1 1 26 26 MET CB C 26 33.182 33.182 31.834 1.349 26045 3710 1 16 . 1 1 26 26 MET H H 26 7.953 7.953 7.792 0.161 26045 3711 1 16 . 1 1 27 27 CYS N N 27 117.669 117.669 117.637 0.032 26045 3712 1 16 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.261 0.031 26045 3713 1 16 . 1 1 27 27 CYS C C 27 176.218 176.218 176.793 -0.575 26045 3714 1 16 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.479 -1.202 26045 3715 1 16 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.507 13.795 26045 3716 1 16 . 1 1 27 27 CYS H H 27 8.264 8.264 8.048 0.216 26045 3717 1 16 . 1 1 28 28 LYS N N 28 120.893 120.893 118.727 2.166 26045 3718 1 16 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.287 -0.103 26045 3719 1 16 . 1 1 28 28 LYS C C 28 177.862 177.862 178.078 -0.216 26045 3720 1 16 . 1 1 28 28 LYS CA C 28 58.415 58.415 57.440 0.976 26045 3721 1 16 . 1 1 28 28 LYS CB C 28 33.096 33.096 33.359 -0.264 26045 3722 1 16 . 1 1 28 28 LYS H H 28 7.983 7.983 7.915 0.068 26045 3723 1 16 . 1 1 29 29 GLU N N 29 117.203 117.203 121.644 -4.441 26045 3724 1 16 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.321 0.043 26045 3725 1 16 . 1 1 29 29 GLU C C 29 176.937 176.937 176.054 0.883 26045 3726 1 16 . 1 1 29 29 GLU CA C 29 56.783 56.783 55.672 1.111 26045 3727 1 16 . 1 1 29 29 GLU CB C 29 30.340 30.340 28.914 1.426 26045 3728 1 16 . 1 1 29 29 GLU H H 29 8.110 8.110 7.983 0.127 26045 3729 1 16 . 1 1 30 30 GLY N N 30 109.260 109.260 112.175 -2.915 26045 3730 1 16 . 1 1 30 30 GLY C C 30 174.162 174.162 173.138 1.024 26045 3731 1 16 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.373 0.123 26045 3732 1 16 . 1 1 30 30 GLY H H 30 7.990 7.990 7.856 0.134 26045 3733 1 16 . 1 1 31 31 THR N N 31 113.648 113.648 113.665 -0.017 26045 3734 1 16 . 1 1 31 31 THR HA H 31 4.594 4.594 4.761 -0.167 26045 3735 1 16 . 1 1 31 31 THR C C 31 175.035 175.035 175.054 -0.019 26045 3736 1 16 . 1 1 31 31 THR CA C 31 60.974 60.974 60.981 -0.007 26045 3737 1 16 . 1 1 31 31 THR CB C 31 70.524 70.524 72.092 -1.568 26045 3738 1 16 . 1 1 31 31 THR H H 31 8.257 8.257 8.168 0.089 26045 3739 1 16 . 1 1 32 32 SER N N 32 118.066 118.066 117.676 0.390 26045 3740 1 16 . 1 1 32 32 SER HA H 32 4.360 4.360 4.130 0.230 26045 3741 1 16 . 1 1 32 32 SER C C 32 175.472 175.472 175.713 -0.241 26045 3742 1 16 . 1 1 32 32 SER CA C 32 59.857 59.857 61.668 -1.811 26045 3743 1 16 . 1 1 32 32 SER CB C 32 63.485 63.485 63.259 0.226 26045 3744 1 16 . 1 1 32 32 SER H H 32 8.633 8.633 8.844 -0.211 26045 3745 1 16 . 1 1 33 33 GLU N N 33 122.577 122.577 122.316 0.261 26045 3746 1 16 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.209 0.000 26045 3747 1 16 . 1 1 33 33 GLU C C 33 177.528 177.528 178.280 -0.752 26045 3748 1 16 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.450 -1.044 26045 3749 1 16 . 1 1 33 33 GLU CB C 33 29.788 29.788 28.802 0.986 26045 3750 1 16 . 1 1 33 33 GLU H H 33 8.532 8.532 8.400 0.132 26045 3751 1 16 . 1 1 34 34 ASP N N 34 120.121 120.121 119.800 0.321 26045 3752 1 16 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.381 0.106 26045 3753 1 16 . 1 1 34 34 ASP C C 34 177.605 177.605 178.278 -0.673 26045 3754 1 16 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.032 -1.206 26045 3755 1 16 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.421 0.558 26045 3756 1 16 . 1 1 34 34 ASP H H 34 8.122 8.122 7.860 0.262 26045 3757 1 16 . 1 1 35 35 ALA N N 35 123.997 123.997 122.710 1.287 26045 3758 1 16 . 1 1 35 35 ALA HA H 35 4.009 4.009 3.932 0.077 26045 3759 1 16 . 1 1 35 35 ALA C C 35 178.890 178.890 179.126 -0.236 26045 3760 1 16 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.333 -0.143 26045 3761 1 16 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.518 0.301 26045 3762 1 16 . 1 1 35 35 ALA H H 35 8.107 8.107 7.535 0.572 26045 3763 1 16 . 1 1 36 36 GLU N N 36 117.393 117.393 117.509 -0.116 26045 3764 1 16 . 1 1 36 36 GLU HA H 36 3.917 3.917 4.046 -0.129 26045 3765 1 16 . 1 1 36 36 GLU C C 36 178.505 178.505 179.094 -0.589 26045 3766 1 16 . 1 1 36 36 GLU CA C 36 59.356 59.356 59.072 0.284 26045 3767 1 16 . 1 1 36 36 GLU H H 36 8.353 8.353 7.898 0.455 26045 3768 1 16 . 1 1 37 37 ARG N N 37 118.853 118.853 119.657 -0.804 26045 3769 1 16 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.170 -0.140 26045 3770 1 16 . 1 1 37 37 ARG C C 37 178.556 178.556 179.012 -0.456 26045 3771 1 16 . 1 1 37 37 ARG CA C 37 58.705 58.705 57.951 0.754 26045 3772 1 16 . 1 1 37 37 ARG CB C 37 30.225 30.225 29.691 0.534 26045 3773 1 16 . 1 1 37 37 ARG H H 37 7.779 7.779 7.934 -0.155 26045 3774 1 16 . 1 1 38 38 MET N N 38 118.299 118.299 117.637 0.662 26045 3775 1 16 . 1 1 38 38 MET HA H 38 4.231 4.231 4.439 -0.208 26045 3776 1 16 . 1 1 38 38 MET C C 38 177.811 177.811 178.261 -0.450 26045 3777 1 16 . 1 1 38 38 MET CA C 38 57.445 57.445 56.639 0.805 26045 3778 1 16 . 1 1 38 38 MET CB C 38 32.313 32.313 31.844 0.469 26045 3779 1 16 . 1 1 38 38 MET H H 38 7.960 7.960 7.795 0.165 26045 3780 1 16 . 1 1 39 39 ALA N N 39 121.698 121.698 122.782 -1.084 26045 3781 1 16 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.089 -0.026 26045 3782 1 16 . 1 1 39 39 ALA C C 39 178.813 178.813 179.179 -0.366 26045 3783 1 16 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.134 -0.654 26045 3784 1 16 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.584 0.026 26045 3785 1 16 . 1 1 39 39 ALA H H 39 8.125 8.125 8.134 -0.009 26045 3786 1 16 . 1 1 40 40 ARG N N 40 116.657 116.657 116.779 -0.122 26045 3787 1 16 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.113 0.061 26045 3788 1 16 . 1 1 40 40 ARG C C 40 177.220 177.220 178.113 -0.893 26045 3789 1 16 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.493 -0.682 26045 3790 1 16 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.058 0.063 26045 3791 1 16 . 1 1 40 40 ARG H H 40 7.738 7.738 7.820 -0.082 26045 3792 1 16 . 1 1 41 41 ASN N N 41 116.193 116.193 116.183 0.010 26045 3793 1 16 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.664 0.070 26045 3794 1 16 . 1 1 41 41 ASN C C 41 175.369 175.369 176.057 -0.688 26045 3795 1 16 . 1 1 41 41 ASN CA C 41 53.837 53.837 54.643 -0.806 26045 3796 1 16 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.374 -0.238 26045 3797 1 16 . 1 1 41 41 ASN H H 41 7.896 7.896 8.039 -0.143 26045 3798 1 16 . 1 1 42 42 CYS N N 42 118.352 118.352 119.870 -1.518 26045 3799 1 16 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.367 0.196 26045 3800 1 16 . 1 1 42 42 CYS C C 42 174.213 174.213 174.964 -0.751 26045 3801 1 16 . 1 1 42 42 CYS CA C 42 57.045 57.045 59.994 -2.949 26045 3802 1 16 . 1 1 42 42 CYS CB C 42 41.719 41.719 28.033 13.686 26045 3803 1 16 . 1 1 42 42 CYS H H 42 7.997 7.997 7.917 0.080 26045 3804 1 16 . 1 1 43 43 GLU N N 43 122.347 122.347 122.352 -0.005 26045 3805 1 16 . 1 1 43 43 GLU HA H 43 4.397 4.397 3.875 0.522 26045 3806 1 16 . 1 1 43 43 GLU C C 43 175.369 175.369 175.552 -0.183 26045 3807 1 16 . 1 1 43 43 GLU CA C 43 56.708 56.708 57.153 -0.445 26045 3808 1 16 . 1 1 43 43 GLU H H 43 8.307 8.307 8.249 0.058 26045 3809 1 17 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.417 0.084 26045 3810 1 17 . 1 1 2 2 PRO C C 2 178.016 178.016 175.932 2.084 26045 3811 1 17 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.316 1.494 26045 3812 1 17 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.323 -0.063 26045 3813 1 17 . 1 1 3 3 CYS N N 3 117.098 117.098 114.257 2.841 26045 3814 1 17 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.800 -0.290 26045 3815 1 17 . 1 1 3 3 CYS C C 3 176.295 176.295 175.538 0.757 26045 3816 1 17 . 1 1 3 3 CYS CA C 3 57.465 57.465 57.922 -0.457 26045 3817 1 17 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.683 12.288 26045 3818 1 17 . 1 1 3 3 CYS H H 3 9.130 9.130 8.109 1.021 26045 3819 1 17 . 1 1 4 4 GLU N N 4 121.091 121.091 122.551 -1.460 26045 3820 1 17 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.989 0.085 26045 3821 1 17 . 1 1 4 4 GLU C C 4 178.196 178.196 178.207 -0.011 26045 3822 1 17 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.514 0.028 26045 3823 1 17 . 1 1 4 4 GLU H H 4 8.177 8.177 8.900 -0.723 26045 3824 1 17 . 1 1 5 5 ASP N N 5 119.768 119.768 119.056 0.712 26045 3825 1 17 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.445 0.016 26045 3826 1 17 . 1 1 5 5 ASP C C 5 178.273 178.273 178.241 0.032 26045 3827 1 17 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.240 -0.815 26045 3828 1 17 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.101 0.071 26045 3829 1 17 . 1 1 5 5 ASP H H 5 8.064 8.064 8.677 -0.613 26045 3830 1 17 . 1 1 6 6 LEU N N 6 121.053 121.053 120.447 0.606 26045 3831 1 17 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.079 -0.051 26045 3832 1 17 . 1 1 6 6 LEU C C 6 177.811 177.811 178.071 -0.260 26045 3833 1 17 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.367 0.559 26045 3834 1 17 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.989 -0.110 26045 3835 1 17 . 1 1 6 6 LEU H H 6 7.785 7.785 7.674 0.111 26045 3836 1 17 . 1 1 7 7 LYS N N 7 117.877 117.877 119.311 -1.434 26045 3837 1 17 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.895 -0.100 26045 3838 1 17 . 1 1 7 7 LYS C C 7 178.710 178.710 178.676 0.034 26045 3839 1 17 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.766 0.538 26045 3840 1 17 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.268 0.016 26045 3841 1 17 . 1 1 7 7 LYS H H 7 7.995 7.995 8.334 -0.339 26045 3842 1 17 . 1 1 8 8 GLU N N 8 117.399 117.399 117.868 -0.469 26045 3843 1 17 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.189 -0.092 26045 3844 1 17 . 1 1 8 8 GLU C C 8 178.916 178.916 179.258 -0.342 26045 3845 1 17 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.231 0.458 26045 3846 1 17 . 1 1 8 8 GLU H H 8 7.760 7.760 7.695 0.065 26045 3847 1 17 . 1 1 9 9 ARG N N 9 120.362 120.362 120.313 0.049 26045 3848 1 17 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.111 -0.053 26045 3849 1 17 . 1 1 9 9 ARG C C 9 178.967 178.967 178.996 -0.029 26045 3850 1 17 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.068 0.261 26045 3851 1 17 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.036 0.320 26045 3852 1 17 . 1 1 9 9 ARG H H 9 7.996 7.996 7.846 0.150 26045 3853 1 17 . 1 1 10 10 LEU N N 10 117.258 117.258 119.147 -1.889 26045 3854 1 17 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.036 0.050 26045 3855 1 17 . 1 1 10 10 LEU C C 10 177.566 177.566 178.214 -0.648 26045 3856 1 17 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.986 -0.864 26045 3857 1 17 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.708 -0.322 26045 3858 1 17 . 1 1 10 10 LEU H H 10 8.341 8.341 7.978 0.363 26045 3859 1 17 . 1 1 11 11 LYS N N 11 119.034 119.034 115.093 3.941 26045 3860 1 17 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.146 -0.107 26045 3861 1 17 . 1 1 11 11 LYS C C 11 178.736 178.736 178.183 0.553 26045 3862 1 17 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.146 0.989 26045 3863 1 17 . 1 1 11 11 LYS H H 11 7.707 7.707 7.473 0.234 26045 3864 1 17 . 1 1 12 12 LYS N N 12 119.013 119.013 119.065 -0.052 26045 3865 1 17 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.115 0.073 26045 3866 1 17 . 1 1 12 12 LYS C C 12 178.960 178.960 178.754 0.206 26045 3867 1 17 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.351 -0.536 26045 3868 1 17 . 1 1 12 12 LYS H H 12 7.709 7.709 7.728 -0.019 26045 3869 1 17 . 1 1 13 13 LEU N N 13 119.078 119.078 117.909 1.169 26045 3870 1 17 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.215 0.095 26045 3871 1 17 . 1 1 13 13 LEU C C 13 177.606 177.606 177.128 0.478 26045 3872 1 17 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.138 0.280 26045 3873 1 17 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.935 -0.054 26045 3874 1 17 . 1 1 13 13 LEU H H 13 7.705 7.705 7.912 -0.207 26045 3875 1 17 . 1 1 14 14 GLY N N 14 108.342 108.342 107.637 0.705 26045 3876 1 17 . 1 1 14 14 GLY C C 14 174.367 174.367 174.872 -0.505 26045 3877 1 17 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.588 0.370 26045 3878 1 17 . 1 1 14 14 GLY H H 14 8.107 8.107 7.535 0.572 26045 3879 1 17 . 1 1 15 15 MET N N 15 119.054 119.054 115.665 3.389 26045 3880 1 17 . 1 1 15 15 MET HA H 15 4.512 4.512 4.782 -0.270 26045 3881 1 17 . 1 1 15 15 MET C C 15 175.916 175.916 176.157 -0.241 26045 3882 1 17 . 1 1 15 15 MET CA C 15 55.467 55.467 55.674 -0.207 26045 3883 1 17 . 1 1 15 15 MET CB C 15 34.560 34.560 34.031 0.529 26045 3884 1 17 . 1 1 15 15 MET H H 15 7.686 7.686 7.438 0.248 26045 3885 1 17 . 1 1 16 16 SER N N 16 120.057 120.057 116.179 3.878 26045 3886 1 17 . 1 1 16 16 SER HA H 16 4.400 4.400 4.388 0.012 26045 3887 1 17 . 1 1 16 16 SER C C 16 174.742 174.742 176.093 -1.351 26045 3888 1 17 . 1 1 16 16 SER CA C 16 57.747 57.747 58.775 -1.028 26045 3889 1 17 . 1 1 16 16 SER CB C 16 64.785 64.785 63.943 0.842 26045 3890 1 17 . 1 1 16 16 SER H H 16 8.948 8.948 8.287 0.661 26045 3891 1 17 . 1 1 17 17 GLU N N 17 123.142 123.142 126.522 -3.380 26045 3892 1 17 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.866 0.125 26045 3893 1 17 . 1 1 17 17 GLU C C 17 178.556 178.556 178.041 0.515 26045 3894 1 17 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.349 -0.639 26045 3895 1 17 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.480 -0.254 26045 3896 1 17 . 1 1 17 17 GLU H H 17 9.035 9.035 8.848 0.187 26045 3897 1 17 . 1 1 18 18 GLU N N 18 118.705 118.705 119.523 -0.818 26045 3898 1 17 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.126 -0.097 26045 3899 1 17 . 1 1 18 18 GLU C C 18 179.173 179.173 178.238 0.935 26045 3900 1 17 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.259 0.662 26045 3901 1 17 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.176 -0.196 26045 3902 1 17 . 1 1 18 18 GLU H H 18 8.790 8.790 8.597 0.193 26045 3903 1 17 . 1 1 19 19 CYS N N 19 118.720 118.720 118.525 0.195 26045 3904 1 17 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.193 0.098 26045 3905 1 17 . 1 1 19 19 CYS C C 19 176.295 176.295 177.541 -1.246 26045 3906 1 17 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.266 -2.981 26045 3907 1 17 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.013 14.362 26045 3908 1 17 . 1 1 19 19 CYS H H 19 7.875 7.875 8.365 -0.490 26045 3909 1 17 . 1 1 20 20 ARG N N 20 120.027 120.027 119.279 0.748 26045 3910 1 17 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.919 -0.065 26045 3911 1 17 . 1 1 20 20 ARG C C 20 178.633 178.633 179.117 -0.484 26045 3912 1 17 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.960 0.668 26045 3913 1 17 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.739 0.112 26045 3914 1 17 . 1 1 20 20 ARG H H 20 8.507 8.507 7.919 0.588 26045 3915 1 17 . 1 1 21 21 GLN N N 21 117.558 117.558 117.632 -0.074 26045 3916 1 17 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.086 -0.062 26045 3917 1 17 . 1 1 21 21 GLN C C 21 179.122 179.122 178.930 0.192 26045 3918 1 17 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.601 0.443 26045 3919 1 17 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.474 -0.194 26045 3920 1 17 . 1 1 21 21 GLN H H 21 8.379 8.379 7.777 0.602 26045 3921 1 17 . 1 1 22 22 ARG N N 22 120.355 120.355 120.640 -0.285 26045 3922 1 17 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.095 -0.036 26045 3923 1 17 . 1 1 22 22 ARG C C 22 178.967 178.967 178.909 0.058 26045 3924 1 17 . 1 1 22 22 ARG CA C 22 59.416 59.416 58.825 0.591 26045 3925 1 17 . 1 1 22 22 ARG H H 22 7.859 7.859 7.840 0.019 26045 3926 1 17 . 1 1 23 23 LEU N N 23 120.539 120.539 119.796 0.743 26045 3927 1 17 . 1 1 23 23 LEU HA H 23 4.048 4.048 3.997 0.051 26045 3928 1 17 . 1 1 23 23 LEU C C 23 178.890 178.890 178.788 0.102 26045 3929 1 17 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.688 0.330 26045 3930 1 17 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.337 0.091 26045 3931 1 17 . 1 1 23 23 LEU H H 23 8.332 8.332 8.253 0.079 26045 3932 1 17 . 1 1 24 24 GLU N N 24 119.377 119.377 119.334 0.043 26045 3933 1 17 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.922 -0.064 26045 3934 1 17 . 1 1 24 24 GLU C C 24 178.762 178.762 178.670 0.092 26045 3935 1 17 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.972 -0.010 26045 3936 1 17 . 1 1 24 24 GLU H H 24 8.296 8.296 8.411 -0.115 26045 3937 1 17 . 1 1 25 25 LYS N N 25 118.971 118.971 119.649 -0.678 26045 3938 1 17 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.091 -0.037 26045 3939 1 17 . 1 1 25 25 LYS C C 25 178.402 178.402 179.109 -0.707 26045 3940 1 17 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.374 -0.004 26045 3941 1 17 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.301 0.294 26045 3942 1 17 . 1 1 25 25 LYS H H 25 7.637 7.637 7.393 0.244 26045 3943 1 17 . 1 1 26 26 MET N N 26 117.688 117.688 117.997 -0.309 26045 3944 1 17 . 1 1 26 26 MET HA H 26 4.199 4.199 4.309 -0.110 26045 3945 1 17 . 1 1 26 26 MET C C 26 178.222 178.222 178.150 0.072 26045 3946 1 17 . 1 1 26 26 MET CA C 26 58.414 58.414 57.250 1.164 26045 3947 1 17 . 1 1 26 26 MET CB C 26 33.182 33.182 31.544 1.638 26045 3948 1 17 . 1 1 26 26 MET H H 26 7.953 7.953 8.084 -0.131 26045 3949 1 17 . 1 1 27 27 CYS N N 27 117.669 117.669 119.506 -1.837 26045 3950 1 17 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.249 0.043 26045 3951 1 17 . 1 1 27 27 CYS C C 27 176.218 176.218 176.942 -0.724 26045 3952 1 17 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.898 -2.621 26045 3953 1 17 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.606 13.696 26045 3954 1 17 . 1 1 27 27 CYS H H 27 8.264 8.264 7.905 0.359 26045 3955 1 17 . 1 1 28 28 LYS N N 28 120.893 120.893 118.470 2.423 26045 3956 1 17 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.185 -0.001 26045 3957 1 17 . 1 1 28 28 LYS C C 28 177.862 177.862 178.394 -0.532 26045 3958 1 17 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.359 0.056 26045 3959 1 17 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.918 0.178 26045 3960 1 17 . 1 1 28 28 LYS H H 28 7.983 7.983 8.101 -0.118 26045 3961 1 17 . 1 1 29 29 GLU N N 29 117.203 117.203 117.094 0.109 26045 3962 1 17 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.422 -0.058 26045 3963 1 17 . 1 1 29 29 GLU C C 29 176.937 176.937 175.807 1.130 26045 3964 1 17 . 1 1 29 29 GLU CA C 29 56.783 56.783 55.855 0.928 26045 3965 1 17 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.894 0.446 26045 3966 1 17 . 1 1 29 29 GLU H H 29 8.110 8.110 8.042 0.068 26045 3967 1 17 . 1 1 30 30 GLY N N 30 109.260 109.260 108.951 0.309 26045 3968 1 17 . 1 1 30 30 GLY C C 30 174.162 174.162 173.261 0.901 26045 3969 1 17 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.670 -0.174 26045 3970 1 17 . 1 1 30 30 GLY H H 30 7.990 7.990 7.489 0.501 26045 3971 1 17 . 1 1 31 31 THR N N 31 113.648 113.648 113.717 -0.069 26045 3972 1 17 . 1 1 31 31 THR HA H 31 4.594 4.594 4.900 -0.306 26045 3973 1 17 . 1 1 31 31 THR C C 31 175.035 175.035 175.185 -0.150 26045 3974 1 17 . 1 1 31 31 THR CA C 31 60.974 60.974 60.185 0.788 26045 3975 1 17 . 1 1 31 31 THR CB C 31 70.524 70.524 72.153 -1.629 26045 3976 1 17 . 1 1 31 31 THR H H 31 8.257 8.257 7.944 0.313 26045 3977 1 17 . 1 1 32 32 SER N N 32 118.066 118.066 116.852 1.214 26045 3978 1 17 . 1 1 32 32 SER HA H 32 4.360 4.360 4.085 0.275 26045 3979 1 17 . 1 1 32 32 SER C C 32 175.472 175.472 176.184 -0.712 26045 3980 1 17 . 1 1 32 32 SER CA C 32 59.857 59.857 61.340 -1.483 26045 3981 1 17 . 1 1 32 32 SER CB C 32 63.485 63.485 63.181 0.304 26045 3982 1 17 . 1 1 32 32 SER H H 32 8.633 8.633 8.871 -0.238 26045 3983 1 17 . 1 1 33 33 GLU N N 33 122.577 122.577 122.856 -0.279 26045 3984 1 17 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.014 0.195 26045 3985 1 17 . 1 1 33 33 GLU C C 33 177.528 177.528 178.452 -0.924 26045 3986 1 17 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.283 -0.877 26045 3987 1 17 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.029 0.759 26045 3988 1 17 . 1 1 33 33 GLU H H 33 8.532 8.532 8.327 0.205 26045 3989 1 17 . 1 1 34 34 ASP N N 34 120.121 120.121 119.618 0.503 26045 3990 1 17 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.439 0.048 26045 3991 1 17 . 1 1 34 34 ASP C C 34 177.605 177.605 178.242 -0.637 26045 3992 1 17 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.983 -1.157 26045 3993 1 17 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.408 0.571 26045 3994 1 17 . 1 1 34 34 ASP H H 34 8.122 8.122 7.681 0.441 26045 3995 1 17 . 1 1 35 35 ALA N N 35 123.997 123.997 122.218 1.779 26045 3996 1 17 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.101 -0.092 26045 3997 1 17 . 1 1 35 35 ALA C C 35 178.890 178.890 179.524 -0.634 26045 3998 1 17 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.149 0.041 26045 3999 1 17 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.520 0.299 26045 4000 1 17 . 1 1 35 35 ALA H H 35 8.107 8.107 7.526 0.581 26045 4001 1 17 . 1 1 36 36 GLU N N 36 117.393 117.393 117.716 -0.323 26045 4002 1 17 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.935 -0.018 26045 4003 1 17 . 1 1 36 36 GLU C C 36 178.505 178.505 178.421 0.084 26045 4004 1 17 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.736 0.620 26045 4005 1 17 . 1 1 36 36 GLU H H 36 8.353 8.353 8.362 -0.009 26045 4006 1 17 . 1 1 37 37 ARG N N 37 118.853 118.853 120.628 -1.775 26045 4007 1 17 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.118 -0.088 26045 4008 1 17 . 1 1 37 37 ARG C C 37 178.556 178.556 178.080 0.476 26045 4009 1 17 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.943 -0.238 26045 4010 1 17 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.194 0.031 26045 4011 1 17 . 1 1 37 37 ARG H H 37 7.779 7.779 7.556 0.223 26045 4012 1 17 . 1 1 38 38 MET N N 38 118.299 118.299 115.590 2.709 26045 4013 1 17 . 1 1 38 38 MET HA H 38 4.231 4.231 4.462 -0.231 26045 4014 1 17 . 1 1 38 38 MET C C 38 177.811 177.811 177.932 -0.121 26045 4015 1 17 . 1 1 38 38 MET CA C 38 57.445 57.445 56.069 1.377 26045 4016 1 17 . 1 1 38 38 MET CB C 38 32.313 32.313 32.351 -0.038 26045 4017 1 17 . 1 1 38 38 MET H H 38 7.960 7.960 7.776 0.184 26045 4018 1 17 . 1 1 39 39 ALA N N 39 121.698 121.698 122.986 -1.288 26045 4019 1 17 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.096 -0.033 26045 4020 1 17 . 1 1 39 39 ALA C C 39 178.813 178.813 179.107 -0.294 26045 4021 1 17 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.065 -0.585 26045 4022 1 17 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.618 -0.008 26045 4023 1 17 . 1 1 39 39 ALA H H 39 8.125 8.125 7.933 0.192 26045 4024 1 17 . 1 1 40 40 ARG N N 40 116.657 116.657 117.059 -0.402 26045 4025 1 17 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.138 0.036 26045 4026 1 17 . 1 1 40 40 ARG C C 40 177.220 177.220 176.727 0.493 26045 4027 1 17 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.536 -0.725 26045 4028 1 17 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.881 0.240 26045 4029 1 17 . 1 1 40 40 ARG H H 40 7.738 7.738 8.003 -0.265 26045 4030 1 17 . 1 1 41 41 ASN N N 41 116.193 116.193 115.550 0.643 26045 4031 1 17 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.754 -0.020 26045 4032 1 17 . 1 1 41 41 ASN C C 41 175.369 175.369 175.453 -0.084 26045 4033 1 17 . 1 1 41 41 ASN CA C 41 53.837 53.837 53.685 0.152 26045 4034 1 17 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.727 0.409 26045 4035 1 17 . 1 1 41 41 ASN H H 41 7.896 7.896 7.721 0.175 26045 4036 1 17 . 1 1 42 42 CYS N N 42 118.352 118.352 119.214 -0.862 26045 4037 1 17 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.413 0.150 26045 4038 1 17 . 1 1 42 42 CYS C C 42 174.213 174.213 175.737 -1.524 26045 4039 1 17 . 1 1 42 42 CYS CA C 42 57.045 57.045 59.613 -2.568 26045 4040 1 17 . 1 1 42 42 CYS CB C 42 41.719 41.719 28.360 13.359 26045 4041 1 17 . 1 1 42 42 CYS H H 42 7.997 7.997 7.834 0.163 26045 4042 1 17 . 1 1 43 43 GLU N N 43 122.347 122.347 119.776 2.571 26045 4043 1 17 . 1 1 43 43 GLU HA H 43 4.397 4.397 3.799 0.598 26045 4044 1 17 . 1 1 43 43 GLU C C 43 175.369 175.369 175.400 -0.031 26045 4045 1 17 . 1 1 43 43 GLU CA C 43 56.708 56.708 58.714 -2.006 26045 4046 1 17 . 1 1 43 43 GLU H H 43 8.307 8.307 8.317 -0.010 26045 4047 1 18 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.464 0.037 26045 4048 1 18 . 1 1 2 2 PRO C C 2 178.016 178.016 177.285 0.731 26045 4049 1 18 . 1 1 2 2 PRO CA C 2 64.811 64.811 65.080 -0.269 26045 4050 1 18 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.146 0.114 26045 4051 1 18 . 1 1 3 3 CYS N N 3 117.098 117.098 115.802 1.296 26045 4052 1 18 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.774 -0.264 26045 4053 1 18 . 1 1 3 3 CYS C C 3 176.295 176.295 177.099 -0.804 26045 4054 1 18 . 1 1 3 3 CYS CA C 3 57.465 57.465 59.147 -1.682 26045 4055 1 18 . 1 1 3 3 CYS CB C 3 39.971 39.971 27.409 12.562 26045 4056 1 18 . 1 1 3 3 CYS H H 3 9.130 9.130 8.244 0.886 26045 4057 1 18 . 1 1 4 4 GLU N N 4 121.091 121.091 122.089 -0.998 26045 4058 1 18 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.002 0.072 26045 4059 1 18 . 1 1 4 4 GLU C C 4 178.196 178.196 178.280 -0.084 26045 4060 1 18 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.870 -0.328 26045 4061 1 18 . 1 1 4 4 GLU H H 4 8.177 8.177 8.719 -0.542 26045 4062 1 18 . 1 1 5 5 ASP N N 5 119.768 119.768 119.616 0.152 26045 4063 1 18 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.377 0.084 26045 4064 1 18 . 1 1 5 5 ASP C C 5 178.273 178.273 178.249 0.024 26045 4065 1 18 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.586 -1.161 26045 4066 1 18 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.325 -0.153 26045 4067 1 18 . 1 1 5 5 ASP H H 5 8.064 8.064 7.944 0.120 26045 4068 1 18 . 1 1 6 6 LEU N N 6 121.053 121.053 119.711 1.342 26045 4069 1 18 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.155 -0.127 26045 4070 1 18 . 1 1 6 6 LEU C C 6 177.811 177.811 178.159 -0.348 26045 4071 1 18 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.220 0.706 26045 4072 1 18 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.022 -0.143 26045 4073 1 18 . 1 1 6 6 LEU H H 6 7.785 7.785 7.688 0.097 26045 4074 1 18 . 1 1 7 7 LYS N N 7 117.877 117.877 120.415 -2.538 26045 4075 1 18 . 1 1 7 7 LYS HA H 7 3.795 3.795 4.019 -0.224 26045 4076 1 18 . 1 1 7 7 LYS C C 7 178.710 178.710 178.773 -0.063 26045 4077 1 18 . 1 1 7 7 LYS CA C 7 60.304 60.304 58.780 1.524 26045 4078 1 18 . 1 1 7 7 LYS CB C 7 32.284 32.284 31.687 0.597 26045 4079 1 18 . 1 1 7 7 LYS H H 7 7.995 7.995 7.999 -0.004 26045 4080 1 18 . 1 1 8 8 GLU N N 8 117.399 117.399 118.373 -0.974 26045 4081 1 18 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.096 0.001 26045 4082 1 18 . 1 1 8 8 GLU C C 8 178.916 178.916 179.407 -0.491 26045 4083 1 18 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.835 -0.146 26045 4084 1 18 . 1 1 8 8 GLU H H 8 7.760 7.760 8.042 -0.282 26045 4085 1 18 . 1 1 9 9 ARG N N 9 120.362 120.362 119.891 0.471 26045 4086 1 18 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.124 -0.066 26045 4087 1 18 . 1 1 9 9 ARG C C 9 178.967 178.967 179.135 -0.168 26045 4088 1 18 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.029 0.300 26045 4089 1 18 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.127 0.229 26045 4090 1 18 . 1 1 9 9 ARG H H 9 7.996 7.996 7.577 0.419 26045 4091 1 18 . 1 1 10 10 LEU N N 10 117.258 117.258 120.147 -2.889 26045 4092 1 18 . 1 1 10 10 LEU HA H 10 4.086 4.086 3.960 0.126 26045 4093 1 18 . 1 1 10 10 LEU C C 10 177.566 177.566 178.377 -0.811 26045 4094 1 18 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.849 -0.727 26045 4095 1 18 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.670 -0.284 26045 4096 1 18 . 1 1 10 10 LEU H H 10 8.341 8.341 7.866 0.475 26045 4097 1 18 . 1 1 11 11 LYS N N 11 119.034 119.034 117.473 1.561 26045 4098 1 18 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.040 -0.001 26045 4099 1 18 . 1 1 11 11 LYS C C 11 178.736 178.736 178.500 0.236 26045 4100 1 18 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.039 0.095 26045 4101 1 18 . 1 1 11 11 LYS H H 11 7.707 7.707 7.911 -0.204 26045 4102 1 18 . 1 1 12 12 LYS N N 12 119.013 119.013 117.680 1.333 26045 4103 1 18 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.149 0.039 26045 4104 1 18 . 1 1 12 12 LYS C C 12 178.960 178.960 179.053 -0.093 26045 4105 1 18 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.055 -0.240 26045 4106 1 18 . 1 1 12 12 LYS H H 12 7.709 7.709 7.827 -0.118 26045 4107 1 18 . 1 1 13 13 LEU N N 13 119.078 119.078 118.474 0.604 26045 4108 1 18 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.237 0.073 26045 4109 1 18 . 1 1 13 13 LEU C C 13 177.606 177.606 177.105 0.501 26045 4110 1 18 . 1 1 13 13 LEU CA C 13 55.418 55.418 54.824 0.594 26045 4111 1 18 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.876 0.005 26045 4112 1 18 . 1 1 13 13 LEU H H 13 7.705 7.705 7.602 0.103 26045 4113 1 18 . 1 1 14 14 GLY N N 14 108.342 108.342 108.722 -0.380 26045 4114 1 18 . 1 1 14 14 GLY C C 14 174.367 174.367 174.729 -0.362 26045 4115 1 18 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.677 0.281 26045 4116 1 18 . 1 1 14 14 GLY H H 14 8.107 8.107 7.622 0.485 26045 4117 1 18 . 1 1 15 15 MET N N 15 119.054 119.054 118.366 0.688 26045 4118 1 18 . 1 1 15 15 MET HA H 15 4.512 4.512 4.697 -0.185 26045 4119 1 18 . 1 1 15 15 MET C C 15 175.916 175.916 175.853 0.063 26045 4120 1 18 . 1 1 15 15 MET CA C 15 55.467 55.467 55.072 0.396 26045 4121 1 18 . 1 1 15 15 MET CB C 15 34.560 34.560 34.203 0.357 26045 4122 1 18 . 1 1 15 15 MET H H 15 7.686 7.686 7.625 0.061 26045 4123 1 18 . 1 1 16 16 SER N N 16 120.057 120.057 116.467 3.590 26045 4124 1 18 . 1 1 16 16 SER HA H 16 4.400 4.400 4.545 -0.145 26045 4125 1 18 . 1 1 16 16 SER C C 16 174.742 174.742 176.033 -1.291 26045 4126 1 18 . 1 1 16 16 SER CA C 16 57.747 57.747 58.068 -0.321 26045 4127 1 18 . 1 1 16 16 SER CB C 16 64.785 64.785 64.104 0.681 26045 4128 1 18 . 1 1 16 16 SER H H 16 8.948 8.948 8.372 0.576 26045 4129 1 18 . 1 1 17 17 GLU N N 17 123.142 123.142 124.980 -1.838 26045 4130 1 18 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.889 0.102 26045 4131 1 18 . 1 1 17 17 GLU C C 17 178.556 178.556 178.218 0.338 26045 4132 1 18 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.091 -0.381 26045 4133 1 18 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.546 -0.320 26045 4134 1 18 . 1 1 17 17 GLU H H 17 9.035 9.035 8.860 0.175 26045 4135 1 18 . 1 1 18 18 GLU N N 18 118.705 118.705 119.687 -0.982 26045 4136 1 18 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.103 -0.074 26045 4137 1 18 . 1 1 18 18 GLU C C 18 179.173 179.173 178.202 0.971 26045 4138 1 18 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.318 0.603 26045 4139 1 18 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.185 -0.205 26045 4140 1 18 . 1 1 18 18 GLU H H 18 8.790 8.790 8.623 0.167 26045 4141 1 18 . 1 1 19 19 CYS N N 19 118.720 118.720 118.176 0.544 26045 4142 1 18 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.213 0.078 26045 4143 1 18 . 1 1 19 19 CYS C C 19 176.295 176.295 177.605 -1.310 26045 4144 1 18 . 1 1 19 19 CYS CA C 19 59.285 59.285 61.824 -2.539 26045 4145 1 18 . 1 1 19 19 CYS CB C 19 40.375 40.375 25.928 14.447 26045 4146 1 18 . 1 1 19 19 CYS H H 19 7.875 7.875 8.384 -0.509 26045 4147 1 18 . 1 1 20 20 ARG N N 20 120.027 120.027 119.639 0.388 26045 4148 1 18 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.893 -0.039 26045 4149 1 18 . 1 1 20 20 ARG C C 20 178.633 178.633 179.026 -0.393 26045 4150 1 18 . 1 1 20 20 ARG CA C 20 60.628 60.628 60.029 0.599 26045 4151 1 18 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.736 0.115 26045 4152 1 18 . 1 1 20 20 ARG H H 20 8.507 8.507 7.871 0.636 26045 4153 1 18 . 1 1 21 21 GLN N N 21 117.558 117.558 117.966 -0.408 26045 4154 1 18 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.046 -0.022 26045 4155 1 18 . 1 1 21 21 GLN C C 21 179.122 179.122 178.964 0.158 26045 4156 1 18 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.814 0.230 26045 4157 1 18 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.354 -0.073 26045 4158 1 18 . 1 1 21 21 GLN H H 21 8.379 8.379 7.804 0.575 26045 4159 1 18 . 1 1 22 22 ARG N N 22 120.355 120.355 120.102 0.253 26045 4160 1 18 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.165 -0.106 26045 4161 1 18 . 1 1 22 22 ARG C C 22 178.967 178.967 178.813 0.154 26045 4162 1 18 . 1 1 22 22 ARG CA C 22 59.416 59.416 58.405 1.011 26045 4163 1 18 . 1 1 22 22 ARG H H 22 7.859 7.859 7.663 0.196 26045 4164 1 18 . 1 1 23 23 LEU N N 23 120.539 120.539 120.133 0.406 26045 4165 1 18 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.032 0.016 26045 4166 1 18 . 1 1 23 23 LEU C C 23 178.890 178.890 178.634 0.256 26045 4167 1 18 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.641 0.377 26045 4168 1 18 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.228 0.200 26045 4169 1 18 . 1 1 23 23 LEU H H 23 8.332 8.332 8.254 0.078 26045 4170 1 18 . 1 1 24 24 GLU N N 24 119.377 119.377 119.703 -0.326 26045 4171 1 18 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.934 -0.076 26045 4172 1 18 . 1 1 24 24 GLU C C 24 178.762 178.762 178.741 0.021 26045 4173 1 18 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.789 0.173 26045 4174 1 18 . 1 1 24 24 GLU H H 24 8.296 8.296 8.597 -0.301 26045 4175 1 18 . 1 1 25 25 LYS N N 25 118.971 118.971 117.596 1.375 26045 4176 1 18 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.191 -0.137 26045 4177 1 18 . 1 1 25 25 LYS C C 25 178.402 178.402 179.290 -0.888 26045 4178 1 18 . 1 1 25 25 LYS CA C 25 59.370 59.370 58.791 0.579 26045 4179 1 18 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.139 0.456 26045 4180 1 18 . 1 1 25 25 LYS H H 25 7.637 7.637 7.413 0.224 26045 4181 1 18 . 1 1 26 26 MET N N 26 117.688 117.688 117.645 0.043 26045 4182 1 18 . 1 1 26 26 MET HA H 26 4.199 4.199 4.303 -0.104 26045 4183 1 18 . 1 1 26 26 MET C C 26 178.222 178.222 178.144 0.078 26045 4184 1 18 . 1 1 26 26 MET CA C 26 58.414 58.414 57.346 1.068 26045 4185 1 18 . 1 1 26 26 MET CB C 26 33.182 33.182 31.492 1.690 26045 4186 1 18 . 1 1 26 26 MET H H 26 7.953 7.953 8.124 -0.171 26045 4187 1 18 . 1 1 27 27 CYS N N 27 117.669 117.669 118.368 -0.699 26045 4188 1 18 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.218 0.074 26045 4189 1 18 . 1 1 27 27 CYS C C 27 176.218 176.218 176.686 -0.468 26045 4190 1 18 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.003 -1.726 26045 4191 1 18 . 1 1 27 27 CYS CB C 27 40.302 40.302 27.241 13.061 26045 4192 1 18 . 1 1 27 27 CYS H H 27 8.264 8.264 7.796 0.468 26045 4193 1 18 . 1 1 28 28 LYS N N 28 120.893 120.893 118.291 2.602 26045 4194 1 18 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.185 -0.001 26045 4195 1 18 . 1 1 28 28 LYS C C 28 177.862 177.862 178.173 -0.311 26045 4196 1 18 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.456 -0.041 26045 4197 1 18 . 1 1 28 28 LYS CB C 28 33.096 33.096 33.178 -0.082 26045 4198 1 18 . 1 1 28 28 LYS H H 28 7.983 7.983 7.950 0.033 26045 4199 1 18 . 1 1 29 29 GLU N N 29 117.203 117.203 118.427 -1.224 26045 4200 1 18 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.376 -0.012 26045 4201 1 18 . 1 1 29 29 GLU C C 29 176.937 176.937 176.315 0.622 26045 4202 1 18 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.445 0.338 26045 4203 1 18 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.902 0.438 26045 4204 1 18 . 1 1 29 29 GLU H H 29 8.110 8.110 8.040 0.070 26045 4205 1 18 . 1 1 30 30 GLY N N 30 109.260 109.260 109.919 -0.659 26045 4206 1 18 . 1 1 30 30 GLY C C 30 174.162 174.162 173.052 1.110 26045 4207 1 18 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.191 1.305 26045 4208 1 18 . 1 1 30 30 GLY H H 30 7.990 7.990 7.540 0.450 26045 4209 1 18 . 1 1 31 31 THR N N 31 113.648 113.648 112.707 0.941 26045 4210 1 18 . 1 1 31 31 THR HA H 31 4.594 4.594 4.553 0.041 26045 4211 1 18 . 1 1 31 31 THR C C 31 175.035 175.035 175.263 -0.228 26045 4212 1 18 . 1 1 31 31 THR CA C 31 60.974 60.974 60.955 0.019 26045 4213 1 18 . 1 1 31 31 THR CB C 31 70.524 70.524 70.201 0.323 26045 4214 1 18 . 1 1 31 31 THR H H 31 8.257 8.257 8.175 0.082 26045 4215 1 18 . 1 1 32 32 SER N N 32 118.066 118.066 121.033 -2.967 26045 4216 1 18 . 1 1 32 32 SER HA H 32 4.360 4.360 4.053 0.307 26045 4217 1 18 . 1 1 32 32 SER C C 32 175.472 175.472 175.848 -0.376 26045 4218 1 18 . 1 1 32 32 SER CA C 32 59.857 59.857 62.045 -2.188 26045 4219 1 18 . 1 1 32 32 SER CB C 32 63.485 63.485 63.279 0.206 26045 4220 1 18 . 1 1 32 32 SER H H 32 8.633 8.633 8.846 -0.213 26045 4221 1 18 . 1 1 33 33 GLU N N 33 122.577 122.577 120.838 1.739 26045 4222 1 18 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.415 -0.206 26045 4223 1 18 . 1 1 33 33 GLU C C 33 177.528 177.528 177.775 -0.247 26045 4224 1 18 . 1 1 33 33 GLU CA C 33 58.406 58.406 58.699 -0.293 26045 4225 1 18 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.283 0.505 26045 4226 1 18 . 1 1 33 33 GLU H H 33 8.532 8.532 8.522 0.010 26045 4227 1 18 . 1 1 34 34 ASP N N 34 120.121 120.121 120.226 -0.105 26045 4228 1 18 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.572 -0.085 26045 4229 1 18 . 1 1 34 34 ASP C C 34 177.605 177.605 177.720 -0.115 26045 4230 1 18 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.117 -1.291 26045 4231 1 18 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.842 0.137 26045 4232 1 18 . 1 1 34 34 ASP H H 34 8.122 8.122 7.648 0.474 26045 4233 1 18 . 1 1 35 35 ALA N N 35 123.997 123.997 122.512 1.485 26045 4234 1 18 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.073 -0.064 26045 4235 1 18 . 1 1 35 35 ALA C C 35 178.890 178.890 179.274 -0.384 26045 4236 1 18 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.215 -0.025 26045 4237 1 18 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.411 0.408 26045 4238 1 18 . 1 1 35 35 ALA H H 35 8.107 8.107 7.791 0.316 26045 4239 1 18 . 1 1 36 36 GLU N N 36 117.393 117.393 117.282 0.111 26045 4240 1 18 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.854 0.063 26045 4241 1 18 . 1 1 36 36 GLU C C 36 178.505 178.505 178.520 -0.015 26045 4242 1 18 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.983 0.373 26045 4243 1 18 . 1 1 36 36 GLU H H 36 8.353 8.353 8.319 0.034 26045 4244 1 18 . 1 1 37 37 ARG N N 37 118.853 118.853 120.315 -1.462 26045 4245 1 18 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.137 -0.107 26045 4246 1 18 . 1 1 37 37 ARG C C 37 178.556 178.556 178.583 -0.027 26045 4247 1 18 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.870 -0.165 26045 4248 1 18 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.157 0.068 26045 4249 1 18 . 1 1 37 37 ARG H H 37 7.779 7.779 7.248 0.531 26045 4250 1 18 . 1 1 38 38 MET N N 38 118.299 118.299 117.252 1.047 26045 4251 1 18 . 1 1 38 38 MET HA H 38 4.231 4.231 4.265 -0.034 26045 4252 1 18 . 1 1 38 38 MET C C 38 177.811 177.811 178.466 -0.655 26045 4253 1 18 . 1 1 38 38 MET CA C 38 57.445 57.445 56.373 1.072 26045 4254 1 18 . 1 1 38 38 MET CB C 38 32.313 32.313 31.120 1.193 26045 4255 1 18 . 1 1 38 38 MET H H 38 7.960 7.960 7.967 -0.007 26045 4256 1 18 . 1 1 39 39 ALA N N 39 121.698 121.698 121.785 -0.087 26045 4257 1 18 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.066 -0.003 26045 4258 1 18 . 1 1 39 39 ALA C C 39 178.813 178.813 179.604 -0.791 26045 4259 1 18 . 1 1 39 39 ALA CA C 39 54.480 54.480 55.010 -0.530 26045 4260 1 18 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.415 0.195 26045 4261 1 18 . 1 1 39 39 ALA H H 39 8.125 8.125 7.941 0.184 26045 4262 1 18 . 1 1 40 40 ARG N N 40 116.657 116.657 117.785 -1.128 26045 4263 1 18 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.054 0.120 26045 4264 1 18 . 1 1 40 40 ARG C C 40 177.220 177.220 179.070 -1.850 26045 4265 1 18 . 1 1 40 40 ARG CA C 40 57.811 57.811 59.141 -1.330 26045 4266 1 18 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.077 0.044 26045 4267 1 18 . 1 1 40 40 ARG H H 40 7.738 7.738 7.602 0.136 26045 4268 1 18 . 1 1 41 41 ASN N N 41 116.193 116.193 118.020 -1.827 26045 4269 1 18 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.514 0.220 26045 4270 1 18 . 1 1 41 41 ASN C C 41 175.369 175.369 177.055 -1.686 26045 4271 1 18 . 1 1 41 41 ASN CA C 41 53.837 53.837 55.457 -1.620 26045 4272 1 18 . 1 1 41 41 ASN CB C 41 39.136 39.136 38.498 0.638 26045 4273 1 18 . 1 1 41 41 ASN H H 41 7.896 7.896 8.023 -0.127 26045 4274 1 18 . 1 1 42 42 CYS N N 42 118.352 118.352 117.192 1.160 26045 4275 1 18 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.250 0.313 26045 4276 1 18 . 1 1 42 42 CYS C C 42 174.213 174.213 175.483 -1.270 26045 4277 1 18 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.192 -4.147 26045 4278 1 18 . 1 1 42 42 CYS CB C 42 41.719 41.719 26.764 14.955 26045 4279 1 18 . 1 1 42 42 CYS H H 42 7.997 7.997 8.119 -0.122 26045 4280 1 18 . 1 1 43 43 GLU N N 43 122.347 122.347 117.290 5.057 26045 4281 1 18 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.273 0.124 26045 4282 1 18 . 1 1 43 43 GLU C C 43 175.369 175.369 176.261 -0.892 26045 4283 1 18 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.200 0.508 26045 4284 1 18 . 1 1 43 43 GLU H H 43 8.307 8.307 8.058 0.249 26045 4285 1 19 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.236 0.265 26045 4286 1 19 . 1 1 2 2 PRO C C 2 178.016 178.016 176.077 1.939 26045 4287 1 19 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.658 1.153 26045 4288 1 19 . 1 1 2 2 PRO CB C 2 32.260 32.260 32.102 0.158 26045 4289 1 19 . 1 1 3 3 CYS N N 3 117.098 117.098 114.362 2.736 26045 4290 1 19 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.596 -0.086 26045 4291 1 19 . 1 1 3 3 CYS C C 3 176.295 176.295 175.746 0.549 26045 4292 1 19 . 1 1 3 3 CYS CA C 3 57.465 57.465 58.051 -0.586 26045 4293 1 19 . 1 1 3 3 CYS CB C 3 39.971 39.971 26.646 13.325 26045 4294 1 19 . 1 1 3 3 CYS H H 3 9.130 9.130 8.143 0.987 26045 4295 1 19 . 1 1 4 4 GLU N N 4 121.091 121.091 123.097 -2.006 26045 4296 1 19 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.961 0.113 26045 4297 1 19 . 1 1 4 4 GLU C C 4 178.196 178.196 177.743 0.453 26045 4298 1 19 . 1 1 4 4 GLU CA C 4 59.542 59.542 60.117 -0.575 26045 4299 1 19 . 1 1 4 4 GLU H H 4 8.177 8.177 8.610 -0.433 26045 4300 1 19 . 1 1 5 5 ASP N N 5 119.768 119.768 119.015 0.753 26045 4301 1 19 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.407 0.054 26045 4302 1 19 . 1 1 5 5 ASP C C 5 178.273 178.273 178.651 -0.378 26045 4303 1 19 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.373 -0.948 26045 4304 1 19 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.070 0.102 26045 4305 1 19 . 1 1 5 5 ASP H H 5 8.064 8.064 8.713 -0.649 26045 4306 1 19 . 1 1 6 6 LEU N N 6 121.053 121.053 121.135 -0.082 26045 4307 1 19 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.007 0.021 26045 4308 1 19 . 1 1 6 6 LEU C C 6 177.811 177.811 178.277 -0.466 26045 4309 1 19 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.781 0.145 26045 4310 1 19 . 1 1 6 6 LEU CB C 6 41.879 41.879 42.148 -0.268 26045 4311 1 19 . 1 1 6 6 LEU H H 6 7.785 7.785 7.773 0.012 26045 4312 1 19 . 1 1 7 7 LYS N N 7 117.877 117.877 118.507 -0.630 26045 4313 1 19 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.922 -0.127 26045 4314 1 19 . 1 1 7 7 LYS C C 7 178.710 178.710 178.746 -0.036 26045 4315 1 19 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.627 0.677 26045 4316 1 19 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.330 -0.046 26045 4317 1 19 . 1 1 7 7 LYS H H 7 7.995 7.995 7.958 0.037 26045 4318 1 19 . 1 1 8 8 GLU N N 8 117.399 117.399 118.635 -1.236 26045 4319 1 19 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.085 0.012 26045 4320 1 19 . 1 1 8 8 GLU C C 8 178.916 178.916 179.387 -0.471 26045 4321 1 19 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.845 -0.156 26045 4322 1 19 . 1 1 8 8 GLU H H 8 7.760 7.760 7.684 0.076 26045 4323 1 19 . 1 1 9 9 ARG N N 9 120.362 120.362 119.835 0.527 26045 4324 1 19 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.094 -0.036 26045 4325 1 19 . 1 1 9 9 ARG C C 9 178.967 178.967 178.931 0.036 26045 4326 1 19 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.074 0.255 26045 4327 1 19 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.091 0.265 26045 4328 1 19 . 1 1 9 9 ARG H H 9 7.996 7.996 7.688 0.308 26045 4329 1 19 . 1 1 10 10 LEU N N 10 117.258 117.258 119.845 -2.587 26045 4330 1 19 . 1 1 10 10 LEU HA H 10 4.086 4.086 3.996 0.090 26045 4331 1 19 . 1 1 10 10 LEU C C 10 177.566 177.566 179.106 -1.540 26045 4332 1 19 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.951 -0.829 26045 4333 1 19 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.520 -0.134 26045 4334 1 19 . 1 1 10 10 LEU H H 10 8.341 8.341 7.999 0.342 26045 4335 1 19 . 1 1 11 11 LYS N N 11 119.034 119.034 116.451 2.583 26045 4336 1 19 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.105 -0.066 26045 4337 1 19 . 1 1 11 11 LYS C C 11 178.736 178.736 179.240 -0.504 26045 4338 1 19 . 1 1 11 11 LYS CA C 11 59.135 59.135 58.712 0.423 26045 4339 1 19 . 1 1 11 11 LYS H H 11 7.707 7.707 7.645 0.062 26045 4340 1 19 . 1 1 12 12 LYS N N 12 119.013 119.013 121.429 -2.416 26045 4341 1 19 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.134 0.054 26045 4342 1 19 . 1 1 12 12 LYS C C 12 178.960 178.960 178.030 0.930 26045 4343 1 19 . 1 1 12 12 LYS CA C 12 57.815 57.815 59.004 -1.189 26045 4344 1 19 . 1 1 12 12 LYS H H 12 7.709 7.709 7.729 -0.020 26045 4345 1 19 . 1 1 13 13 LEU N N 13 119.078 119.078 113.034 6.044 26045 4346 1 19 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.671 -0.361 26045 4347 1 19 . 1 1 13 13 LEU C C 13 177.606 177.606 178.170 -0.564 26045 4348 1 19 . 1 1 13 13 LEU CA C 13 55.418 55.418 54.888 0.530 26045 4349 1 19 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.885 -0.004 26045 4350 1 19 . 1 1 13 13 LEU H H 13 7.705 7.705 7.728 -0.023 26045 4351 1 19 . 1 1 14 14 GLY N N 14 108.342 108.342 108.019 0.323 26045 4352 1 19 . 1 1 14 14 GLY C C 14 174.367 174.367 174.281 0.086 26045 4353 1 19 . 1 1 14 14 GLY CA C 14 45.958 45.958 44.920 1.038 26045 4354 1 19 . 1 1 14 14 GLY H H 14 8.107 8.107 7.835 0.272 26045 4355 1 19 . 1 1 15 15 MET N N 15 119.054 119.054 118.540 0.514 26045 4356 1 19 . 1 1 15 15 MET HA H 15 4.512 4.512 4.019 0.493 26045 4357 1 19 . 1 1 15 15 MET C C 15 175.916 175.916 174.757 1.159 26045 4358 1 19 . 1 1 15 15 MET CA C 15 55.467 55.467 56.028 -0.561 26045 4359 1 19 . 1 1 15 15 MET CB C 15 34.560 34.560 33.112 1.448 26045 4360 1 19 . 1 1 15 15 MET H H 15 7.686 7.686 7.903 -0.217 26045 4361 1 19 . 1 1 16 16 SER N N 16 120.057 120.057 116.870 3.187 26045 4362 1 19 . 1 1 16 16 SER HA H 16 4.400 4.400 4.508 -0.108 26045 4363 1 19 . 1 1 16 16 SER C C 16 174.742 174.742 175.846 -1.104 26045 4364 1 19 . 1 1 16 16 SER CA C 16 57.747 57.747 58.838 -1.091 26045 4365 1 19 . 1 1 16 16 SER CB C 16 64.785 64.785 63.754 1.031 26045 4366 1 19 . 1 1 16 16 SER H H 16 8.948 8.948 8.281 0.667 26045 4367 1 19 . 1 1 17 17 GLU N N 17 123.142 123.142 125.298 -2.156 26045 4368 1 19 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.858 0.133 26045 4369 1 19 . 1 1 17 17 GLU C C 17 178.556 178.556 178.195 0.361 26045 4370 1 19 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.274 -0.564 26045 4371 1 19 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.465 -0.239 26045 4372 1 19 . 1 1 17 17 GLU H H 17 9.035 9.035 8.858 0.177 26045 4373 1 19 . 1 1 18 18 GLU N N 18 118.705 118.705 119.264 -0.559 26045 4374 1 19 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.203 -0.174 26045 4375 1 19 . 1 1 18 18 GLU C C 18 179.173 179.173 178.110 1.063 26045 4376 1 19 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.172 0.750 26045 4377 1 19 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.495 -0.515 26045 4378 1 19 . 1 1 18 18 GLU H H 18 8.790 8.790 8.346 0.444 26045 4379 1 19 . 1 1 19 19 CYS N N 19 118.720 118.720 118.535 0.185 26045 4380 1 19 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.246 0.045 26045 4381 1 19 . 1 1 19 19 CYS C C 19 176.295 176.295 177.429 -1.134 26045 4382 1 19 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.511 -3.226 26045 4383 1 19 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.491 13.884 26045 4384 1 19 . 1 1 19 19 CYS H H 19 7.875 7.875 7.473 0.402 26045 4385 1 19 . 1 1 20 20 ARG N N 20 120.027 120.027 119.106 0.921 26045 4386 1 19 . 1 1 20 20 ARG HA H 20 3.854 3.854 4.080 -0.226 26045 4387 1 19 . 1 1 20 20 ARG C C 20 178.633 178.633 178.751 -0.118 26045 4388 1 19 . 1 1 20 20 ARG CA C 20 60.628 60.628 58.409 2.219 26045 4389 1 19 . 1 1 20 20 ARG CB C 20 29.851 29.851 28.119 1.732 26045 4390 1 19 . 1 1 20 20 ARG H H 20 8.507 8.507 8.215 0.292 26045 4391 1 19 . 1 1 21 21 GLN N N 21 117.558 117.558 119.189 -1.631 26045 4392 1 19 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.352 -0.328 26045 4393 1 19 . 1 1 21 21 GLN C C 21 179.122 179.122 178.854 0.268 26045 4394 1 19 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.421 0.623 26045 4395 1 19 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.535 -0.254 26045 4396 1 19 . 1 1 21 21 GLN H H 21 8.379 8.379 7.708 0.671 26045 4397 1 19 . 1 1 22 22 ARG N N 22 120.355 120.355 120.514 -0.159 26045 4398 1 19 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.040 0.019 26045 4399 1 19 . 1 1 22 22 ARG C C 22 178.967 178.967 178.862 0.105 26045 4400 1 19 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.552 -0.136 26045 4401 1 19 . 1 1 22 22 ARG H H 22 7.859 7.859 7.871 -0.012 26045 4402 1 19 . 1 1 23 23 LEU N N 23 120.539 120.539 119.595 0.944 26045 4403 1 19 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.028 0.020 26045 4404 1 19 . 1 1 23 23 LEU C C 23 178.890 178.890 179.113 -0.223 26045 4405 1 19 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.681 0.337 26045 4406 1 19 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.549 -0.121 26045 4407 1 19 . 1 1 23 23 LEU H H 23 8.332 8.332 7.776 0.556 26045 4408 1 19 . 1 1 24 24 GLU N N 24 119.377 119.377 118.666 0.711 26045 4409 1 19 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.911 -0.053 26045 4410 1 19 . 1 1 24 24 GLU C C 24 178.762 178.762 178.717 0.045 26045 4411 1 19 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.742 0.220 26045 4412 1 19 . 1 1 24 24 GLU H H 24 8.296 8.296 8.301 -0.005 26045 4413 1 19 . 1 1 25 25 LYS N N 25 118.971 118.971 119.920 -0.949 26045 4414 1 19 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.236 -0.182 26045 4415 1 19 . 1 1 25 25 LYS C C 25 178.402 178.402 179.045 -0.643 26045 4416 1 19 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.104 0.266 26045 4417 1 19 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.379 0.216 26045 4418 1 19 . 1 1 25 25 LYS H H 25 7.637 7.637 7.436 0.201 26045 4419 1 19 . 1 1 26 26 MET N N 26 117.688 117.688 117.411 0.277 26045 4420 1 19 . 1 1 26 26 MET HA H 26 4.199 4.199 4.353 -0.154 26045 4421 1 19 . 1 1 26 26 MET C C 26 178.222 178.222 177.951 0.271 26045 4422 1 19 . 1 1 26 26 MET CA C 26 58.414 58.414 56.856 1.558 26045 4423 1 19 . 1 1 26 26 MET CB C 26 33.182 33.182 31.448 1.734 26045 4424 1 19 . 1 1 26 26 MET H H 26 7.953 7.953 7.965 -0.012 26045 4425 1 19 . 1 1 27 27 CYS N N 27 117.669 117.669 116.116 1.553 26045 4426 1 19 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.223 0.069 26045 4427 1 19 . 1 1 27 27 CYS C C 27 176.218 176.218 176.766 -0.548 26045 4428 1 19 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.680 -1.403 26045 4429 1 19 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.724 13.578 26045 4430 1 19 . 1 1 27 27 CYS H H 27 8.264 8.264 7.783 0.481 26045 4431 1 19 . 1 1 28 28 LYS N N 28 120.893 120.893 118.211 2.682 26045 4432 1 19 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.278 -0.094 26045 4433 1 19 . 1 1 28 28 LYS C C 28 177.862 177.862 177.896 -0.034 26045 4434 1 19 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.087 0.329 26045 4435 1 19 . 1 1 28 28 LYS CB C 28 33.096 33.096 33.121 -0.025 26045 4436 1 19 . 1 1 28 28 LYS H H 28 7.983 7.983 8.093 -0.110 26045 4437 1 19 . 1 1 29 29 GLU N N 29 117.203 117.203 116.972 0.231 26045 4438 1 19 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.428 -0.064 26045 4439 1 19 . 1 1 29 29 GLU C C 29 176.937 176.937 175.991 0.946 26045 4440 1 19 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.079 0.704 26045 4441 1 19 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.490 -0.150 26045 4442 1 19 . 1 1 29 29 GLU H H 29 8.110 8.110 8.020 0.090 26045 4443 1 19 . 1 1 30 30 GLY N N 30 109.260 109.260 108.955 0.305 26045 4444 1 19 . 1 1 30 30 GLY C C 30 174.162 174.162 173.021 1.141 26045 4445 1 19 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.466 0.030 26045 4446 1 19 . 1 1 30 30 GLY H H 30 7.990 7.990 7.551 0.439 26045 4447 1 19 . 1 1 31 31 THR N N 31 113.648 113.648 113.130 0.518 26045 4448 1 19 . 1 1 31 31 THR HA H 31 4.594 4.594 4.785 -0.191 26045 4449 1 19 . 1 1 31 31 THR C C 31 175.035 175.035 175.268 -0.233 26045 4450 1 19 . 1 1 31 31 THR CA C 31 60.974 60.974 60.238 0.736 26045 4451 1 19 . 1 1 31 31 THR CB C 31 70.524 70.524 72.121 -1.597 26045 4452 1 19 . 1 1 31 31 THR H H 31 8.257 8.257 7.561 0.696 26045 4453 1 19 . 1 1 32 32 SER N N 32 118.066 118.066 118.653 -0.587 26045 4454 1 19 . 1 1 32 32 SER HA H 32 4.360 4.360 4.099 0.261 26045 4455 1 19 . 1 1 32 32 SER C C 32 175.472 175.472 176.080 -0.608 26045 4456 1 19 . 1 1 32 32 SER CA C 32 59.857 59.857 60.945 -1.088 26045 4457 1 19 . 1 1 32 32 SER CB C 32 63.485 63.485 63.398 0.087 26045 4458 1 19 . 1 1 32 32 SER H H 32 8.633 8.633 8.919 -0.286 26045 4459 1 19 . 1 1 33 33 GLU N N 33 122.577 122.577 121.754 0.823 26045 4460 1 19 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.204 0.005 26045 4461 1 19 . 1 1 33 33 GLU C C 33 177.528 177.528 177.694 -0.166 26045 4462 1 19 . 1 1 33 33 GLU CA C 33 58.406 58.406 58.688 -0.282 26045 4463 1 19 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.326 0.462 26045 4464 1 19 . 1 1 33 33 GLU H H 33 8.532 8.532 8.464 0.068 26045 4465 1 19 . 1 1 34 34 ASP N N 34 120.121 120.121 119.229 0.892 26045 4466 1 19 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.542 -0.055 26045 4467 1 19 . 1 1 34 34 ASP C C 34 177.605 177.605 177.585 0.020 26045 4468 1 19 . 1 1 34 34 ASP CA C 34 55.826 55.826 56.216 -0.390 26045 4469 1 19 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.975 0.004 26045 4470 1 19 . 1 1 34 34 ASP H H 34 8.122 8.122 7.682 0.440 26045 4471 1 19 . 1 1 35 35 ALA N N 35 123.997 123.997 122.971 1.026 26045 4472 1 19 . 1 1 35 35 ALA HA H 35 4.009 4.009 3.962 0.047 26045 4473 1 19 . 1 1 35 35 ALA C C 35 178.890 178.890 179.369 -0.479 26045 4474 1 19 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.369 -0.179 26045 4475 1 19 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.499 0.320 26045 4476 1 19 . 1 1 35 35 ALA H H 35 8.107 8.107 7.499 0.608 26045 4477 1 19 . 1 1 36 36 GLU N N 36 117.393 117.393 117.355 0.038 26045 4478 1 19 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.910 0.007 26045 4479 1 19 . 1 1 36 36 GLU C C 36 178.505 178.505 178.307 0.198 26045 4480 1 19 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.739 0.617 26045 4481 1 19 . 1 1 36 36 GLU H H 36 8.353 8.353 7.845 0.508 26045 4482 1 19 . 1 1 37 37 ARG N N 37 118.853 118.853 120.555 -1.702 26045 4483 1 19 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.114 -0.084 26045 4484 1 19 . 1 1 37 37 ARG C C 37 178.556 178.556 178.148 0.408 26045 4485 1 19 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.867 -0.162 26045 4486 1 19 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.216 0.009 26045 4487 1 19 . 1 1 37 37 ARG H H 37 7.779 7.779 7.379 0.400 26045 4488 1 19 . 1 1 38 38 MET N N 38 118.299 118.299 115.789 2.510 26045 4489 1 19 . 1 1 38 38 MET HA H 38 4.231 4.231 4.376 -0.145 26045 4490 1 19 . 1 1 38 38 MET C C 38 177.811 177.811 177.936 -0.125 26045 4491 1 19 . 1 1 38 38 MET CA C 38 57.445 57.445 56.241 1.204 26045 4492 1 19 . 1 1 38 38 MET CB C 38 32.313 32.313 32.331 -0.018 26045 4493 1 19 . 1 1 38 38 MET H H 38 7.960 7.960 7.931 0.029 26045 4494 1 19 . 1 1 39 39 ALA N N 39 121.698 121.698 122.604 -0.906 26045 4495 1 19 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.087 -0.024 26045 4496 1 19 . 1 1 39 39 ALA C C 39 178.813 178.813 178.621 0.192 26045 4497 1 19 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.925 -0.445 26045 4498 1 19 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.698 -0.088 26045 4499 1 19 . 1 1 39 39 ALA H H 39 8.125 8.125 7.790 0.335 26045 4500 1 19 . 1 1 40 40 ARG N N 40 116.657 116.657 116.265 0.392 26045 4501 1 19 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.251 -0.077 26045 4502 1 19 . 1 1 40 40 ARG C C 40 177.220 177.220 176.256 0.964 26045 4503 1 19 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.553 0.258 26045 4504 1 19 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.822 0.299 26045 4505 1 19 . 1 1 40 40 ARG H H 40 7.738 7.738 7.885 -0.147 26045 4506 1 19 . 1 1 41 41 ASN N N 41 116.193 116.193 115.517 0.676 26045 4507 1 19 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.845 -0.111 26045 4508 1 19 . 1 1 41 41 ASN C C 41 175.369 175.369 174.827 0.542 26045 4509 1 19 . 1 1 41 41 ASN CA C 41 53.837 53.837 53.768 0.069 26045 4510 1 19 . 1 1 41 41 ASN CB C 41 39.136 39.136 40.368 -1.232 26045 4511 1 19 . 1 1 41 41 ASN H H 41 7.896 7.896 7.681 0.215 26045 4512 1 19 . 1 1 42 42 CYS N N 42 118.352 118.352 119.280 -0.928 26045 4513 1 19 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.419 0.144 26045 4514 1 19 . 1 1 42 42 CYS C C 42 174.213 174.213 174.395 -0.182 26045 4515 1 19 . 1 1 42 42 CYS CA C 42 57.045 57.045 59.156 -2.111 26045 4516 1 19 . 1 1 42 42 CYS CB C 42 41.719 41.719 29.461 12.258 26045 4517 1 19 . 1 1 42 42 CYS H H 42 7.997 7.997 7.624 0.373 26045 4518 1 19 . 1 1 43 43 GLU N N 43 122.347 122.347 120.804 1.543 26045 4519 1 19 . 1 1 43 43 GLU HA H 43 4.397 4.397 3.999 0.398 26045 4520 1 19 . 1 1 43 43 GLU C C 43 175.369 175.369 175.401 -0.032 26045 4521 1 19 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.643 0.065 26045 4522 1 19 . 1 1 43 43 GLU H H 43 8.307 8.307 8.125 0.182 26045 4523 1 20 . 1 1 2 2 PRO HA H 2 4.501 4.501 4.391 0.110 26045 4524 1 20 . 1 1 2 2 PRO C C 2 178.016 178.016 176.821 1.195 26045 4525 1 20 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.406 1.405 26045 4526 1 20 . 1 1 2 2 PRO CB C 2 32.260 32.260 30.179 2.081 26045 4527 1 20 . 1 1 3 3 CYS N N 3 117.098 117.098 120.663 -3.565 26045 4528 1 20 . 1 1 3 3 CYS HA H 3 4.510 4.510 3.997 0.513 26045 4529 1 20 . 1 1 3 3 CYS C C 3 176.295 176.295 176.700 -0.405 26045 4530 1 20 . 1 1 3 3 CYS CA C 3 57.465 57.465 60.849 -3.384 26045 4531 1 20 . 1 1 3 3 CYS CB C 3 39.971 39.971 26.032 13.939 26045 4532 1 20 . 1 1 3 3 CYS H H 3 9.130 9.130 8.633 0.497 26045 4533 1 20 . 1 1 4 4 GLU N N 4 121.091 121.091 120.387 0.704 26045 4534 1 20 . 1 1 4 4 GLU HA H 4 4.074 4.074 3.939 0.135 26045 4535 1 20 . 1 1 4 4 GLU C C 4 178.196 178.196 177.593 0.603 26045 4536 1 20 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.897 -0.355 26045 4537 1 20 . 1 1 4 4 GLU H H 4 8.177 8.177 8.727 -0.550 26045 4538 1 20 . 1 1 5 5 ASP N N 5 119.768 119.768 119.457 0.311 26045 4539 1 20 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.540 -0.079 26045 4540 1 20 . 1 1 5 5 ASP C C 5 178.273 178.273 178.551 -0.278 26045 4541 1 20 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.381 -0.956 26045 4542 1 20 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.499 -0.327 26045 4543 1 20 . 1 1 5 5 ASP H H 5 8.064 8.064 7.680 0.384 26045 4544 1 20 . 1 1 6 6 LEU N N 6 121.053 121.053 120.610 0.443 26045 4545 1 20 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.055 -0.027 26045 4546 1 20 . 1 1 6 6 LEU C C 6 177.811 177.811 178.238 -0.427 26045 4547 1 20 . 1 1 6 6 LEU CA C 6 57.926 57.926 58.018 -0.092 26045 4548 1 20 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.976 -0.097 26045 4549 1 20 . 1 1 6 6 LEU H H 6 7.785 7.785 7.795 -0.010 26045 4550 1 20 . 1 1 7 7 LYS N N 7 117.877 117.877 119.145 -1.268 26045 4551 1 20 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.826 -0.031 26045 4552 1 20 . 1 1 7 7 LYS C C 7 178.710 178.710 178.927 -0.217 26045 4553 1 20 . 1 1 7 7 LYS CA C 7 60.304 60.304 60.362 -0.058 26045 4554 1 20 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.328 -0.044 26045 4555 1 20 . 1 1 7 7 LYS H H 7 7.995 7.995 8.219 -0.224 26045 4556 1 20 . 1 1 8 8 GLU N N 8 117.399 117.399 117.867 -0.468 26045 4557 1 20 . 1 1 8 8 GLU HA H 8 4.097 4.097 3.985 0.112 26045 4558 1 20 . 1 1 8 8 GLU C C 8 178.916 178.916 179.090 -0.174 26045 4559 1 20 . 1 1 8 8 GLU CA C 8 58.689 58.689 59.586 -0.897 26045 4560 1 20 . 1 1 8 8 GLU H H 8 7.760 7.760 8.375 -0.615 26045 4561 1 20 . 1 1 9 9 ARG N N 9 120.362 120.362 119.584 0.778 26045 4562 1 20 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.105 -0.047 26045 4563 1 20 . 1 1 9 9 ARG C C 9 178.967 178.967 178.891 0.076 26045 4564 1 20 . 1 1 9 9 ARG CA C 9 59.329 59.329 58.811 0.518 26045 4565 1 20 . 1 1 9 9 ARG CB C 9 30.356 30.356 29.939 0.417 26045 4566 1 20 . 1 1 9 9 ARG H H 9 7.996 7.996 7.598 0.398 26045 4567 1 20 . 1 1 10 10 LEU N N 10 117.258 117.258 119.384 -2.126 26045 4568 1 20 . 1 1 10 10 LEU HA H 10 4.086 4.086 3.958 0.128 26045 4569 1 20 . 1 1 10 10 LEU C C 10 177.566 177.566 178.759 -1.193 26045 4570 1 20 . 1 1 10 10 LEU CA C 10 57.122 57.122 58.124 -1.002 26045 4571 1 20 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.353 0.033 26045 4572 1 20 . 1 1 10 10 LEU H H 10 8.341 8.341 7.833 0.508 26045 4573 1 20 . 1 1 11 11 LYS N N 11 119.034 119.034 117.423 1.611 26045 4574 1 20 . 1 1 11 11 LYS HA H 11 4.039 4.039 3.964 0.075 26045 4575 1 20 . 1 1 11 11 LYS C C 11 178.736 178.736 178.930 -0.194 26045 4576 1 20 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.435 -0.300 26045 4577 1 20 . 1 1 11 11 LYS H H 11 7.707 7.707 7.678 0.029 26045 4578 1 20 . 1 1 12 12 LYS N N 12 119.013 119.013 119.240 -0.227 26045 4579 1 20 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.113 0.075 26045 4580 1 20 . 1 1 12 12 LYS C C 12 178.960 178.960 179.417 -0.457 26045 4581 1 20 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.651 -0.836 26045 4582 1 20 . 1 1 12 12 LYS H H 12 7.709 7.709 7.674 0.035 26045 4583 1 20 . 1 1 13 13 LEU N N 13 119.078 119.078 118.769 0.309 26045 4584 1 20 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.170 0.140 26045 4585 1 20 . 1 1 13 13 LEU C C 13 177.606 177.606 176.242 1.364 26045 4586 1 20 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.239 0.179 26045 4587 1 20 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.686 0.195 26045 4588 1 20 . 1 1 13 13 LEU H H 13 7.705 7.705 8.001 -0.296 26045 4589 1 20 . 1 1 14 14 GLY N N 14 108.342 108.342 106.345 1.997 26045 4590 1 20 . 1 1 14 14 GLY C C 14 174.367 174.367 174.565 -0.198 26045 4591 1 20 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.388 0.570 26045 4592 1 20 . 1 1 14 14 GLY H H 14 8.107 8.107 7.511 0.596 26045 4593 1 20 . 1 1 15 15 MET N N 15 119.054 119.054 116.385 2.669 26045 4594 1 20 . 1 1 15 15 MET HA H 15 4.512 4.512 4.760 -0.248 26045 4595 1 20 . 1 1 15 15 MET C C 15 175.916 175.916 175.044 0.872 26045 4596 1 20 . 1 1 15 15 MET CA C 15 55.467 55.467 54.716 0.751 26045 4597 1 20 . 1 1 15 15 MET CB C 15 34.560 34.560 34.039 0.521 26045 4598 1 20 . 1 1 15 15 MET H H 15 7.686 7.686 7.436 0.250 26045 4599 1 20 . 1 1 16 16 SER N N 16 120.057 120.057 116.449 3.608 26045 4600 1 20 . 1 1 16 16 SER HA H 16 4.400 4.400 4.599 -0.199 26045 4601 1 20 . 1 1 16 16 SER C C 16 174.742 174.742 175.589 -0.847 26045 4602 1 20 . 1 1 16 16 SER CA C 16 57.747 57.747 57.585 0.162 26045 4603 1 20 . 1 1 16 16 SER CB C 16 64.785 64.785 64.166 0.619 26045 4604 1 20 . 1 1 16 16 SER H H 16 8.948 8.948 8.340 0.608 26045 4605 1 20 . 1 1 17 17 GLU N N 17 123.142 123.142 124.080 -0.938 26045 4606 1 20 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.860 0.131 26045 4607 1 20 . 1 1 17 17 GLU C C 17 178.556 178.556 178.456 0.100 26045 4608 1 20 . 1 1 17 17 GLU CA C 17 59.710 59.710 60.171 -0.461 26045 4609 1 20 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.507 -0.281 26045 4610 1 20 . 1 1 17 17 GLU H H 17 9.035 9.035 9.078 -0.043 26045 4611 1 20 . 1 1 18 18 GLU N N 18 118.705 118.705 118.736 -0.031 26045 4612 1 20 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.115 -0.086 26045 4613 1 20 . 1 1 18 18 GLU C C 18 179.173 179.173 178.687 0.486 26045 4614 1 20 . 1 1 18 18 GLU CA C 18 59.921 59.921 58.989 0.932 26045 4615 1 20 . 1 1 18 18 GLU CB C 18 28.980 28.980 28.858 0.122 26045 4616 1 20 . 1 1 18 18 GLU H H 18 8.790 8.790 8.771 0.019 26045 4617 1 20 . 1 1 19 19 CYS N N 19 118.720 118.720 119.909 -1.189 26045 4618 1 20 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.192 0.099 26045 4619 1 20 . 1 1 19 19 CYS C C 19 176.295 176.295 177.400 -1.105 26045 4620 1 20 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.346 -3.061 26045 4621 1 20 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.173 14.202 26045 4622 1 20 . 1 1 19 19 CYS H H 19 7.875 7.875 7.546 0.329 26045 4623 1 20 . 1 1 20 20 ARG N N 20 120.027 120.027 119.616 0.411 26045 4624 1 20 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.913 -0.059 26045 4625 1 20 . 1 1 20 20 ARG C C 20 178.633 178.633 179.180 -0.547 26045 4626 1 20 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.984 0.644 26045 4627 1 20 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.811 0.040 26045 4628 1 20 . 1 1 20 20 ARG H H 20 8.507 8.507 7.664 0.843 26045 4629 1 20 . 1 1 21 21 GLN N N 21 117.558 117.558 116.797 0.761 26045 4630 1 20 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.196 -0.172 26045 4631 1 20 . 1 1 21 21 GLN C C 21 179.122 179.122 178.782 0.340 26045 4632 1 20 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.621 0.423 26045 4633 1 20 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.375 -0.094 26045 4634 1 20 . 1 1 21 21 GLN H H 21 8.379 8.379 7.945 0.434 26045 4635 1 20 . 1 1 22 22 ARG N N 22 120.355 120.355 120.275 0.080 26045 4636 1 20 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.101 -0.042 26045 4637 1 20 . 1 1 22 22 ARG C C 22 178.967 178.967 178.842 0.125 26045 4638 1 20 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.155 0.261 26045 4639 1 20 . 1 1 22 22 ARG H H 22 7.859 7.859 7.645 0.214 26045 4640 1 20 . 1 1 23 23 LEU N N 23 120.539 120.539 120.361 0.178 26045 4641 1 20 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.082 -0.034 26045 4642 1 20 . 1 1 23 23 LEU C C 23 178.890 178.890 178.993 -0.103 26045 4643 1 20 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.619 0.399 26045 4644 1 20 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.619 -0.191 26045 4645 1 20 . 1 1 23 23 LEU H H 23 8.332 8.332 7.989 0.343 26045 4646 1 20 . 1 1 24 24 GLU N N 24 119.377 119.377 118.785 0.592 26045 4647 1 20 . 1 1 24 24 GLU HA H 24 3.858 3.858 4.029 -0.171 26045 4648 1 20 . 1 1 24 24 GLU C C 24 178.762 178.762 178.566 0.196 26045 4649 1 20 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.114 0.848 26045 4650 1 20 . 1 1 24 24 GLU H H 24 8.296 8.296 8.652 -0.356 26045 4651 1 20 . 1 1 25 25 LYS N N 25 118.971 118.971 119.771 -0.800 26045 4652 1 20 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.084 -0.030 26045 4653 1 20 . 1 1 25 25 LYS C C 25 178.402 178.402 178.549 -0.147 26045 4654 1 20 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.321 0.049 26045 4655 1 20 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.342 0.254 26045 4656 1 20 . 1 1 25 25 LYS H H 25 7.637 7.637 7.574 0.063 26045 4657 1 20 . 1 1 26 26 MET N N 26 117.688 117.688 117.907 -0.219 26045 4658 1 20 . 1 1 26 26 MET HA H 26 4.199 4.199 4.324 -0.125 26045 4659 1 20 . 1 1 26 26 MET C C 26 178.222 178.222 178.606 -0.384 26045 4660 1 20 . 1 1 26 26 MET CA C 26 58.414 58.414 57.138 1.276 26045 4661 1 20 . 1 1 26 26 MET CB C 26 33.182 33.182 31.352 1.830 26045 4662 1 20 . 1 1 26 26 MET H H 26 7.953 7.953 7.998 -0.045 26045 4663 1 20 . 1 1 27 27 CYS N N 27 117.669 117.669 116.669 1.000 26045 4664 1 20 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.224 0.068 26045 4665 1 20 . 1 1 27 27 CYS C C 27 176.218 176.218 175.760 0.458 26045 4666 1 20 . 1 1 27 27 CYS CA C 27 59.277 59.277 60.949 -1.671 26045 4667 1 20 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.345 13.957 26045 4668 1 20 . 1 1 27 27 CYS H H 27 8.264 8.264 7.904 0.360 26045 4669 1 20 . 1 1 28 28 LYS N N 28 120.893 120.893 118.187 2.706 26045 4670 1 20 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.320 -0.136 26045 4671 1 20 . 1 1 28 28 LYS C C 28 177.862 177.862 177.802 0.060 26045 4672 1 20 . 1 1 28 28 LYS CA C 28 58.415 58.415 57.751 0.664 26045 4673 1 20 . 1 1 28 28 LYS CB C 28 33.096 33.096 33.041 0.055 26045 4674 1 20 . 1 1 28 28 LYS H H 28 7.983 7.983 7.253 0.730 26045 4675 1 20 . 1 1 29 29 GLU N N 29 117.203 117.203 117.374 -0.171 26045 4676 1 20 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.395 -0.031 26045 4677 1 20 . 1 1 29 29 GLU C C 29 176.937 176.937 177.299 -0.362 26045 4678 1 20 . 1 1 29 29 GLU CA C 29 56.783 56.783 57.014 -0.231 26045 4679 1 20 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.461 -0.121 26045 4680 1 20 . 1 1 29 29 GLU H H 29 8.110 8.110 8.313 -0.203 26045 4681 1 20 . 1 1 30 30 GLY N N 30 109.260 109.260 108.259 1.001 26045 4682 1 20 . 1 1 30 30 GLY C C 30 174.162 174.162 173.692 0.470 26045 4683 1 20 . 1 1 30 30 GLY CA C 30 45.496 45.496 44.696 0.800 26045 4684 1 20 . 1 1 30 30 GLY H H 30 7.990 7.990 7.673 0.317 26045 4685 1 20 . 1 1 31 31 THR N N 31 113.648 113.648 112.515 1.133 26045 4686 1 20 . 1 1 31 31 THR HA H 31 4.594 4.594 4.692 -0.098 26045 4687 1 20 . 1 1 31 31 THR C C 31 175.035 175.035 176.036 -1.001 26045 4688 1 20 . 1 1 31 31 THR CA C 31 60.974 60.974 60.245 0.729 26045 4689 1 20 . 1 1 31 31 THR CB C 31 70.524 70.524 72.528 -2.004 26045 4690 1 20 . 1 1 31 31 THR H H 31 8.257 8.257 8.440 -0.183 26045 4691 1 20 . 1 1 32 32 SER N N 32 118.066 118.066 117.189 0.877 26045 4692 1 20 . 1 1 32 32 SER HA H 32 4.360 4.360 4.098 0.262 26045 4693 1 20 . 1 1 32 32 SER C C 32 175.472 175.472 176.307 -0.835 26045 4694 1 20 . 1 1 32 32 SER CA C 32 59.857 59.857 62.244 -2.387 26045 4695 1 20 . 1 1 32 32 SER CB C 32 63.485 63.485 63.277 0.208 26045 4696 1 20 . 1 1 32 32 SER H H 32 8.633 8.633 8.755 -0.122 26045 4697 1 20 . 1 1 33 33 GLU N N 33 122.577 122.577 122.476 0.101 26045 4698 1 20 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.260 -0.051 26045 4699 1 20 . 1 1 33 33 GLU C C 33 177.528 177.528 178.046 -0.518 26045 4700 1 20 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.460 -1.054 26045 4701 1 20 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.218 0.570 26045 4702 1 20 . 1 1 33 33 GLU H H 33 8.532 8.532 8.313 0.219 26045 4703 1 20 . 1 1 34 34 ASP N N 34 120.121 120.121 119.619 0.502 26045 4704 1 20 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.389 0.098 26045 4705 1 20 . 1 1 34 34 ASP C C 34 177.605 177.605 178.103 -0.498 26045 4706 1 20 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.355 -1.530 26045 4707 1 20 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.325 0.654 26045 4708 1 20 . 1 1 34 34 ASP H H 34 8.122 8.122 7.870 0.252 26045 4709 1 20 . 1 1 35 35 ALA N N 35 123.997 123.997 122.067 1.930 26045 4710 1 20 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.065 -0.056 26045 4711 1 20 . 1 1 35 35 ALA C C 35 178.890 178.890 179.025 -0.135 26045 4712 1 20 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.082 0.108 26045 4713 1 20 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.691 0.128 26045 4714 1 20 . 1 1 35 35 ALA H H 35 8.107 8.107 7.506 0.601 26045 4715 1 20 . 1 1 36 36 GLU N N 36 117.393 117.393 118.100 -0.707 26045 4716 1 20 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.940 -0.023 26045 4717 1 20 . 1 1 36 36 GLU C C 36 178.505 178.505 178.915 -0.410 26045 4718 1 20 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.830 0.526 26045 4719 1 20 . 1 1 36 36 GLU H H 36 8.353 8.353 7.757 0.596 26045 4720 1 20 . 1 1 37 37 ARG N N 37 118.853 118.853 120.054 -1.201 26045 4721 1 20 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.053 -0.023 26045 4722 1 20 . 1 1 37 37 ARG C C 37 178.556 178.556 179.011 -0.455 26045 4723 1 20 . 1 1 37 37 ARG CA C 37 58.705 58.705 59.083 -0.378 26045 4724 1 20 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.227 -0.003 26045 4725 1 20 . 1 1 37 37 ARG H H 37 7.779 7.779 8.314 -0.535 26045 4726 1 20 . 1 1 38 38 MET N N 38 118.299 118.299 115.265 3.034 26045 4727 1 20 . 1 1 38 38 MET HA H 38 4.231 4.231 4.356 -0.125 26045 4728 1 20 . 1 1 38 38 MET C C 38 177.811 177.811 177.378 0.433 26045 4729 1 20 . 1 1 38 38 MET CA C 38 57.445 57.445 56.013 1.432 26045 4730 1 20 . 1 1 38 38 MET CB C 38 32.313 32.313 31.809 0.504 26045 4731 1 20 . 1 1 38 38 MET H H 38 7.960 7.960 7.495 0.465 26045 4732 1 20 . 1 1 39 39 ALA N N 39 121.698 121.698 120.517 1.181 26045 4733 1 20 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.175 -0.112 26045 4734 1 20 . 1 1 39 39 ALA C C 39 178.813 178.813 178.726 0.087 26045 4735 1 20 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.273 0.207 26045 4736 1 20 . 1 1 39 39 ALA CB C 39 18.610 18.610 19.649 -1.039 26045 4737 1 20 . 1 1 39 39 ALA H H 39 8.125 8.125 7.787 0.338 26045 4738 1 20 . 1 1 40 40 ARG N N 40 116.657 116.657 115.351 1.306 26045 4739 1 20 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.515 -0.341 26045 4740 1 20 . 1 1 40 40 ARG C C 40 177.220 177.220 176.876 0.344 26045 4741 1 20 . 1 1 40 40 ARG CA C 40 57.811 57.811 57.357 0.454 26045 4742 1 20 . 1 1 40 40 ARG CB C 40 30.121 30.121 30.225 -0.104 26045 4743 1 20 . 1 1 40 40 ARG H H 40 7.738 7.738 7.901 -0.163 26045 4744 1 20 . 1 1 41 41 ASN N N 41 116.193 116.193 115.760 0.433 26045 4745 1 20 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.864 -0.130 26045 4746 1 20 . 1 1 41 41 ASN C C 41 175.369 175.369 175.233 0.136 26045 4747 1 20 . 1 1 41 41 ASN CA C 41 53.837 53.837 53.254 0.583 26045 4748 1 20 . 1 1 41 41 ASN CB C 41 39.136 39.136 40.230 -1.094 26045 4749 1 20 . 1 1 41 41 ASN H H 41 7.896 7.896 8.077 -0.181 26045 4750 1 20 . 1 1 42 42 CYS N N 42 118.352 118.352 119.893 -1.541 26045 4751 1 20 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.334 0.229 26045 4752 1 20 . 1 1 42 42 CYS C C 42 174.213 174.213 175.766 -1.553 26045 4753 1 20 . 1 1 42 42 CYS CA C 42 57.045 57.045 61.333 -4.288 26045 4754 1 20 . 1 1 42 42 CYS CB C 42 41.719 41.719 28.529 13.190 26045 4755 1 20 . 1 1 42 42 CYS H H 42 7.997 7.997 7.892 0.105 26045 4756 1 20 . 1 1 43 43 GLU N N 43 122.347 122.347 117.132 5.215 26045 4757 1 20 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.284 0.113 26045 4758 1 20 . 1 1 43 43 GLU C C 43 175.369 175.369 176.227 -0.858 26045 4759 1 20 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.343 0.365 26045 4760 1 20 . 1 1 43 43 GLU H H 43 8.307 8.307 8.298 0.009 26045 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 41 1.658 -0.246 1.660 26045 2 1 1 "Average Difference" HA 44 0.132 -0.012 0.133 26045 3 1 1 "Average Difference" C 42 0.732 0.330 0.662 26045 4 1 1 "Average Difference" CA 42 1.100 0.248 1.085 26045 5 1 1 "Average Difference" CB 32 4.883 -1.931 4.557 26045 6 1 1 "Average Difference" HN 41 0.356 -0.122 0.339 26045 7 1 2 "Average Difference" N 41 1.591 -0.301 1.581 26045 8 1 2 "Average Difference" HA 44 0.154 -0.000 0.156 26045 9 1 2 "Average Difference" C 42 0.632 0.094 0.633 26045 10 1 2 "Average Difference" CA 42 1.088 0.171 1.087 26045 11 1 2 "Average Difference" CB 32 5.060 -1.887 4.770 26045 12 1 2 "Average Difference" HN 41 0.350 -0.179 0.305 26045 13 1 3 "Average Difference" N 41 1.580 -0.151 1.593 26045 14 1 3 "Average Difference" HA 44 0.118 -0.005 0.120 26045 15 1 3 "Average Difference" C 42 0.707 0.153 0.699 26045 16 1 3 "Average Difference" CA 42 1.093 0.175 1.092 26045 17 1 3 "Average Difference" CB 32 4.869 -1.783 4.603 26045 18 1 3 "Average Difference" HN 41 0.397 -0.124 0.382 26045 19 1 4 "Average Difference" N 41 1.729 -0.423 1.697 26045 20 1 4 "Average Difference" HA 44 0.174 0.026 0.174 26045 21 1 4 "Average Difference" C 42 0.700 0.137 0.695 26045 22 1 4 "Average Difference" CA 42 1.074 0.118 1.081 26045 23 1 4 "Average Difference" CB 32 4.888 -1.794 4.620 26045 24 1 4 "Average Difference" HN 41 0.336 -0.133 0.313 26045 25 1 5 "Average Difference" N 41 1.967 -0.509 1.924 26045 26 1 5 "Average Difference" HA 44 0.147 0.015 0.148 26045 27 1 5 "Average Difference" C 42 0.635 0.120 0.632 26045 28 1 5 "Average Difference" CA 42 1.165 0.145 1.170 26045 29 1 5 "Average Difference" CB 32 5.075 -1.845 4.803 26045 30 1 5 "Average Difference" HN 41 0.332 -0.156 0.297 26045 31 1 6 "Average Difference" N 41 1.880 -0.216 1.891 26045 32 1 6 "Average Difference" HA 44 0.146 0.004 0.148 26045 33 1 6 "Average Difference" C 42 0.654 0.263 0.606 26045 34 1 6 "Average Difference" CA 42 1.144 0.151 1.148 26045 35 1 6 "Average Difference" CB 32 4.981 -2.015 4.628 26045 36 1 6 "Average Difference" HN 41 0.317 -0.165 0.274 26045 37 1 7 "Average Difference" N 41 1.485 -0.359 1.458 26045 38 1 7 "Average Difference" HA 44 0.124 0.009 0.125 26045 39 1 7 "Average Difference" C 42 0.795 0.124 0.795 26045 40 1 7 "Average Difference" CA 42 1.199 0.141 1.205 26045 41 1 7 "Average Difference" CB 32 4.983 -1.966 4.652 26045 42 1 7 "Average Difference" HN 41 0.372 -0.207 0.313 26045 43 1 8 "Average Difference" N 41 1.766 -0.286 1.764 26045 44 1 8 "Average Difference" HA 44 0.166 -0.014 0.167 26045 45 1 8 "Average Difference" C 42 0.644 0.291 0.581 26045 46 1 8 "Average Difference" CA 42 1.239 0.352 1.203 26045 47 1 8 "Average Difference" CB 32 5.116 -2.028 4.772 26045 48 1 8 "Average Difference" HN 41 0.320 -0.167 0.277 26045 49 1 9 "Average Difference" N 41 1.601 -0.314 1.590 26045 50 1 9 "Average Difference" HA 44 0.134 -0.006 0.135 26045 51 1 9 "Average Difference" C 42 0.644 0.170 0.629 26045 52 1 9 "Average Difference" CA 42 0.954 0.195 0.945 26045 53 1 9 "Average Difference" CB 32 5.012 -1.936 4.697 26045 54 1 9 "Average Difference" HN 41 0.401 -0.173 0.366 26045 55 1 10 "Average Difference" N 41 1.577 -0.325 1.563 26045 56 1 10 "Average Difference" HA 44 0.139 0.022 0.139 26045 57 1 10 "Average Difference" C 42 0.700 0.158 0.690 26045 58 1 10 "Average Difference" CA 42 1.110 0.218 1.102 26045 59 1 10 "Average Difference" CB 32 4.821 -1.811 4.540 26045 60 1 10 "Average Difference" HN 41 0.377 -0.161 0.345 26045 61 1 11 "Average Difference" N 41 1.833 -0.396 1.812 26045 62 1 11 "Average Difference" HA 44 0.137 -0.009 0.139 26045 63 1 11 "Average Difference" C 42 0.659 0.179 0.642 26045 64 1 11 "Average Difference" CA 42 1.124 0.130 1.130 26045 65 1 11 "Average Difference" CB 32 4.912 -1.883 4.609 26045 66 1 11 "Average Difference" HN 41 0.373 -0.149 0.346 26045 67 1 12 "Average Difference" N 41 1.783 -0.429 1.752 26045 68 1 12 "Average Difference" HA 44 0.145 -0.010 0.146 26045 69 1 12 "Average Difference" C 42 0.748 0.344 0.672 26045 70 1 12 "Average Difference" CA 42 1.128 0.258 1.111 26045 71 1 12 "Average Difference" CB 32 5.002 -1.970 4.671 26045 72 1 12 "Average Difference" HN 41 0.351 -0.104 0.340 26045 73 1 13 "Average Difference" N 41 1.383 -0.222 1.382 26045 74 1 13 "Average Difference" HA 44 0.133 0.003 0.135 26045 75 1 13 "Average Difference" C 42 0.660 0.234 0.625 26045 76 1 13 "Average Difference" CA 42 1.111 0.361 1.064 26045 77 1 13 "Average Difference" CB 32 5.004 -1.940 4.687 26045 78 1 13 "Average Difference" HN 41 0.352 -0.146 0.324 26045 79 1 14 "Average Difference" N 41 1.696 -0.197 1.705 26045 80 1 14 "Average Difference" HA 44 0.159 0.001 0.160 26045 81 1 14 "Average Difference" C 42 0.633 0.095 0.634 26045 82 1 14 "Average Difference" CA 42 1.002 0.109 1.008 26045 83 1 14 "Average Difference" CB 32 4.907 -1.838 4.622 26045 84 1 14 "Average Difference" HN 41 0.342 -0.122 0.323 26045 85 1 15 "Average Difference" N 41 1.550 -0.303 1.539 26045 86 1 15 "Average Difference" HA 44 0.158 0.019 0.158 26045 87 1 15 "Average Difference" C 42 0.610 0.144 0.600 26045 88 1 15 "Average Difference" CA 42 1.142 0.162 1.144 26045 89 1 15 "Average Difference" CB 32 4.894 -1.897 4.584 26045 90 1 15 "Average Difference" HN 41 0.359 -0.141 0.334 26045 91 1 16 "Average Difference" N 41 1.353 0.053 1.368 26045 92 1 16 "Average Difference" HA 44 0.177 -0.006 0.179 26045 93 1 16 "Average Difference" C 42 0.646 0.067 0.650 26045 94 1 16 "Average Difference" CA 42 1.057 0.088 1.066 26045 95 1 16 "Average Difference" CB 32 4.820 -1.780 4.551 26045 96 1 16 "Average Difference" HN 41 0.304 -0.106 0.289 26045 97 1 17 "Average Difference" N 41 1.632 -0.332 1.618 26045 98 1 17 "Average Difference" HA 44 0.180 0.005 0.182 26045 99 1 17 "Average Difference" C 42 0.685 0.071 0.690 26045 100 1 17 "Average Difference" CA 42 1.047 0.171 1.045 26045 101 1 17 "Average Difference" CB 32 4.782 -1.812 4.496 26045 102 1 17 "Average Difference" HN 41 0.371 -0.133 0.350 26045 103 1 18 "Average Difference" N 41 1.597 -0.163 1.609 26045 104 1 18 "Average Difference" HA 44 0.134 0.000 0.136 26045 105 1 18 "Average Difference" C 42 0.695 0.266 0.650 26045 106 1 18 "Average Difference" CA 42 1.128 0.214 1.120 26045 107 1 18 "Average Difference" CB 32 4.898 -1.949 4.566 26045 108 1 18 "Average Difference" HN 41 0.339 -0.139 0.313 26045 109 1 19 "Average Difference" N 41 1.698 -0.350 1.682 26045 110 1 19 "Average Difference" HA 44 0.179 -0.001 0.181 26045 111 1 19 "Average Difference" C 42 0.674 -0.050 0.681 26045 112 1 19 "Average Difference" CA 42 0.964 0.041 0.975 26045 113 1 19 "Average Difference" CB 32 4.741 -1.757 4.474 26045 114 1 19 "Average Difference" HN 41 0.382 -0.206 0.326 26045 115 1 20 "Average Difference" N 41 1.644 -0.498 1.586 26045 116 1 20 "Average Difference" HA 44 0.177 0.004 0.179 26045 117 1 20 "Average Difference" C 42 0.619 0.142 0.610 26045 118 1 20 "Average Difference" CA 42 1.264 0.206 1.262 26045 119 1 20 "Average Difference" CB 32 4.940 -1.816 4.668 26045 120 1 20 "Average Difference" HN 41 0.385 -0.147 0.361 26045 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 26045 _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 PRO HA H 2 4.501 4.501 4.441 0.060 26045 2 1 . 1 1 2 2 PRO C C 2 178.016 178.016 176.458 1.558 26045 3 1 . 1 1 2 2 PRO CA C 2 64.811 64.811 63.636 1.175 26045 4 1 . 1 1 2 2 PRO CB C 2 32.260 32.260 31.441 0.819 26045 5 1 . 1 1 3 3 CYS N N 3 117.098 117.098 116.697 0.401 26045 6 1 . 1 1 3 3 CYS HA H 3 4.510 4.510 4.496 0.014 26045 7 1 . 1 1 3 3 CYS C C 3 176.295 176.295 175.972 0.323 26045 8 1 . 1 1 3 3 CYS CA C 3 57.465 57.465 58.827 -1.362 26045 9 1 . 1 1 3 3 CYS CB C 3 39.971 39.971 26.683 13.288 26045 10 1 . 1 1 3 3 CYS H H 3 9.130 9.130 8.284 0.846 26045 11 1 . 1 1 4 4 GLU N N 4 121.091 121.091 121.494 -0.403 26045 12 1 . 1 1 4 4 GLU HA H 4 4.074 4.074 4.013 0.061 26045 13 1 . 1 1 4 4 GLU C C 4 178.196 178.196 177.926 0.270 26045 14 1 . 1 1 4 4 GLU CA C 4 59.542 59.542 59.522 0.020 26045 15 1 . 1 1 4 4 GLU H H 4 8.177 8.177 8.523 -0.346 26045 16 1 . 1 1 5 5 ASP N N 5 119.768 119.768 119.658 0.110 26045 17 1 . 1 1 5 5 ASP HA H 5 4.461 4.461 4.426 0.035 26045 18 1 . 1 1 5 5 ASP C C 5 178.273 178.273 178.324 -0.051 26045 19 1 . 1 1 5 5 ASP CA C 5 56.425 56.425 57.269 -0.844 26045 20 1 . 1 1 5 5 ASP CB C 5 40.172 40.172 40.240 -0.068 26045 21 1 . 1 1 5 5 ASP H H 5 8.064 8.064 8.281 -0.217 26045 22 1 . 1 1 6 6 LEU N N 6 121.053 121.053 120.324 0.729 26045 23 1 . 1 1 6 6 LEU HA H 6 4.028 4.028 4.050 -0.022 26045 24 1 . 1 1 6 6 LEU C C 6 177.811 177.811 178.195 -0.384 26045 25 1 . 1 1 6 6 LEU CA C 6 57.926 57.926 57.717 0.209 26045 26 1 . 1 1 6 6 LEU CB C 6 41.879 41.879 41.978 -0.099 26045 27 1 . 1 1 6 6 LEU H H 6 7.785 7.785 7.810 -0.025 26045 28 1 . 1 1 7 7 LYS N N 7 117.877 117.877 118.965 -1.088 26045 29 1 . 1 1 7 7 LYS HA H 7 3.795 3.795 3.917 -0.123 26045 30 1 . 1 1 7 7 LYS C C 7 178.710 178.710 178.775 -0.065 26045 31 1 . 1 1 7 7 LYS CA C 7 60.304 60.304 59.555 0.749 26045 32 1 . 1 1 7 7 LYS CB C 7 32.284 32.284 32.210 0.074 26045 33 1 . 1 1 7 7 LYS H H 7 7.995 7.995 8.035 -0.040 26045 34 1 . 1 1 8 8 GLU N N 8 117.399 117.399 118.179 -0.780 26045 35 1 . 1 1 8 8 GLU HA H 8 4.097 4.097 4.107 -0.010 26045 36 1 . 1 1 8 8 GLU C C 8 178.916 178.916 179.208 -0.292 26045 37 1 . 1 1 8 8 GLU CA C 8 58.689 58.689 58.820 -0.131 26045 38 1 . 1 1 8 8 GLU H H 8 7.760 7.760 7.981 -0.221 26045 39 1 . 1 1 9 9 ARG N N 9 120.362 120.362 119.991 0.371 26045 40 1 . 1 1 9 9 ARG HA H 9 4.058 4.058 4.107 -0.049 26045 41 1 . 1 1 9 9 ARG C C 9 178.967 178.967 178.921 0.046 26045 42 1 . 1 1 9 9 ARG CA C 9 59.329 59.329 59.005 0.324 26045 43 1 . 1 1 9 9 ARG CB C 9 30.356 30.356 30.053 0.303 26045 44 1 . 1 1 9 9 ARG H H 9 7.996 7.996 7.643 0.353 26045 45 1 . 1 1 10 10 LEU N N 10 117.258 117.258 119.369 -2.111 26045 46 1 . 1 1 10 10 LEU HA H 10 4.086 4.086 4.027 0.059 26045 47 1 . 1 1 10 10 LEU C C 10 177.566 177.566 178.754 -1.188 26045 48 1 . 1 1 10 10 LEU CA C 10 57.122 57.122 57.892 -0.770 26045 49 1 . 1 1 10 10 LEU CB C 10 41.386 41.386 41.518 -0.132 26045 50 1 . 1 1 10 10 LEU H H 10 8.341 8.341 7.842 0.499 26045 51 1 . 1 1 11 11 LYS N N 11 119.034 119.034 116.850 2.184 26045 52 1 . 1 1 11 11 LYS HA H 11 4.039 4.039 4.051 -0.012 26045 53 1 . 1 1 11 11 LYS C C 11 178.736 178.736 178.761 -0.025 26045 54 1 . 1 1 11 11 LYS CA C 11 59.135 59.135 59.025 0.110 26045 55 1 . 1 1 11 11 LYS H H 11 7.707 7.707 7.614 0.093 26045 56 1 . 1 1 12 12 LYS N N 12 119.013 119.013 119.498 -0.485 26045 57 1 . 1 1 12 12 LYS HA H 12 4.188 4.188 4.125 0.063 26045 58 1 . 1 1 12 12 LYS C C 12 178.960 178.960 178.932 0.028 26045 59 1 . 1 1 12 12 LYS CA C 12 57.815 57.815 58.406 -0.591 26045 60 1 . 1 1 12 12 LYS H H 12 7.709 7.709 7.693 0.016 26045 61 1 . 1 1 13 13 LEU N N 13 119.078 119.078 117.389 1.689 26045 62 1 . 1 1 13 13 LEU HA H 13 4.310 4.310 4.256 0.054 26045 63 1 . 1 1 13 13 LEU C C 13 177.606 177.606 177.222 0.384 26045 64 1 . 1 1 13 13 LEU CA C 13 55.418 55.418 55.174 0.244 26045 65 1 . 1 1 13 13 LEU CB C 13 42.881 42.881 42.739 0.142 26045 66 1 . 1 1 13 13 LEU H H 13 7.705 7.705 7.869 -0.164 26045 67 1 . 1 1 14 14 GLY N N 14 108.342 108.342 107.688 0.654 26045 68 1 . 1 1 14 14 GLY C C 14 174.367 174.367 174.689 -0.322 26045 69 1 . 1 1 14 14 GLY CA C 14 45.958 45.958 45.432 0.526 26045 70 1 . 1 1 14 14 GLY H H 14 8.107 8.107 7.575 0.532 26045 71 1 . 1 1 15 15 MET N N 15 119.054 119.054 116.787 2.267 26045 72 1 . 1 1 15 15 MET HA H 15 4.512 4.512 4.719 -0.207 26045 73 1 . 1 1 15 15 MET C C 15 175.916 175.916 175.882 0.034 26045 74 1 . 1 1 15 15 MET CA C 15 55.467 55.467 55.166 0.301 26045 75 1 . 1 1 15 15 MET CB C 15 34.560 34.560 33.964 0.596 26045 76 1 . 1 1 15 15 MET H H 15 7.686 7.686 7.554 0.132 26045 77 1 . 1 1 16 16 SER N N 16 120.057 120.057 116.090 3.968 26045 78 1 . 1 1 16 16 SER HA H 16 4.400 4.400 4.446 -0.046 26045 79 1 . 1 1 16 16 SER C C 16 174.742 174.742 175.783 -1.041 26045 80 1 . 1 1 16 16 SER CA C 16 57.747 57.747 58.510 -0.763 26045 81 1 . 1 1 16 16 SER CB C 16 64.785 64.785 63.966 0.819 26045 82 1 . 1 1 16 16 SER H H 16 8.948 8.948 8.472 0.476 26045 83 1 . 1 1 17 17 GLU N N 17 123.142 123.142 124.969 -1.827 26045 84 1 . 1 1 17 17 GLU HA H 17 3.991 3.991 3.938 0.053 26045 85 1 . 1 1 17 17 GLU C C 17 178.556 178.556 178.478 0.078 26045 86 1 . 1 1 17 17 GLU CA C 17 59.710 59.710 59.982 -0.272 26045 87 1 . 1 1 17 17 GLU CB C 17 29.226 29.226 29.602 -0.376 26045 88 1 . 1 1 17 17 GLU H H 17 9.035 9.035 8.967 0.068 26045 89 1 . 1 1 18 18 GLU N N 18 118.705 118.705 119.579 -0.874 26045 90 1 . 1 1 18 18 GLU HA H 18 4.029 4.029 4.161 -0.132 26045 91 1 . 1 1 18 18 GLU C C 18 179.173 179.173 178.463 0.710 26045 92 1 . 1 1 18 18 GLU CA C 18 59.921 59.921 59.061 0.860 26045 93 1 . 1 1 18 18 GLU CB C 18 28.980 28.980 29.391 -0.412 26045 94 1 . 1 1 18 18 GLU H H 18 8.790 8.790 8.623 0.167 26045 95 1 . 1 1 19 19 CYS N N 19 118.720 118.720 118.740 -0.020 26045 96 1 . 1 1 19 19 CYS HA H 19 4.291 4.291 4.216 0.075 26045 97 1 . 1 1 19 19 CYS C C 19 176.295 176.295 177.353 -1.058 26045 98 1 . 1 1 19 19 CYS CA C 19 59.285 59.285 62.112 -2.827 26045 99 1 . 1 1 19 19 CYS CB C 19 40.375 40.375 26.271 14.104 26045 100 1 . 1 1 19 19 CYS H H 19 7.875 7.875 7.975 -0.100 26045 101 1 . 1 1 20 20 ARG N N 20 120.027 120.027 119.531 0.496 26045 102 1 . 1 1 20 20 ARG HA H 20 3.854 3.854 3.970 -0.116 26045 103 1 . 1 1 20 20 ARG C C 20 178.633 178.633 179.093 -0.460 26045 104 1 . 1 1 20 20 ARG CA C 20 60.628 60.628 59.467 1.161 26045 105 1 . 1 1 20 20 ARG CB C 20 29.851 29.851 29.298 0.553 26045 106 1 . 1 1 20 20 ARG H H 20 8.507 8.507 7.851 0.656 26045 107 1 . 1 1 21 21 GLN N N 21 117.558 117.558 118.029 -0.471 26045 108 1 . 1 1 21 21 GLN HA H 21 4.024 4.024 4.100 -0.076 26045 109 1 . 1 1 21 21 GLN C C 21 179.122 179.122 178.754 0.368 26045 110 1 . 1 1 21 21 GLN CA C 21 59.044 59.044 58.677 0.367 26045 111 1 . 1 1 21 21 GLN CB C 21 28.281 28.281 28.405 -0.124 26045 112 1 . 1 1 21 21 GLN H H 21 8.379 8.379 7.849 0.530 26045 113 1 . 1 1 22 22 ARG N N 22 120.355 120.355 119.771 0.584 26045 114 1 . 1 1 22 22 ARG HA H 22 4.059 4.059 4.102 -0.043 26045 115 1 . 1 1 22 22 ARG C C 22 178.967 178.967 178.732 0.235 26045 116 1 . 1 1 22 22 ARG CA C 22 59.416 59.416 59.206 0.210 26045 117 1 . 1 1 22 22 ARG H H 22 7.859 7.859 7.757 0.102 26045 118 1 . 1 1 23 23 LEU N N 23 120.539 120.539 120.017 0.522 26045 119 1 . 1 1 23 23 LEU HA H 23 4.048 4.048 4.036 0.012 26045 120 1 . 1 1 23 23 LEU C C 23 178.890 178.890 178.867 0.023 26045 121 1 . 1 1 23 23 LEU CA C 23 58.018 58.018 57.808 0.210 26045 122 1 . 1 1 23 23 LEU CB C 23 41.428 41.428 41.655 -0.227 26045 123 1 . 1 1 23 23 LEU H H 23 8.332 8.332 8.065 0.267 26045 124 1 . 1 1 24 24 GLU N N 24 119.377 119.377 118.688 0.689 26045 125 1 . 1 1 24 24 GLU HA H 24 3.858 3.858 3.952 -0.094 26045 126 1 . 1 1 24 24 GLU C C 24 178.762 178.762 178.756 0.006 26045 127 1 . 1 1 24 24 GLU CA C 24 59.962 59.962 59.474 0.488 26045 128 1 . 1 1 24 24 GLU H H 24 8.296 8.296 8.418 -0.122 26045 129 1 . 1 1 25 25 LYS N N 25 118.971 118.971 119.743 -0.772 26045 130 1 . 1 1 25 25 LYS HA H 25 4.054 4.054 4.106 -0.052 26045 131 1 . 1 1 25 25 LYS C C 25 178.402 178.402 178.891 -0.489 26045 132 1 . 1 1 25 25 LYS CA C 25 59.370 59.370 59.070 0.300 26045 133 1 . 1 1 25 25 LYS CB C 25 32.595 32.595 32.241 0.354 26045 134 1 . 1 1 25 25 LYS H H 25 7.637 7.637 7.451 0.186 26045 135 1 . 1 1 26 26 MET N N 26 117.688 117.688 118.113 -0.425 26045 136 1 . 1 1 26 26 MET HA H 26 4.199 4.199 4.293 -0.094 26045 137 1 . 1 1 26 26 MET C C 26 178.222 178.222 178.410 -0.188 26045 138 1 . 1 1 26 26 MET CA C 26 58.414 58.414 58.036 0.377 26045 139 1 . 1 1 26 26 MET CB C 26 33.182 33.182 31.970 1.212 26045 140 1 . 1 1 26 26 MET H H 26 7.953 7.953 8.029 -0.076 26045 141 1 . 1 1 27 27 CYS N N 27 117.669 117.669 117.971 -0.302 26045 142 1 . 1 1 27 27 CYS HA H 27 4.292 4.292 4.248 0.044 26045 143 1 . 1 1 27 27 CYS C C 27 176.218 176.218 176.671 -0.453 26045 144 1 . 1 1 27 27 CYS CA C 27 59.277 59.277 61.131 -1.854 26045 145 1 . 1 1 27 27 CYS CB C 27 40.302 40.302 26.415 13.887 26045 146 1 . 1 1 27 27 CYS H H 27 8.264 8.264 7.993 0.271 26045 147 1 . 1 1 28 28 LYS N N 28 120.893 120.893 118.674 2.219 26045 148 1 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.198 -0.014 26045 149 1 . 1 1 28 28 LYS C C 28 177.862 177.862 178.380 -0.518 26045 150 1 . 1 1 28 28 LYS CA C 28 58.415 58.415 58.322 0.093 26045 151 1 . 1 1 28 28 LYS CB C 28 33.096 33.096 32.822 0.275 26045 152 1 . 1 1 28 28 LYS H H 28 7.983 7.983 7.694 0.289 26045 153 1 . 1 1 29 29 GLU N N 29 117.203 117.203 118.488 -1.285 26045 154 1 . 1 1 29 29 GLU HA H 29 4.364 4.364 4.320 0.044 26045 155 1 . 1 1 29 29 GLU C C 29 176.937 176.937 176.730 0.207 26045 156 1 . 1 1 29 29 GLU CA C 29 56.783 56.783 56.864 -0.081 26045 157 1 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.927 0.413 26045 158 1 . 1 1 29 29 GLU H H 29 8.110 8.110 8.066 0.045 26045 159 1 . 1 1 30 30 GLY N N 30 109.260 109.260 108.894 0.366 26045 160 1 . 1 1 30 30 GLY C C 30 174.162 174.162 173.479 0.683 26045 161 1 . 1 1 30 30 GLY CA C 30 45.496 45.496 45.069 0.427 26045 162 1 . 1 1 30 30 GLY H H 30 7.990 7.990 7.764 0.226 26045 163 1 . 1 1 31 31 THR N N 31 113.648 113.648 113.205 0.443 26045 164 1 . 1 1 31 31 THR HA H 31 4.594 4.594 4.699 -0.105 26045 165 1 . 1 1 31 31 THR C C 31 175.035 175.035 175.307 -0.272 26045 166 1 . 1 1 31 31 THR CA C 31 60.974 60.974 60.511 0.463 26045 167 1 . 1 1 31 31 THR CB C 31 70.524 70.524 71.821 -1.297 26045 168 1 . 1 1 31 31 THR H H 31 8.257 8.257 8.001 0.256 26045 169 1 . 1 1 32 32 SER N N 32 118.066 118.066 118.364 -0.298 26045 170 1 . 1 1 32 32 SER HA H 32 4.360 4.360 4.128 0.232 26045 171 1 . 1 1 32 32 SER C C 32 175.472 175.472 176.087 -0.614 26045 172 1 . 1 1 32 32 SER CA C 32 59.857 59.857 61.643 -1.786 26045 173 1 . 1 1 32 32 SER CB C 32 63.485 63.485 63.172 0.313 26045 174 1 . 1 1 32 32 SER H H 32 8.633 8.633 8.850 -0.217 26045 175 1 . 1 1 33 33 GLU N N 33 122.577 122.577 121.689 0.888 26045 176 1 . 1 1 33 33 GLU HA H 33 4.209 4.209 4.162 0.047 26045 177 1 . 1 1 33 33 GLU C C 33 177.528 177.528 178.191 -0.663 26045 178 1 . 1 1 33 33 GLU CA C 33 58.406 58.406 59.227 -0.822 26045 179 1 . 1 1 33 33 GLU CB C 33 29.788 29.788 29.109 0.679 26045 180 1 . 1 1 33 33 GLU H H 33 8.532 8.532 8.468 0.064 26045 181 1 . 1 1 34 34 ASP N N 34 120.121 120.121 119.755 0.366 26045 182 1 . 1 1 34 34 ASP HA H 34 4.487 4.487 4.462 0.025 26045 183 1 . 1 1 34 34 ASP C C 34 177.605 177.605 177.947 -0.342 26045 184 1 . 1 1 34 34 ASP CA C 34 55.826 55.826 57.000 -1.174 26045 185 1 . 1 1 34 34 ASP CB C 34 40.979 40.979 40.744 0.235 26045 186 1 . 1 1 34 34 ASP H H 34 8.122 8.122 7.732 0.390 26045 187 1 . 1 1 35 35 ALA N N 35 123.997 123.997 122.431 1.566 26045 188 1 . 1 1 35 35 ALA HA H 35 4.009 4.009 4.058 -0.049 26045 189 1 . 1 1 35 35 ALA C C 35 178.890 178.890 179.337 -0.447 26045 190 1 . 1 1 35 35 ALA CA C 35 55.190 55.190 55.093 0.097 26045 191 1 . 1 1 35 35 ALA CB C 35 18.819 18.819 18.585 0.234 26045 192 1 . 1 1 35 35 ALA H H 35 8.107 8.107 7.574 0.533 26045 193 1 . 1 1 36 36 GLU N N 36 117.393 117.393 117.513 -0.120 26045 194 1 . 1 1 36 36 GLU HA H 36 3.917 3.917 3.947 -0.030 26045 195 1 . 1 1 36 36 GLU C C 36 178.505 178.505 178.576 -0.071 26045 196 1 . 1 1 36 36 GLU CA C 36 59.356 59.356 58.792 0.564 26045 197 1 . 1 1 36 36 GLU H H 36 8.353 8.353 8.247 0.106 26045 198 1 . 1 1 37 37 ARG N N 37 118.853 118.853 120.470 -1.617 26045 199 1 . 1 1 37 37 ARG HA H 37 4.030 4.030 4.104 -0.074 26045 200 1 . 1 1 37 37 ARG C C 37 178.556 178.556 178.570 -0.014 26045 201 1 . 1 1 37 37 ARG CA C 37 58.705 58.705 58.829 -0.124 26045 202 1 . 1 1 37 37 ARG CB C 37 30.225 30.225 30.087 0.138 26045 203 1 . 1 1 37 37 ARG H H 37 7.779 7.779 7.621 0.158 26045 204 1 . 1 1 38 38 MET N N 38 118.299 118.299 116.258 2.041 26045 205 1 . 1 1 38 38 MET HA H 38 4.231 4.231 4.394 -0.163 26045 206 1 . 1 1 38 38 MET C C 38 177.811 177.811 178.102 -0.291 26045 207 1 . 1 1 38 38 MET CA C 38 57.445 57.445 56.407 1.038 26045 208 1 . 1 1 38 38 MET CB C 38 32.313 32.313 31.884 0.429 26045 209 1 . 1 1 38 38 MET H H 38 7.960 7.960 7.832 0.128 26045 210 1 . 1 1 39 39 ALA N N 39 121.698 121.698 122.344 -0.646 26045 211 1 . 1 1 39 39 ALA HA H 39 4.063 4.063 4.106 -0.043 26045 212 1 . 1 1 39 39 ALA C C 39 178.813 178.813 179.264 -0.451 26045 213 1 . 1 1 39 39 ALA CA C 39 54.480 54.480 54.837 -0.357 26045 214 1 . 1 1 39 39 ALA CB C 39 18.610 18.610 18.695 -0.085 26045 215 1 . 1 1 39 39 ALA H H 39 8.125 8.125 7.894 0.231 26045 216 1 . 1 1 40 40 ARG N N 40 116.657 116.657 116.757 -0.101 26045 217 1 . 1 1 40 40 ARG HA H 40 4.174 4.174 4.176 -0.002 26045 218 1 . 1 1 40 40 ARG C C 40 177.220 177.220 177.205 0.015 26045 219 1 . 1 1 40 40 ARG CA C 40 57.811 57.811 58.120 -0.309 26045 220 1 . 1 1 40 40 ARG CB C 40 30.121 30.121 29.933 0.187 26045 221 1 . 1 1 40 40 ARG H H 40 7.738 7.738 7.883 -0.145 26045 222 1 . 1 1 41 41 ASN N N 41 116.193 116.193 115.798 0.396 26045 223 1 . 1 1 41 41 ASN HA H 41 4.734 4.734 4.748 -0.014 26045 224 1 . 1 1 41 41 ASN C C 41 175.369 175.369 175.608 -0.239 26045 225 1 . 1 1 41 41 ASN CA C 41 53.837 53.837 54.132 -0.295 26045 226 1 . 1 1 41 41 ASN CB C 41 39.136 39.136 39.164 -0.028 26045 227 1 . 1 1 41 41 ASN H H 41 7.896 7.896 7.823 0.073 26045 228 1 . 1 1 42 42 CYS N N 42 118.352 118.352 119.332 -0.980 26045 229 1 . 1 1 42 42 CYS HA H 42 4.563 4.563 4.363 0.200 26045 230 1 . 1 1 42 42 CYS C C 42 174.213 174.213 175.470 -1.257 26045 231 1 . 1 1 42 42 CYS CA C 42 57.045 57.045 60.722 -3.677 26045 232 1 . 1 1 42 42 CYS CB C 42 41.719 41.719 27.705 14.014 26045 233 1 . 1 1 42 42 CYS H H 42 7.997 7.997 7.910 0.087 26045 234 1 . 1 1 43 43 GLU N N 43 122.347 122.347 118.455 3.892 26045 235 1 . 1 1 43 43 GLU HA H 43 4.397 4.397 4.318 0.079 26045 236 1 . 1 1 43 43 GLU C C 43 175.369 175.369 176.137 -0.768 26045 237 1 . 1 1 43 43 GLU CA C 43 56.708 56.708 56.654 0.054 26045 238 1 . 1 1 43 43 GLU H H 43 8.307 8.307 8.302 0.005 26045 stop_ save_