data_25834 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25834 _Entry.PDB_ID 2N84 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 25834 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 1 1 MET N N 1 121.215 121.215 118.371 2.844 25834 2 1 1 . 1 1 1 1 MET HA H 1 4.416 4.416 4.252 0.164 25834 3 1 1 . 1 1 1 1 MET C C 1 176.061 176.061 174.438 1.623 25834 4 1 1 . 1 1 1 1 MET CA C 1 55.827 55.827 55.502 0.325 25834 5 1 1 . 1 1 1 1 MET CB C 1 32.869 32.869 31.895 0.974 25834 6 1 1 . 1 1 1 1 MET H H 1 8.477 8.477 7.928 0.549 25834 7 1 1 . 1 1 2 2 VAL N N 2 122.483 122.483 120.091 2.392 25834 8 1 1 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.300 -0.133 25834 9 1 1 . 1 1 2 2 VAL C C 2 176.225 176.225 175.513 0.712 25834 10 1 1 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.181 -0.026 25834 11 1 1 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.022 0.833 25834 12 1 1 . 1 1 2 2 VAL H H 2 8.213 8.213 7.891 0.322 25834 13 1 1 . 1 1 3 3 THR N N 3 117.952 117.952 118.569 -0.617 25834 14 1 1 . 1 1 3 3 THR HA H 3 4.353 4.353 4.615 -0.262 25834 15 1 1 . 1 1 3 3 THR C C 3 174.614 174.614 174.323 0.291 25834 16 1 1 . 1 1 3 3 THR CA C 3 61.571 61.571 61.607 -0.036 25834 17 1 1 . 1 1 3 3 THR CB C 3 69.948 69.948 69.696 0.252 25834 18 1 1 . 1 1 3 3 THR H H 3 8.228 8.228 8.467 -0.239 25834 19 1 1 . 1 1 4 4 SER N N 4 118.076 118.076 120.674 -2.598 25834 20 1 1 . 1 1 4 4 SER HA H 4 4.490 4.490 4.503 -0.013 25834 21 1 1 . 1 1 4 4 SER C C 4 174.867 174.867 175.386 -0.519 25834 22 1 1 . 1 1 4 4 SER CA C 4 58.451 58.451 58.771 -0.320 25834 23 1 1 . 1 1 4 4 SER CB C 4 63.853 63.853 63.851 0.002 25834 24 1 1 . 1 1 4 4 SER H H 4 8.350 8.350 8.470 -0.120 25834 25 1 1 . 1 1 5 5 THR N N 5 115.176 115.176 115.691 -0.515 25834 26 1 1 . 1 1 5 5 THR HA H 5 4.277 4.277 4.405 -0.128 25834 27 1 1 . 1 1 5 5 THR C C 5 175.173 175.173 175.487 -0.314 25834 28 1 1 . 1 1 5 5 THR CA C 5 62.114 62.114 61.631 0.483 25834 29 1 1 . 1 1 5 5 THR CB C 5 69.702 69.702 69.324 0.378 25834 30 1 1 . 1 1 5 5 THR H H 5 8.125 8.125 8.262 -0.137 25834 31 1 1 . 1 1 6 6 GLY N N 6 110.725 110.725 110.804 -0.079 25834 32 1 1 . 1 1 6 6 GLY C C 6 173.939 173.939 174.305 -0.366 25834 33 1 1 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.404 -0.151 25834 34 1 1 . 1 1 6 6 GLY H H 6 8.289 8.289 8.113 0.176 25834 35 1 1 . 1 1 7 7 LEU N N 7 121.627 121.627 121.574 0.053 25834 36 1 1 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.411 -0.165 25834 37 1 1 . 1 1 7 7 LEU C C 7 177.317 177.317 177.603 -0.286 25834 38 1 1 . 1 1 7 7 LEU CA C 7 55.509 55.509 54.467 1.042 25834 39 1 1 . 1 1 7 7 LEU CB C 7 42.507 42.507 42.433 0.074 25834 40 1 1 . 1 1 7 7 LEU H H 7 7.984 7.984 7.663 0.321 25834 41 1 1 . 1 1 8 8 LEU N N 8 122.317 122.317 123.378 -1.061 25834 42 1 1 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.467 -0.163 25834 43 1 1 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.843 0.446 25834 44 1 1 . 1 1 8 8 LEU CB C 8 42.314 42.314 43.147 -0.833 25834 45 1 1 . 1 1 8 8 LEU H H 8 8.163 8.163 8.333 -0.170 25834 46 1 1 . 1 1 9 9 SER N N 9 116.218 116.218 118.789 -2.571 25834 47 1 1 . 1 1 9 9 SER HA H 9 4.315 4.315 4.390 -0.075 25834 48 1 1 . 1 1 9 9 SER CA C 9 58.253 58.253 58.196 0.057 25834 49 1 1 . 1 1 9 9 SER CB C 9 63.786 63.786 64.126 -0.340 25834 50 1 1 . 1 1 9 9 SER H H 9 8.088 8.088 8.252 -0.164 25834 51 1 1 . 1 1 10 10 ARG N N 10 122.939 122.939 120.308 2.631 25834 52 1 1 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.596 -0.291 25834 53 1 1 . 1 1 10 10 ARG C C 10 177.734 177.734 175.324 2.410 25834 54 1 1 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.371 0.918 25834 55 1 1 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.198 -0.607 25834 56 1 1 . 1 1 10 10 ARG H H 10 8.211 8.211 8.376 -0.165 25834 57 1 1 . 1 1 11 11 VAL N N 11 120.980 120.980 121.279 -0.299 25834 58 1 1 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.229 -0.224 25834 59 1 1 . 1 1 11 11 VAL C C 11 175.793 175.793 175.772 0.021 25834 60 1 1 . 1 1 11 11 VAL CA C 11 62.353 62.353 61.041 1.312 25834 61 1 1 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.877 -1.208 25834 62 1 1 . 1 1 11 11 VAL H H 11 8.006 8.006 8.373 -0.367 25834 63 1 1 . 1 1 12 12 ALA N N 12 127.736 127.736 129.109 -1.373 25834 64 1 1 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.249 -0.017 25834 65 1 1 . 1 1 12 12 ALA C C 12 177.174 177.174 176.490 0.684 25834 66 1 1 . 1 1 12 12 ALA CA C 12 52.429 52.429 52.147 0.282 25834 67 1 1 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.388 -0.161 25834 68 1 1 . 1 1 12 12 ALA H H 12 8.246 8.246 8.097 0.149 25834 69 1 1 . 1 1 13 13 ALA N N 13 123.061 123.061 123.105 -0.044 25834 70 1 1 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.528 -0.291 25834 71 1 1 . 1 1 13 13 ALA C C 13 177.800 177.800 176.948 0.852 25834 72 1 1 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.395 1.050 25834 73 1 1 . 1 1 13 13 ALA CB C 13 19.115 19.115 19.930 -0.815 25834 74 1 1 . 1 1 13 13 ALA H H 13 8.158 8.158 8.111 0.047 25834 75 1 1 . 1 1 14 14 VAL N N 14 119.391 119.391 121.410 -2.019 25834 76 1 1 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.173 -0.173 25834 77 1 1 . 1 1 14 14 VAL C C 14 176.284 176.284 175.510 0.774 25834 78 1 1 . 1 1 14 14 VAL CA C 14 62.337 62.337 61.283 1.054 25834 79 1 1 . 1 1 14 14 VAL CB C 14 32.739 32.739 32.688 0.051 25834 80 1 1 . 1 1 14 14 VAL H H 14 7.988 7.988 8.230 -0.242 25834 81 1 1 . 1 1 15 15 GLU N N 15 124.744 124.744 127.274 -2.530 25834 82 1 1 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.211 -0.011 25834 83 1 1 . 1 1 15 15 GLU C C 15 176.542 176.542 175.533 1.009 25834 84 1 1 . 1 1 15 15 GLU CA C 15 56.541 56.541 56.831 -0.290 25834 85 1 1 . 1 1 15 15 GLU CB C 15 30.528 30.528 28.967 1.561 25834 86 1 1 . 1 1 15 15 GLU H H 15 8.369 8.369 8.601 -0.232 25834 87 1 1 . 1 1 16 16 LYS N N 16 122.786 122.786 121.695 1.091 25834 88 1 1 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.759 -0.562 25834 89 1 1 . 1 1 16 16 LYS C C 16 176.218 176.218 175.295 0.923 25834 90 1 1 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.360 0.893 25834 91 1 1 . 1 1 16 16 LYS CB C 16 32.898 32.898 34.565 -1.667 25834 92 1 1 . 1 1 16 16 LYS H H 16 8.264 8.264 8.454 -0.190 25834 93 1 1 . 1 1 17 17 ALA N N 17 125.458 125.458 123.135 2.323 25834 94 1 1 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.704 -0.520 25834 95 1 1 . 1 1 17 17 ALA C C 17 177.579 177.579 175.621 1.958 25834 96 1 1 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.568 0.948 25834 97 1 1 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.101 -0.996 25834 98 1 1 . 1 1 17 17 ALA H H 17 8.226 8.226 8.382 -0.156 25834 99 1 1 . 1 1 18 18 ALA N N 18 123.616 123.616 122.538 1.078 25834 100 1 1 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.780 -0.556 25834 101 1 1 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.757 0.763 25834 102 1 1 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.941 -1.814 25834 103 1 1 . 1 1 18 18 ALA H H 18 8.153 8.153 8.216 -0.063 25834 104 1 1 . 1 1 19 19 GLU N N 19 120.282 120.282 121.980 -1.698 25834 105 1 1 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.520 -0.321 25834 106 1 1 . 1 1 19 19 GLU CA C 19 56.370 56.370 55.898 0.472 25834 107 1 1 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.276 0.361 25834 108 1 1 . 1 1 19 19 GLU H H 19 8.209 8.209 8.592 -0.383 25834 109 1 1 . 1 1 20 20 ILE N N 20 122.046 122.046 126.031 -3.985 25834 110 1 1 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.320 -0.260 25834 111 1 1 . 1 1 20 20 ILE C C 20 175.806 175.806 176.113 -0.307 25834 112 1 1 . 1 1 20 20 ILE CA C 20 60.980 60.980 60.636 0.344 25834 113 1 1 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.035 0.654 25834 114 1 1 . 1 1 20 20 ILE H H 20 8.038 8.038 8.632 -0.594 25834 115 1 1 . 1 1 21 21 ALA N N 21 128.175 128.175 131.918 -3.743 25834 116 1 1 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.389 -0.204 25834 117 1 1 . 1 1 21 21 ALA C C 21 175.942 175.942 176.932 -0.990 25834 118 1 1 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.809 0.638 25834 119 1 1 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.628 -0.331 25834 120 1 1 . 1 1 21 21 ALA H H 21 8.224 8.224 8.437 -0.213 25834 121 1 1 . 1 1 22 22 LYS N N 22 120.107 120.107 121.331 -1.224 25834 122 1 1 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.496 -0.269 25834 123 1 1 . 1 1 22 22 LYS C C 22 174.303 174.303 174.209 0.094 25834 124 1 1 . 1 1 22 22 LYS CA C 22 53.397 53.397 54.898 -1.501 25834 125 1 1 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.833 1.626 25834 126 1 1 . 1 1 22 22 LYS H H 22 7.903 7.903 8.410 -0.507 25834 127 1 1 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.428 -0.085 25834 128 1 1 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.771 -0.078 25834 129 1 1 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.507 -0.447 25834 130 1 1 . 1 1 27 27 LYS N N 27 121.752 121.752 119.266 2.486 25834 131 1 1 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.620 -0.406 25834 132 1 1 . 1 1 27 27 LYS C C 27 176.450 176.450 176.505 -0.055 25834 133 1 1 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.270 0.939 25834 134 1 1 . 1 1 27 27 LYS CB C 27 32.935 32.935 33.864 -0.929 25834 135 1 1 . 1 1 27 27 LYS H H 27 8.253 8.253 8.277 -0.024 25834 136 1 1 . 1 1 28 28 VAL N N 28 123.000 123.000 118.349 4.651 25834 137 1 1 . 1 1 28 28 VAL HA H 28 4.004 4.004 3.972 0.032 25834 138 1 1 . 1 1 28 28 VAL C C 28 175.672 175.672 176.137 -0.465 25834 139 1 1 . 1 1 28 28 VAL CA C 28 62.268 62.268 62.018 0.250 25834 140 1 1 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.369 0.513 25834 141 1 1 . 1 1 28 28 VAL H H 28 8.128 8.128 8.272 -0.144 25834 142 1 1 . 1 1 29 29 VAL N N 29 126.899 126.899 124.003 2.896 25834 143 1 1 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.165 -0.294 25834 144 1 1 . 1 1 29 29 VAL C C 29 174.835 174.835 175.440 -0.605 25834 145 1 1 . 1 1 29 29 VAL CA C 29 62.288 62.288 63.037 -0.749 25834 146 1 1 . 1 1 29 29 VAL CB C 29 32.811 32.811 30.999 1.812 25834 147 1 1 . 1 1 29 29 VAL H H 29 8.144 8.144 8.363 -0.219 25834 148 1 1 . 1 1 30 30 GLU N N 30 125.745 125.745 126.695 -0.950 25834 149 1 1 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.547 -0.360 25834 150 1 1 . 1 1 30 30 GLU C C 30 177.203 177.203 175.255 1.948 25834 151 1 1 . 1 1 30 30 GLU CA C 30 55.688 55.688 54.815 0.873 25834 152 1 1 . 1 1 30 30 GLU CB C 30 30.501 30.501 32.868 -2.367 25834 153 1 1 . 1 1 30 30 GLU H H 30 8.239 8.239 8.456 -0.217 25834 154 1 1 . 1 1 31 31 LEU N N 31 125.229 125.229 123.392 1.837 25834 155 1 1 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.265 0.562 25834 156 1 1 . 1 1 31 31 LEU C C 31 178.237 178.237 176.531 1.706 25834 157 1 1 . 1 1 31 31 LEU CA C 31 54.633 54.633 55.349 -0.716 25834 158 1 1 . 1 1 31 31 LEU CB C 31 43.356 43.356 41.212 2.143 25834 159 1 1 . 1 1 31 31 LEU H H 31 8.513 8.513 8.518 -0.005 25834 160 1 1 . 1 1 32 32 THR N N 32 113.162 113.162 116.336 -3.174 25834 161 1 1 . 1 1 32 32 THR HA H 32 4.184 4.184 4.662 -0.478 25834 162 1 1 . 1 1 32 32 THR C C 32 174.923 174.923 175.200 -0.277 25834 163 1 1 . 1 1 32 32 THR CA C 32 61.002 61.002 60.109 0.893 25834 164 1 1 . 1 1 32 32 THR CB C 32 70.848 70.848 71.470 -0.622 25834 165 1 1 . 1 1 32 32 THR H H 32 8.444 8.444 7.708 0.736 25834 166 1 1 . 1 1 33 33 GLU N N 33 119.849 119.849 120.651 -0.802 25834 167 1 1 . 1 1 33 33 GLU HA H 33 3.756 3.756 3.957 -0.201 25834 168 1 1 . 1 1 33 33 GLU C C 33 178.906 178.906 178.260 0.646 25834 169 1 1 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.207 0.648 25834 170 1 1 . 1 1 33 33 GLU CB C 33 28.903 28.903 28.671 0.232 25834 171 1 1 . 1 1 33 33 GLU H H 33 8.614 8.614 8.920 -0.306 25834 172 1 1 . 1 1 34 34 ALA N N 34 118.382 118.382 121.675 -3.293 25834 173 1 1 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.049 -0.079 25834 174 1 1 . 1 1 34 34 ALA C C 34 180.554 180.554 179.043 1.511 25834 175 1 1 . 1 1 34 34 ALA CA C 34 54.583 54.583 54.260 0.323 25834 176 1 1 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.069 0.707 25834 177 1 1 . 1 1 34 34 ALA H H 34 8.102 8.102 8.362 -0.260 25834 178 1 1 . 1 1 35 35 ALA N N 35 121.658 121.658 119.298 2.360 25834 179 1 1 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.098 -0.253 25834 180 1 1 . 1 1 35 35 ALA C C 35 178.231 178.231 179.682 -1.451 25834 181 1 1 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.584 -0.078 25834 182 1 1 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.561 0.584 25834 183 1 1 . 1 1 35 35 ALA H H 35 7.456 7.456 7.799 -0.343 25834 184 1 1 . 1 1 36 36 LYS N N 36 114.479 114.479 117.898 -3.419 25834 185 1 1 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.226 -0.370 25834 186 1 1 . 1 1 36 36 LYS C C 36 176.884 176.884 178.133 -1.249 25834 187 1 1 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.229 0.571 25834 188 1 1 . 1 1 36 36 LYS CB C 36 32.820 32.820 32.970 -0.150 25834 189 1 1 . 1 1 36 36 LYS H H 36 7.897 7.897 7.822 0.075 25834 190 1 1 . 1 1 37 37 GLN N N 37 114.203 114.203 118.649 -4.446 25834 191 1 1 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.393 -0.193 25834 192 1 1 . 1 1 37 37 GLN C C 37 176.478 176.478 175.251 1.227 25834 193 1 1 . 1 1 37 37 GLN CA C 37 55.119 55.119 54.946 0.173 25834 194 1 1 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.187 0.196 25834 195 1 1 . 1 1 37 37 GLN H H 37 6.970 6.970 7.710 -0.740 25834 196 1 1 . 1 1 38 38 LEU N N 38 120.478 120.478 122.044 -1.566 25834 197 1 1 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.225 -0.380 25834 198 1 1 . 1 1 38 38 LEU C C 38 171.820 171.820 176.424 -4.604 25834 199 1 1 . 1 1 38 38 LEU CA C 38 53.862 53.862 54.983 -1.121 25834 200 1 1 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.120 -1.103 25834 201 1 1 . 1 1 38 38 LEU H H 38 7.155 7.155 7.718 -0.563 25834 202 1 1 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.393 -0.068 25834 203 1 1 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.349 0.602 25834 204 1 1 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.212 -0.130 25834 205 1 1 . 1 1 40 40 GLN N N 40 125.695 125.695 117.617 8.078 25834 206 1 1 . 1 1 40 40 GLN HA H 40 3.784 3.784 3.920 -0.136 25834 207 1 1 . 1 1 40 40 GLN C C 40 177.994 177.994 177.444 0.550 25834 208 1 1 . 1 1 40 40 GLN CA C 40 59.489 59.489 56.102 3.387 25834 209 1 1 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.020 -0.893 25834 210 1 1 . 1 1 40 40 GLN H H 40 9.245 9.245 8.275 0.970 25834 211 1 1 . 1 1 41 41 HIS N N 41 125.870 125.870 118.779 7.091 25834 212 1 1 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.259 0.270 25834 213 1 1 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.794 -1.386 25834 214 1 1 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.683 -0.294 25834 215 1 1 . 1 1 41 41 HIS H H 41 11.289 11.289 8.573 2.716 25834 216 1 1 . 1 1 42 42 ILE N N 42 119.609 119.609 116.164 3.445 25834 217 1 1 . 1 1 42 42 ILE HA H 42 3.867 3.867 4.018 -0.151 25834 218 1 1 . 1 1 42 42 ILE C C 42 178.715 178.715 177.519 1.196 25834 219 1 1 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.522 -3.399 25834 220 1 1 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.141 -1.593 25834 221 1 1 . 1 1 42 42 ILE H H 42 6.700 6.700 7.765 -1.065 25834 222 1 1 . 1 1 43 43 ILE N N 43 122.532 122.532 120.342 2.190 25834 223 1 1 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.824 -0.325 25834 224 1 1 . 1 1 43 43 ILE C C 43 178.325 178.325 177.897 0.428 25834 225 1 1 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.883 1.654 25834 226 1 1 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.058 1.180 25834 227 1 1 . 1 1 43 43 ILE H H 43 7.673 7.673 7.735 -0.062 25834 228 1 1 . 1 1 44 44 GLY N N 44 101.559 101.559 107.162 -5.603 25834 229 1 1 . 1 1 44 44 GLY C C 44 174.914 174.914 175.027 -0.113 25834 230 1 1 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.988 -0.625 25834 231 1 1 . 1 1 44 44 GLY H H 44 7.938 7.938 8.367 -0.429 25834 232 1 1 . 1 1 45 45 VAL N N 45 106.862 106.862 118.831 -11.969 25834 233 1 1 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.114 0.644 25834 234 1 1 . 1 1 45 45 VAL C C 45 175.397 175.397 175.807 -0.410 25834 235 1 1 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.127 -1.596 25834 236 1 1 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.379 0.645 25834 237 1 1 . 1 1 45 45 VAL H H 45 6.843 6.843 7.247 -0.404 25834 238 1 1 . 1 1 46 46 THR N N 46 117.226 117.226 112.631 4.595 25834 239 1 1 . 1 1 46 46 THR HA H 46 4.447 4.447 4.099 0.348 25834 240 1 1 . 1 1 46 46 THR C C 46 172.087 172.087 174.628 -2.541 25834 241 1 1 . 1 1 46 46 THR CA C 46 62.571 62.571 62.765 -0.194 25834 242 1 1 . 1 1 46 46 THR CB C 46 68.863 68.863 69.488 -0.625 25834 243 1 1 . 1 1 46 46 THR H H 46 7.093 7.093 7.272 -0.179 25834 244 1 1 . 1 1 47 47 ASP N N 47 127.436 127.436 122.052 5.384 25834 245 1 1 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.693 -0.076 25834 246 1 1 . 1 1 47 47 ASP C C 47 174.684 174.684 176.822 -2.138 25834 247 1 1 . 1 1 47 47 ASP CA C 47 52.604 52.604 53.209 -0.605 25834 248 1 1 . 1 1 47 47 ASP CB C 47 42.737 42.737 40.950 1.787 25834 249 1 1 . 1 1 47 47 ASP H H 47 7.612 7.612 8.546 -0.934 25834 250 1 1 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.398 -0.409 25834 251 1 1 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.559 -0.531 25834 252 1 1 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.017 0.263 25834 253 1 1 . 1 1 49 49 THR N N 49 114.121 114.121 112.685 1.436 25834 254 1 1 . 1 1 49 49 THR HA H 49 4.189 4.189 4.214 -0.025 25834 255 1 1 . 1 1 49 49 THR C C 49 177.000 177.000 176.438 0.562 25834 256 1 1 . 1 1 49 49 THR CA C 49 66.844 66.844 65.019 1.825 25834 257 1 1 . 1 1 49 49 THR CB C 49 67.824 67.824 68.344 -0.520 25834 258 1 1 . 1 1 49 49 THR H H 49 7.942 7.942 8.124 -0.182 25834 259 1 1 . 1 1 50 50 LYS N N 50 123.787 123.787 122.604 1.183 25834 260 1 1 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.251 -0.334 25834 261 1 1 . 1 1 50 50 LYS C C 50 177.547 177.547 178.383 -0.836 25834 262 1 1 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.872 -0.140 25834 263 1 1 . 1 1 50 50 LYS CB C 50 33.315 33.315 31.967 1.348 25834 264 1 1 . 1 1 50 50 LYS H H 50 7.070 7.070 7.952 -0.882 25834 265 1 1 . 1 1 51 51 LEU N N 51 115.307 115.307 117.965 -2.658 25834 266 1 1 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.041 -0.236 25834 267 1 1 . 1 1 51 51 LEU C C 51 178.314 178.314 178.152 0.162 25834 268 1 1 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.784 0.210 25834 269 1 1 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.829 -0.613 25834 270 1 1 . 1 1 51 51 LEU H H 51 7.439 7.439 8.048 -0.609 25834 271 1 1 . 1 1 52 52 ASN N N 52 115.979 115.979 117.343 -1.364 25834 272 1 1 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.503 -0.231 25834 273 1 1 . 1 1 52 52 ASN C C 52 178.387 178.387 176.936 1.451 25834 274 1 1 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.462 -0.298 25834 275 1 1 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.627 -0.736 25834 276 1 1 . 1 1 52 52 ASN H H 52 8.533 8.533 7.747 0.786 25834 277 1 1 . 1 1 53 53 ALA N N 53 119.261 119.261 121.379 -2.118 25834 278 1 1 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.338 -0.107 25834 279 1 1 . 1 1 53 53 ALA C C 53 179.957 179.957 178.923 1.034 25834 280 1 1 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.197 -0.160 25834 281 1 1 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.495 0.827 25834 282 1 1 . 1 1 53 53 ALA H H 53 7.681 7.681 7.365 0.316 25834 283 1 1 . 1 1 54 54 GLN N N 54 111.586 111.586 115.864 -4.278 25834 284 1 1 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.246 0.160 25834 285 1 1 . 1 1 54 54 GLN C C 54 178.500 178.500 176.970 1.530 25834 286 1 1 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.097 0.696 25834 287 1 1 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.603 -0.172 25834 288 1 1 . 1 1 54 54 GLN H H 54 7.905 7.905 7.606 0.299 25834 289 1 1 . 1 1 55 55 VAL N N 55 120.362 120.362 118.412 1.950 25834 290 1 1 . 1 1 55 55 VAL HA H 55 4.205 4.205 4.037 0.168 25834 291 1 1 . 1 1 55 55 VAL C C 55 174.795 174.795 176.740 -1.945 25834 292 1 1 . 1 1 55 55 VAL CA C 55 64.682 64.682 63.084 1.598 25834 293 1 1 . 1 1 55 55 VAL CB C 55 30.387 30.387 32.020 -1.633 25834 294 1 1 . 1 1 55 55 VAL H H 55 8.137 8.137 7.094 1.043 25834 295 1 1 . 1 1 56 56 SER N N 56 114.478 114.478 113.844 0.634 25834 296 1 1 . 1 1 56 56 SER HA H 56 3.882 3.882 4.200 -0.318 25834 297 1 1 . 1 1 56 56 SER C C 56 174.256 174.256 174.990 -0.734 25834 298 1 1 . 1 1 56 56 SER CA C 56 60.480 60.480 59.813 0.667 25834 299 1 1 . 1 1 56 56 SER CB C 56 62.427 62.427 62.839 -0.412 25834 300 1 1 . 1 1 56 56 SER H H 56 7.899 7.899 8.018 -0.119 25834 301 1 1 . 1 1 57 57 TYR N N 57 117.315 117.315 118.188 -0.873 25834 302 1 1 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.610 -0.273 25834 303 1 1 . 1 1 57 57 TYR C C 57 175.570 175.570 175.342 0.228 25834 304 1 1 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.799 -0.126 25834 305 1 1 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.663 -0.399 25834 306 1 1 . 1 1 57 57 TYR H H 57 7.662 7.662 7.448 0.214 25834 307 1 1 . 1 1 58 58 PHE N N 58 118.544 118.544 114.041 4.503 25834 308 1 1 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.847 -0.441 25834 309 1 1 . 1 1 58 58 PHE C C 58 171.715 171.715 173.179 -1.464 25834 310 1 1 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.903 0.586 25834 311 1 1 . 1 1 58 58 PHE CB C 58 41.401 41.401 40.828 0.574 25834 312 1 1 . 1 1 58 58 PHE H H 58 7.727 7.727 7.424 0.303 25834 313 1 1 . 1 1 59 59 GLN N N 59 127.699 127.699 121.017 6.682 25834 314 1 1 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.404 -0.687 25834 315 1 1 . 1 1 59 59 GLN C C 59 172.421 172.421 174.974 -2.553 25834 316 1 1 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.454 -0.242 25834 317 1 1 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.703 -3.758 25834 318 1 1 . 1 1 59 59 GLN H H 59 7.909 7.909 8.669 -0.760 25834 319 1 1 . 1 1 60 60 CYS N N 60 125.668 125.668 123.363 2.305 25834 320 1 1 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.737 -1.459 25834 321 1 1 . 1 1 60 60 CYS C C 60 171.317 171.317 173.783 -2.466 25834 322 1 1 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.627 0.796 25834 323 1 1 . 1 1 60 60 CYS CB C 60 26.588 26.588 27.766 -1.178 25834 324 1 1 . 1 1 60 60 CYS H H 60 6.802 6.802 8.524 -1.722 25834 325 1 1 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.241 -0.139 25834 326 1 1 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.765 -0.295 25834 327 1 1 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.968 -0.348 25834 328 1 1 . 1 1 63 63 TRP N N 63 110.609 110.609 115.279 -4.670 25834 329 1 1 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.600 -0.168 25834 330 1 1 . 1 1 63 63 TRP C C 63 176.764 176.764 175.118 1.646 25834 331 1 1 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.529 -1.520 25834 332 1 1 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.255 0.103 25834 333 1 1 . 1 1 63 63 TRP H H 63 6.172 6.172 7.325 -1.153 25834 334 1 1 . 1 1 64 64 ALA N N 64 124.983 124.983 122.138 2.845 25834 335 1 1 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.544 0.872 25834 336 1 1 . 1 1 64 64 ALA C C 64 176.025 176.025 177.888 -1.863 25834 337 1 1 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.978 -0.341 25834 338 1 1 . 1 1 64 64 ALA CB C 64 21.355 21.355 18.869 2.486 25834 339 1 1 . 1 1 64 64 ALA H H 64 7.038 7.038 6.532 0.506 25834 340 1 1 . 1 1 65 65 ALA N N 65 120.111 120.111 124.885 -4.774 25834 341 1 1 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.060 0.545 25834 342 1 1 . 1 1 65 65 ALA C C 65 175.012 175.012 176.471 -1.459 25834 343 1 1 . 1 1 65 65 ALA CA C 65 50.868 50.868 53.013 -2.145 25834 344 1 1 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.473 6.249 25834 345 1 1 . 1 1 65 65 ALA H H 65 8.344 8.344 8.476 -0.132 25834 346 1 1 . 1 1 66 66 LEU N N 66 118.667 118.667 118.188 0.479 25834 347 1 1 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.544 -0.561 25834 348 1 1 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.056 1.131 25834 349 1 1 . 1 1 66 66 LEU CB C 66 42.535 42.535 43.300 -0.765 25834 350 1 1 . 1 1 66 66 LEU H H 66 8.272 8.272 7.869 0.403 25834 351 1 1 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.436 -1.285 25834 352 1 1 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.631 0.489 25834 353 1 1 . 1 1 67 67 PRO CB C 67 31.810 31.810 32.030 -0.220 25834 354 1 1 . 1 1 68 68 SER N N 68 118.916 118.916 115.167 3.749 25834 355 1 1 . 1 1 68 68 SER HA H 68 4.197 4.197 4.554 -0.357 25834 356 1 1 . 1 1 68 68 SER C C 68 173.454 173.454 173.100 0.354 25834 357 1 1 . 1 1 68 68 SER CA C 68 57.667 57.667 58.459 -0.792 25834 358 1 1 . 1 1 68 68 SER CB C 68 63.129 63.129 64.133 -1.004 25834 359 1 1 . 1 1 68 68 SER H H 68 6.468 6.468 8.583 -2.115 25834 360 1 1 . 1 1 69 69 VAL N N 69 119.159 119.159 119.254 -0.095 25834 361 1 1 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.236 -0.030 25834 362 1 1 . 1 1 69 69 VAL C C 69 174.162 174.162 174.682 -0.520 25834 363 1 1 . 1 1 69 69 VAL CA C 69 60.536 60.536 61.186 -0.650 25834 364 1 1 . 1 1 69 69 VAL CB C 69 34.809 34.809 34.938 -0.129 25834 365 1 1 . 1 1 69 69 VAL H H 69 6.702 6.702 7.305 -0.603 25834 366 1 1 . 1 1 70 70 ALA N N 70 128.571 128.571 127.634 0.937 25834 367 1 1 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.838 -0.614 25834 368 1 1 . 1 1 70 70 ALA C C 70 176.888 176.888 176.700 0.188 25834 369 1 1 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.492 1.398 25834 370 1 1 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.627 0.091 25834 371 1 1 . 1 1 70 70 ALA H H 70 8.486 8.486 8.499 -0.013 25834 372 1 1 . 1 1 71 71 CYS N N 71 120.365 120.365 120.955 -0.590 25834 373 1 1 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.135 0.311 25834 374 1 1 . 1 1 71 71 CYS C C 71 173.126 173.126 173.237 -0.111 25834 375 1 1 . 1 1 71 71 CYS CA C 71 58.111 58.111 56.423 1.688 25834 376 1 1 . 1 1 71 71 CYS CB C 71 31.733 31.733 30.962 0.771 25834 377 1 1 . 1 1 71 71 CYS H H 71 8.222 8.222 8.804 -0.582 25834 378 1 1 . 1 1 72 72 HIS N N 72 114.002 114.002 115.117 -1.115 25834 379 1 1 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.082 -0.229 25834 380 1 1 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.455 0.479 25834 381 1 1 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.328 -0.870 25834 382 1 1 . 1 1 72 72 HIS H H 72 9.033 9.033 8.523 0.510 25834 383 1 1 . 1 1 73 73 LEU N N 73 117.312 117.312 120.651 -3.339 25834 384 1 1 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.615 0.408 25834 385 1 1 . 1 1 73 73 LEU C C 73 176.776 176.776 174.954 1.822 25834 386 1 1 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.298 -0.664 25834 387 1 1 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.315 -2.953 25834 388 1 1 . 1 1 73 73 LEU H H 73 9.300 9.300 8.303 0.997 25834 389 1 1 . 1 1 74 74 GLN N N 74 125.734 125.734 124.340 1.394 25834 390 1 1 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.653 -0.068 25834 391 1 1 . 1 1 74 74 GLN C C 74 175.495 175.495 173.756 1.739 25834 392 1 1 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.575 0.390 25834 393 1 1 . 1 1 74 74 GLN CB C 74 30.517 30.517 32.203 -1.686 25834 394 1 1 . 1 1 74 74 GLN H H 74 9.117 9.117 8.458 0.659 25834 395 1 1 . 1 1 75 75 CYS N N 75 129.141 129.141 126.023 3.118 25834 396 1 1 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.503 -0.456 25834 397 1 1 . 1 1 75 75 CYS C C 75 173.524 173.524 174.755 -1.231 25834 398 1 1 . 1 1 75 75 CYS CA C 75 57.494 57.494 57.225 0.269 25834 399 1 1 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.450 -2.157 25834 400 1 1 . 1 1 75 75 CYS H H 75 9.362 9.362 8.897 0.465 25834 401 1 1 . 1 1 76 76 THR N N 76 120.173 120.173 116.239 3.934 25834 402 1 1 . 1 1 76 76 THR HA H 76 5.014 5.014 4.851 0.163 25834 403 1 1 . 1 1 76 76 THR C C 76 172.958 172.958 173.620 -0.662 25834 404 1 1 . 1 1 76 76 THR CA C 76 59.790 59.790 60.115 -0.325 25834 405 1 1 . 1 1 76 76 THR CB C 76 72.870 72.870 70.040 2.830 25834 406 1 1 . 1 1 76 76 THR H H 76 8.477 8.477 8.106 0.371 25834 407 1 1 . 1 1 77 77 ARG N N 77 121.783 121.783 121.461 0.322 25834 408 1 1 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.560 -0.148 25834 409 1 1 . 1 1 77 77 ARG C C 77 175.808 175.808 175.182 0.626 25834 410 1 1 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.765 -0.044 25834 411 1 1 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.221 0.943 25834 412 1 1 . 1 1 77 77 ARG H H 77 8.769 8.769 7.959 0.810 25834 413 1 1 . 1 1 78 78 ASP N N 78 130.879 130.879 124.281 6.598 25834 414 1 1 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.298 -0.108 25834 415 1 1 . 1 1 78 78 ASP C C 78 175.472 175.472 176.378 -0.906 25834 416 1 1 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.013 0.696 25834 417 1 1 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.223 0.438 25834 418 1 1 . 1 1 78 78 ASP H H 78 9.499 9.499 8.971 0.528 25834 419 1 1 . 1 1 79 79 GLY N N 79 102.423 102.423 102.655 -0.232 25834 420 1 1 . 1 1 79 79 GLY C C 79 173.613 173.613 174.296 -0.683 25834 421 1 1 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.059 -0.097 25834 422 1 1 . 1 1 79 79 GLY H H 79 8.361 8.361 8.625 -0.264 25834 423 1 1 . 1 1 80 80 LEU N N 80 123.754 123.754 121.933 1.821 25834 424 1 1 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.651 0.336 25834 425 1 1 . 1 1 80 80 LEU C C 80 174.659 174.659 174.933 -0.274 25834 426 1 1 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.242 0.948 25834 427 1 1 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.010 -0.957 25834 428 1 1 . 1 1 80 80 LEU H H 80 7.775 7.775 7.614 0.161 25834 429 1 1 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.396 0.171 25834 430 1 1 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.567 0.293 25834 431 1 1 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.797 1.663 25834 432 1 1 . 1 1 82 82 LEU N N 82 126.089 126.089 125.230 0.859 25834 433 1 1 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.459 0.530 25834 434 1 1 . 1 1 82 82 LEU C C 82 174.148 174.148 176.135 -1.987 25834 435 1 1 . 1 1 82 82 LEU CA C 82 52.635 52.635 52.950 -0.315 25834 436 1 1 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.742 1.259 25834 437 1 1 . 1 1 82 82 LEU H H 82 8.131 8.131 7.700 0.431 25834 438 1 1 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.432 -0.242 25834 439 1 1 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.837 1.003 25834 440 1 1 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.564 0.516 25834 441 1 1 . 1 1 84 84 ALA N N 84 123.359 123.359 128.524 -5.165 25834 442 1 1 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.517 -0.326 25834 443 1 1 . 1 1 84 84 ALA C C 84 178.112 178.112 176.478 1.634 25834 444 1 1 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.318 -0.564 25834 445 1 1 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.362 0.780 25834 446 1 1 . 1 1 84 84 ALA H H 84 8.063 8.063 8.414 -0.351 25834 447 1 1 . 1 1 85 85 LEU N N 85 118.757 118.757 121.445 -2.688 25834 448 1 1 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.539 0.094 25834 449 1 1 . 1 1 85 85 LEU C C 85 177.225 177.225 177.272 -0.047 25834 450 1 1 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.506 -1.148 25834 451 1 1 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.945 -3.776 25834 452 1 1 . 1 1 85 85 LEU H H 85 8.393 8.393 8.184 0.209 25834 453 1 1 . 1 1 86 86 GLY N N 86 112.143 112.143 110.744 1.399 25834 454 1 1 . 1 1 86 86 GLY C C 86 173.704 173.704 174.714 -1.010 25834 455 1 1 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.215 1.665 25834 456 1 1 . 1 1 86 86 GLY H H 86 9.046 9.046 8.729 0.317 25834 457 1 1 . 1 1 87 87 LEU N N 87 123.289 123.289 127.502 -4.213 25834 458 1 1 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.183 0.348 25834 459 1 1 . 1 1 87 87 LEU C C 87 177.568 177.568 176.342 1.226 25834 460 1 1 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.509 -0.550 25834 461 1 1 . 1 1 87 87 LEU CB C 87 42.911 42.911 40.037 2.874 25834 462 1 1 . 1 1 87 87 LEU H H 87 7.934 7.934 8.336 -0.402 25834 463 1 1 . 1 1 88 88 HIS N N 88 116.221 116.221 116.850 -0.629 25834 464 1 1 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.279 -0.408 25834 465 1 1 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.490 3.078 25834 466 1 1 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.113 1.663 25834 467 1 1 . 1 1 88 88 HIS H H 88 9.253 9.253 7.781 1.472 25834 468 1 1 . 1 1 89 89 ARG N N 89 118.280 118.280 118.551 -0.271 25834 469 1 1 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.397 -0.357 25834 470 1 1 . 1 1 89 89 ARG C C 89 175.205 175.205 176.344 -1.139 25834 471 1 1 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.874 -0.343 25834 472 1 1 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.521 1.282 25834 473 1 1 . 1 1 89 89 ARG H H 89 7.300 7.300 8.590 -1.290 25834 474 1 1 . 1 1 90 90 PHE N N 90 113.880 113.880 117.088 -3.208 25834 475 1 1 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.786 0.617 25834 476 1 1 . 1 1 90 90 PHE C C 90 172.663 172.663 173.604 -0.941 25834 477 1 1 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.629 -2.274 25834 478 1 1 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.667 -0.557 25834 479 1 1 . 1 1 90 90 PHE H H 90 7.252 7.252 7.840 -0.588 25834 480 1 1 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.294 0.555 25834 481 1 1 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.077 -0.737 25834 482 1 1 . 1 1 91 91 PRO CB C 91 32.970 32.970 31.757 1.213 25834 483 1 1 . 1 1 92 92 PHE N N 92 104.480 104.480 112.892 -8.412 25834 484 1 1 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.200 0.773 25834 485 1 1 . 1 1 92 92 PHE C C 92 172.347 172.347 173.268 -0.921 25834 486 1 1 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.339 0.021 25834 487 1 1 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.637 0.110 25834 488 1 1 . 1 1 92 92 PHE H H 92 6.117 6.117 6.829 -0.712 25834 489 1 1 . 1 1 93 93 TYR N N 93 120.959 120.959 117.550 3.409 25834 490 1 1 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.970 -0.601 25834 491 1 1 . 1 1 93 93 TYR C C 93 173.417 173.417 173.241 0.176 25834 492 1 1 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.578 -0.190 25834 493 1 1 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.878 1.572 25834 494 1 1 . 1 1 93 93 TYR H H 93 9.370 9.370 8.511 0.859 25834 495 1 1 . 1 1 94 94 LEU N N 94 123.359 123.359 122.080 1.279 25834 496 1 1 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.143 0.940 25834 497 1 1 . 1 1 94 94 LEU C C 94 176.045 176.045 175.056 0.989 25834 498 1 1 . 1 1 94 94 LEU CA C 94 54.107 54.107 53.680 0.427 25834 499 1 1 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.910 0.263 25834 500 1 1 . 1 1 94 94 LEU H H 94 10.272 10.272 8.971 1.301 25834 501 1 1 . 1 1 95 95 PHE N N 95 119.493 119.493 119.591 -0.098 25834 502 1 1 . 1 1 95 95 PHE HA H 95 5.237 5.237 5.022 0.215 25834 503 1 1 . 1 1 95 95 PHE C C 95 175.870 175.870 175.215 0.655 25834 504 1 1 . 1 1 95 95 PHE CA C 95 55.769 55.769 55.308 0.461 25834 505 1 1 . 1 1 95 95 PHE CB C 95 42.330 42.330 39.380 2.950 25834 506 1 1 . 1 1 95 95 PHE H H 95 8.761 8.761 8.220 0.541 25834 507 1 1 . 1 1 96 96 GLY N N 96 109.374 109.374 110.611 -1.237 25834 508 1 1 . 1 1 96 96 GLY C C 96 170.712 170.712 173.085 -2.373 25834 509 1 1 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.190 0.196 25834 510 1 1 . 1 1 96 96 GLY H H 96 7.966 7.966 8.591 -0.625 25834 511 1 1 . 1 1 97 97 ARG N N 97 119.683 119.683 119.748 -0.065 25834 512 1 1 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.626 0.023 25834 513 1 1 . 1 1 97 97 ARG C C 97 177.225 177.225 176.396 0.829 25834 514 1 1 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.773 1.726 25834 515 1 1 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.877 -0.002 25834 516 1 1 . 1 1 97 97 ARG H H 97 8.147 8.147 7.967 0.180 25834 517 1 1 . 1 1 98 98 SER N N 98 113.711 113.711 115.450 -1.739 25834 518 1 1 . 1 1 98 98 SER HA H 98 4.337 4.337 4.362 -0.025 25834 519 1 1 . 1 1 98 98 SER C C 98 176.172 176.172 176.174 -0.002 25834 520 1 1 . 1 1 98 98 SER CA C 98 57.909 57.909 58.173 -0.264 25834 521 1 1 . 1 1 98 98 SER CB C 98 63.085 63.085 63.870 -0.785 25834 522 1 1 . 1 1 98 98 SER H H 98 9.133 9.133 7.818 1.315 25834 523 1 1 . 1 1 99 99 LYS N N 99 124.590 124.590 126.216 -1.626 25834 524 1 1 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.208 -0.264 25834 525 1 1 . 1 1 99 99 LYS C C 99 176.548 176.548 176.683 -0.135 25834 526 1 1 . 1 1 99 99 LYS CA C 99 58.193 58.193 58.307 -0.114 25834 527 1 1 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.508 0.153 25834 528 1 1 . 1 1 99 99 LYS H H 99 8.451 8.451 8.870 -0.419 25834 529 1 1 . 1 1 100 100 VAL N N 100 114.126 114.126 113.493 0.633 25834 530 1 1 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.124 -0.226 25834 531 1 1 . 1 1 100 100 VAL C C 100 176.832 176.832 176.548 0.284 25834 532 1 1 . 1 1 100 100 VAL CA C 100 62.964 62.964 62.567 0.397 25834 533 1 1 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.436 0.258 25834 534 1 1 . 1 1 100 100 VAL H H 100 7.512 7.512 7.435 0.077 25834 535 1 1 . 1 1 101 101 CYS N N 101 119.359 119.359 120.610 -1.251 25834 536 1 1 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.285 -0.798 25834 537 1 1 . 1 1 101 101 CYS C C 101 172.156 172.156 175.449 -3.293 25834 538 1 1 . 1 1 101 101 CYS CA C 101 61.155 61.155 60.626 0.529 25834 539 1 1 . 1 1 101 101 CYS CB C 101 26.848 26.848 28.770 -1.922 25834 540 1 1 . 1 1 101 101 CYS H H 101 7.641 7.641 7.627 0.014 25834 541 1 1 . 1 1 102 102 ASP N N 102 118.734 118.734 121.533 -2.799 25834 542 1 1 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.525 -0.596 25834 543 1 1 . 1 1 102 102 ASP C C 102 175.410 175.410 175.509 -0.099 25834 544 1 1 . 1 1 102 102 ASP CA C 102 57.029 57.029 56.442 0.587 25834 545 1 1 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.461 1.467 25834 546 1 1 . 1 1 102 102 ASP H H 102 7.367 7.367 8.722 -1.355 25834 547 1 1 . 1 1 103 103 TYR N N 103 114.004 114.004 119.160 -5.156 25834 548 1 1 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.717 0.515 25834 549 1 1 . 1 1 103 103 TYR C C 103 172.997 172.997 173.780 -0.783 25834 550 1 1 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.565 -0.211 25834 551 1 1 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.581 -2.301 25834 552 1 1 . 1 1 103 103 TYR H H 103 7.111 7.111 7.730 -0.619 25834 553 1 1 . 1 1 104 104 VAL N N 104 124.660 124.660 126.674 -2.014 25834 554 1 1 . 1 1 104 104 VAL HA H 104 4.525 4.525 5.301 -0.776 25834 555 1 1 . 1 1 104 104 VAL C C 104 176.491 176.491 175.173 1.318 25834 556 1 1 . 1 1 104 104 VAL CA C 104 61.221 61.221 60.891 0.331 25834 557 1 1 . 1 1 104 104 VAL CB C 104 31.806 31.806 32.520 -0.714 25834 558 1 1 . 1 1 104 104 VAL H H 104 8.210 8.210 8.424 -0.214 25834 559 1 1 . 1 1 105 105 LEU N N 105 130.546 130.546 130.072 0.474 25834 560 1 1 . 1 1 105 105 LEU HA H 105 4.567 4.567 5.015 -0.448 25834 561 1 1 . 1 1 105 105 LEU C C 105 175.794 175.794 175.804 -0.010 25834 562 1 1 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.759 -0.901 25834 563 1 1 . 1 1 105 105 LEU CB C 105 43.199 43.199 44.306 -1.107 25834 564 1 1 . 1 1 105 105 LEU H H 105 8.217 8.217 8.231 -0.014 25834 565 1 1 . 1 1 106 106 GLU N N 106 117.285 117.285 118.584 -1.299 25834 566 1 1 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.661 -0.412 25834 567 1 1 . 1 1 106 106 GLU C C 106 176.698 176.698 175.161 1.537 25834 568 1 1 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.129 0.524 25834 569 1 1 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.604 0.546 25834 570 1 1 . 1 1 106 106 GLU H H 106 8.219 8.219 8.379 -0.160 25834 571 1 1 . 1 1 107 107 HIS N N 107 123.685 123.685 123.119 0.566 25834 572 1 1 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.854 -1.003 25834 573 1 1 . 1 1 107 107 HIS CA C 107 58.239 58.239 54.728 3.511 25834 574 1 1 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.302 -1.383 25834 575 1 1 . 1 1 107 107 HIS H H 107 7.703 7.703 8.500 -0.797 25834 576 1 1 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.487 -0.347 25834 577 1 1 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.057 0.593 25834 578 1 1 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.437 -0.416 25834 579 1 1 . 1 1 109 109 SER N N 109 114.134 114.134 112.382 1.752 25834 580 1 1 . 1 1 109 109 SER HA H 109 4.326 4.326 4.635 -0.309 25834 581 1 1 . 1 1 109 109 SER C C 109 174.553 174.553 174.907 -0.354 25834 582 1 1 . 1 1 109 109 SER CA C 109 59.214 59.214 58.856 0.358 25834 583 1 1 . 1 1 109 109 SER CB C 109 64.953 64.953 64.238 0.715 25834 584 1 1 . 1 1 109 109 SER H H 109 9.035 9.035 7.893 1.142 25834 585 1 1 . 1 1 110 110 ILE N N 110 128.498 128.498 124.209 4.289 25834 586 1 1 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.062 0.157 25834 587 1 1 . 1 1 110 110 ILE C C 110 175.968 175.968 175.432 0.536 25834 588 1 1 . 1 1 110 110 ILE CA C 110 59.903 59.903 61.860 -1.957 25834 589 1 1 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.512 -0.774 25834 590 1 1 . 1 1 110 110 ILE H H 110 8.103 8.103 8.021 0.082 25834 591 1 1 . 1 1 111 111 SER N N 111 127.509 127.509 123.415 4.094 25834 592 1 1 . 1 1 111 111 SER HA H 111 4.207 4.207 4.871 -0.664 25834 593 1 1 . 1 1 111 111 SER C C 111 174.300 174.300 176.124 -1.824 25834 594 1 1 . 1 1 111 111 SER CA C 111 60.844 60.844 57.318 3.526 25834 595 1 1 . 1 1 111 111 SER CB C 111 64.891 64.891 65.320 -0.429 25834 596 1 1 . 1 1 111 111 SER H H 111 11.497 11.497 8.183 3.314 25834 597 1 1 . 1 1 112 112 SER N N 112 120.261 120.261 116.954 3.307 25834 598 1 1 . 1 1 112 112 SER HA H 112 4.208 4.208 4.349 -0.141 25834 599 1 1 . 1 1 112 112 SER C C 112 174.250 174.250 174.035 0.215 25834 600 1 1 . 1 1 112 112 SER CA C 112 63.258 63.258 61.826 1.432 25834 601 1 1 . 1 1 112 112 SER CB C 112 62.194 62.194 62.928 -0.734 25834 602 1 1 . 1 1 112 112 SER H H 112 9.135 9.135 9.167 -0.032 25834 603 1 1 . 1 1 113 113 VAL N N 113 118.006 118.006 114.142 3.864 25834 604 1 1 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.596 -0.943 25834 605 1 1 . 1 1 113 113 VAL C C 113 173.570 173.570 174.434 -0.864 25834 606 1 1 . 1 1 113 113 VAL CA C 113 64.376 64.376 60.174 4.202 25834 607 1 1 . 1 1 113 113 VAL CB C 113 32.216 32.216 32.891 -0.675 25834 608 1 1 . 1 1 113 113 VAL H H 113 7.781 7.781 7.452 0.329 25834 609 1 1 . 1 1 114 114 HIS N N 114 128.080 128.080 125.889 2.191 25834 610 1 1 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.751 -0.557 25834 611 1 1 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.280 -0.858 25834 612 1 1 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.415 4.641 25834 613 1 1 . 1 1 114 114 HIS H H 114 8.875 8.875 8.234 0.641 25834 614 1 1 . 1 1 115 115 ALA N N 115 114.264 114.264 115.107 -0.843 25834 615 1 1 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.808 0.423 25834 616 1 1 . 1 1 115 115 ALA C C 115 173.729 173.729 174.239 -0.510 25834 617 1 1 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.384 -0.426 25834 618 1 1 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.460 2.144 25834 619 1 1 . 1 1 115 115 ALA H H 115 8.250 8.250 7.542 0.708 25834 620 1 1 . 1 1 116 116 VAL N N 116 116.683 116.683 118.948 -2.265 25834 621 1 1 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.516 1.342 25834 622 1 1 . 1 1 116 116 VAL C C 116 173.135 173.135 173.275 -0.140 25834 623 1 1 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.826 -2.018 25834 624 1 1 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.440 0.740 25834 625 1 1 . 1 1 116 116 VAL H H 116 8.808 8.808 7.638 1.170 25834 626 1 1 . 1 1 117 117 LEU N N 117 124.933 124.933 125.636 -0.703 25834 627 1 1 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.303 0.451 25834 628 1 1 . 1 1 117 117 LEU C C 117 174.233 174.233 175.268 -1.035 25834 629 1 1 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.688 1.224 25834 630 1 1 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.396 1.733 25834 631 1 1 . 1 1 117 117 LEU H H 117 8.799 8.799 7.890 0.909 25834 632 1 1 . 1 1 118 118 VAL N N 118 123.453 123.453 118.570 4.883 25834 633 1 1 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.862 0.575 25834 634 1 1 . 1 1 118 118 VAL C C 118 174.261 174.261 175.633 -1.372 25834 635 1 1 . 1 1 118 118 VAL CA C 118 59.238 59.238 61.022 -1.784 25834 636 1 1 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.541 -0.471 25834 637 1 1 . 1 1 118 118 VAL H H 118 10.009 10.009 8.182 1.827 25834 638 1 1 . 1 1 119 119 PHE N N 119 132.016 132.016 128.186 3.830 25834 639 1 1 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.696 0.150 25834 640 1 1 . 1 1 119 119 PHE C C 119 172.828 172.828 174.700 -1.872 25834 641 1 1 . 1 1 119 119 PHE CA C 119 60.289 60.289 57.983 2.306 25834 642 1 1 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.998 -0.358 25834 643 1 1 . 1 1 119 119 PHE H H 119 9.544 9.544 8.414 1.130 25834 644 1 1 . 1 1 120 120 HIS N N 120 130.718 130.718 127.990 2.728 25834 645 1 1 . 1 1 120 120 HIS HA H 120 3.844 3.844 5.030 -1.186 25834 646 1 1 . 1 1 120 120 HIS CA C 120 55.828 55.828 56.708 -0.880 25834 647 1 1 . 1 1 120 120 HIS CB C 120 32.276 32.276 29.958 2.318 25834 648 1 1 . 1 1 120 120 HIS H H 120 8.365 8.365 8.377 -0.012 25834 649 1 1 . 1 1 121 121 GLY N N 121 111.906 111.906 114.487 -2.581 25834 650 1 1 . 1 1 121 121 GLY C C 121 174.992 174.992 174.385 0.607 25834 651 1 1 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.601 2.369 25834 652 1 1 . 1 1 121 121 GLY H H 121 8.150 8.150 8.531 -0.381 25834 653 1 1 . 1 1 122 122 GLY N N 122 111.156 111.156 107.883 3.273 25834 654 1 1 . 1 1 122 122 GLY C C 122 175.834 175.834 175.334 0.500 25834 655 1 1 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.674 0.722 25834 656 1 1 . 1 1 122 122 GLY H H 122 9.055 9.055 8.037 1.018 25834 657 1 1 . 1 1 123 123 GLN N N 123 121.769 121.769 117.995 3.774 25834 658 1 1 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.362 -0.428 25834 659 1 1 . 1 1 123 123 GLN C C 123 175.649 175.649 175.661 -0.012 25834 660 1 1 . 1 1 123 123 GLN CA C 123 56.432 56.432 54.706 1.726 25834 661 1 1 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.524 -0.099 25834 662 1 1 . 1 1 123 123 GLN H H 123 9.270 9.270 7.677 1.593 25834 663 1 1 . 1 1 124 124 ARG N N 124 115.831 115.831 117.720 -1.889 25834 664 1 1 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.084 -0.618 25834 665 1 1 . 1 1 124 124 ARG C C 124 173.830 173.830 174.590 -0.760 25834 666 1 1 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.326 -0.135 25834 667 1 1 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.514 -0.887 25834 668 1 1 . 1 1 124 124 ARG H H 124 8.141 8.141 8.058 0.083 25834 669 1 1 . 1 1 125 125 CYS N N 125 111.895 111.895 113.416 -1.521 25834 670 1 1 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.791 -0.301 25834 671 1 1 . 1 1 125 125 CYS C C 125 172.037 172.037 173.915 -1.878 25834 672 1 1 . 1 1 125 125 CYS CA C 125 55.647 55.647 56.823 -1.176 25834 673 1 1 . 1 1 125 125 CYS CB C 125 30.488 30.488 29.353 1.135 25834 674 1 1 . 1 1 125 125 CYS H H 125 6.808 6.808 7.876 -1.068 25834 675 1 1 . 1 1 126 126 PHE N N 126 119.776 119.776 123.179 -3.403 25834 676 1 1 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.566 0.239 25834 677 1 1 . 1 1 126 126 PHE C C 126 175.431 175.431 175.386 0.045 25834 678 1 1 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.513 1.212 25834 679 1 1 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.256 1.256 25834 680 1 1 . 1 1 126 126 PHE H H 126 9.599 9.599 9.263 0.336 25834 681 1 1 . 1 1 127 127 VAL N N 127 119.700 119.700 124.695 -4.995 25834 682 1 1 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.467 0.158 25834 683 1 1 . 1 1 127 127 VAL C C 127 173.499 173.499 173.983 -0.484 25834 684 1 1 . 1 1 127 127 VAL CA C 127 60.501 60.501 60.839 -0.338 25834 685 1 1 . 1 1 127 127 VAL CB C 127 34.354 34.354 33.042 1.312 25834 686 1 1 . 1 1 127 127 VAL H H 127 9.594 9.594 8.765 0.829 25834 687 1 1 . 1 1 128 128 LEU N N 128 129.107 129.107 131.218 -2.111 25834 688 1 1 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.210 0.207 25834 689 1 1 . 1 1 128 128 LEU C C 128 175.310 175.310 175.125 0.185 25834 690 1 1 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.207 -0.217 25834 691 1 1 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.995 1.540 25834 692 1 1 . 1 1 128 128 LEU H H 128 9.545 9.545 8.271 1.274 25834 693 1 1 . 1 1 129 129 MET N N 129 119.581 119.581 124.535 -4.954 25834 694 1 1 . 1 1 129 129 MET HA H 129 4.792 4.792 5.177 -0.385 25834 695 1 1 . 1 1 129 129 MET C C 129 174.562 174.562 174.631 -0.069 25834 696 1 1 . 1 1 129 129 MET CA C 129 54.980 54.980 54.257 0.723 25834 697 1 1 . 1 1 129 129 MET CB C 129 38.129 38.129 36.902 1.227 25834 698 1 1 . 1 1 129 129 MET H H 129 8.724 8.724 8.222 0.502 25834 699 1 1 . 1 1 130 130 ASP N N 130 124.566 124.566 123.685 0.881 25834 700 1 1 . 1 1 130 130 ASP HA H 130 4.672 4.672 4.988 -0.316 25834 701 1 1 . 1 1 130 130 ASP C C 130 178.291 178.291 177.308 0.983 25834 702 1 1 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.370 0.396 25834 703 1 1 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.531 0.532 25834 704 1 1 . 1 1 130 130 ASP H H 130 9.500 9.500 8.930 0.570 25834 705 1 1 . 1 1 131 131 LEU N N 131 129.917 129.917 122.967 6.950 25834 706 1 1 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.322 0.105 25834 707 1 1 . 1 1 131 131 LEU C C 131 176.172 176.172 177.628 -1.456 25834 708 1 1 . 1 1 131 131 LEU CA C 131 54.227 54.227 54.504 -0.277 25834 709 1 1 . 1 1 131 131 LEU CB C 131 39.713 39.713 41.221 -1.508 25834 710 1 1 . 1 1 131 131 LEU H H 131 8.182 8.182 8.047 0.135 25834 711 1 1 . 1 1 132 132 GLY N N 132 107.323 107.323 106.251 1.072 25834 712 1 1 . 1 1 132 132 GLY C C 132 174.507 174.507 174.547 -0.040 25834 713 1 1 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.789 1.482 25834 714 1 1 . 1 1 132 132 GLY H H 132 8.233 8.233 8.198 0.035 25834 715 1 1 . 1 1 133 133 SER N N 133 119.398 119.398 115.414 3.984 25834 716 1 1 . 1 1 133 133 SER HA H 133 4.091 4.091 4.390 -0.299 25834 717 1 1 . 1 1 133 133 SER C C 133 175.194 175.194 176.103 -0.909 25834 718 1 1 . 1 1 133 133 SER CA C 133 59.003 59.003 58.911 0.092 25834 719 1 1 . 1 1 133 133 SER CB C 133 62.766 62.766 63.549 -0.783 25834 720 1 1 . 1 1 133 133 SER H H 133 9.111 9.111 7.951 1.160 25834 721 1 1 . 1 1 134 134 THR N N 134 117.002 117.002 115.453 1.549 25834 722 1 1 . 1 1 134 134 THR HA H 134 3.917 3.917 4.227 -0.310 25834 723 1 1 . 1 1 134 134 THR C C 134 176.542 176.542 175.753 0.789 25834 724 1 1 . 1 1 134 134 THR CA C 134 66.444 66.444 64.038 2.405 25834 725 1 1 . 1 1 134 134 THR CB C 134 68.876 68.876 69.187 -0.311 25834 726 1 1 . 1 1 134 134 THR H H 134 7.136 7.136 8.756 -1.620 25834 727 1 1 . 1 1 135 135 ASN N N 135 114.018 114.018 120.969 -6.951 25834 728 1 1 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.495 0.399 25834 729 1 1 . 1 1 135 135 ASN C C 135 175.875 175.875 175.339 0.536 25834 730 1 1 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.157 -0.478 25834 731 1 1 . 1 1 135 135 ASN CB C 135 39.207 39.207 38.379 0.828 25834 732 1 1 . 1 1 135 135 ASN H H 135 9.243 9.243 8.546 0.697 25834 733 1 1 . 1 1 136 136 GLY N N 136 106.575 106.575 106.842 -0.267 25834 734 1 1 . 1 1 136 136 GLY C C 136 174.404 174.404 173.193 1.211 25834 735 1 1 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.161 1.851 25834 736 1 1 . 1 1 136 136 GLY H H 136 7.533 7.533 7.913 -0.380 25834 737 1 1 . 1 1 137 137 VAL N N 137 123.037 123.037 121.628 1.409 25834 738 1 1 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.266 0.288 25834 739 1 1 . 1 1 137 137 VAL C C 137 173.367 173.367 175.299 -1.932 25834 740 1 1 . 1 1 137 137 VAL CA C 137 61.221 61.221 62.302 -1.081 25834 741 1 1 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.015 3.176 25834 742 1 1 . 1 1 137 137 VAL H H 137 9.270 9.270 8.393 0.877 25834 743 1 1 . 1 1 138 138 LYS N N 138 123.932 123.932 123.506 0.426 25834 744 1 1 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.545 0.363 25834 745 1 1 . 1 1 138 138 LYS C C 138 174.454 174.454 174.816 -0.362 25834 746 1 1 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.470 -0.950 25834 747 1 1 . 1 1 138 138 LYS CB C 138 35.859 35.859 35.122 0.737 25834 748 1 1 . 1 1 138 138 LYS H H 138 8.779 8.779 8.380 0.399 25834 749 1 1 . 1 1 139 139 LEU N N 139 124.937 124.937 123.788 1.149 25834 750 1 1 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.673 0.361 25834 751 1 1 . 1 1 139 139 LEU C C 139 176.335 176.335 175.880 0.455 25834 752 1 1 . 1 1 139 139 LEU CA C 139 52.721 52.721 54.257 -1.536 25834 753 1 1 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.358 0.769 25834 754 1 1 . 1 1 139 139 LEU H H 139 8.528 8.528 8.761 -0.233 25834 755 1 1 . 1 1 140 140 ASN N N 140 128.375 128.375 124.881 3.494 25834 756 1 1 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.637 -0.241 25834 757 1 1 . 1 1 140 140 ASN C C 140 175.256 175.256 174.816 0.440 25834 758 1 1 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.582 -0.170 25834 759 1 1 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.915 -1.036 25834 760 1 1 . 1 1 140 140 ASN H H 140 10.056 10.056 9.141 0.915 25834 761 1 1 . 1 1 141 141 GLY N N 141 101.602 101.602 103.474 -1.872 25834 762 1 1 . 1 1 141 141 GLY C C 141 173.265 173.265 173.407 -0.142 25834 763 1 1 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.176 -0.204 25834 764 1 1 . 1 1 141 141 GLY H H 141 8.811 8.811 8.719 0.092 25834 765 1 1 . 1 1 142 142 ASN N N 142 118.060 118.060 118.253 -0.193 25834 766 1 1 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.965 0.043 25834 767 1 1 . 1 1 142 142 ASN C C 142 174.106 174.106 173.955 0.151 25834 768 1 1 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.129 -0.533 25834 769 1 1 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.725 -0.687 25834 770 1 1 . 1 1 142 142 ASN H H 142 7.512 7.512 7.830 -0.318 25834 771 1 1 . 1 1 143 143 ARG N N 143 125.882 125.882 124.087 1.795 25834 772 1 1 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.256 0.365 25834 773 1 1 . 1 1 143 143 ARG C C 143 177.077 177.077 175.582 1.495 25834 774 1 1 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.062 -0.122 25834 775 1 1 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.380 -0.593 25834 776 1 1 . 1 1 143 143 ARG H H 143 8.975 8.975 8.613 0.362 25834 777 1 1 . 1 1 144 144 ILE N N 144 124.442 124.442 121.240 3.202 25834 778 1 1 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.480 0.091 25834 779 1 1 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.995 1.800 25834 780 1 1 . 1 1 144 144 ILE CB C 144 39.273 39.273 39.130 0.143 25834 781 1 1 . 1 1 144 144 ILE H H 144 6.907 6.907 7.980 -1.073 25834 782 1 1 . 1 1 145 145 GLU N N 145 122.815 122.815 121.011 1.804 25834 783 1 1 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.207 -0.003 25834 784 1 1 . 1 1 145 145 GLU C C 145 176.123 176.123 175.614 0.509 25834 785 1 1 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.579 -1.244 25834 786 1 1 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.363 0.229 25834 787 1 1 . 1 1 145 145 GLU H H 145 8.628 8.628 8.563 0.065 25834 788 1 1 . 1 1 146 146 LYS N N 146 122.367 122.367 116.165 6.202 25834 789 1 1 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.846 -0.730 25834 790 1 1 . 1 1 146 146 LYS C C 146 175.811 175.811 176.133 -0.322 25834 791 1 1 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.258 3.697 25834 792 1 1 . 1 1 146 146 LYS CB C 146 33.562 33.562 33.911 -0.349 25834 793 1 1 . 1 1 146 146 LYS H H 146 8.755 8.755 8.030 0.725 25834 794 1 1 . 1 1 147 147 ARG N N 147 115.303 115.303 116.882 -1.579 25834 795 1 1 . 1 1 147 147 ARG HA H 147 3.657 3.657 3.943 -0.286 25834 796 1 1 . 1 1 147 147 ARG C C 147 174.121 174.121 174.761 -0.640 25834 797 1 1 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.400 1.072 25834 798 1 1 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.042 -0.649 25834 799 1 1 . 1 1 147 147 ARG H H 147 9.124 9.124 8.447 0.677 25834 800 1 1 . 1 1 148 148 ARG N N 148 118.994 118.994 115.840 3.154 25834 801 1 1 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.711 0.251 25834 802 1 1 . 1 1 148 148 ARG C C 148 173.769 173.769 173.547 0.222 25834 803 1 1 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.075 0.411 25834 804 1 1 . 1 1 148 148 ARG CB C 148 32.396 32.396 32.454 -0.058 25834 805 1 1 . 1 1 148 148 ARG H H 148 8.133 8.133 7.734 0.399 25834 806 1 1 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.530 0.108 25834 807 1 1 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.286 -0.646 25834 808 1 1 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.661 0.139 25834 809 1 1 . 1 1 150 150 LEU N N 150 129.239 129.239 126.324 2.915 25834 810 1 1 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.798 0.178 25834 811 1 1 . 1 1 150 150 LEU C C 150 173.433 173.433 175.440 -2.007 25834 812 1 1 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.805 -0.450 25834 813 1 1 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.018 2.235 25834 814 1 1 . 1 1 150 150 LEU H H 150 8.850 8.850 8.616 0.234 25834 815 1 1 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.770 -0.439 25834 816 1 1 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.287 1.914 25834 817 1 1 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.467 1.206 25834 818 1 1 . 1 1 152 152 ALA N N 152 123.538 123.538 127.741 -4.203 25834 819 1 1 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.841 0.042 25834 820 1 1 . 1 1 152 152 ALA C C 152 172.551 172.551 175.575 -3.024 25834 821 1 1 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.018 -0.901 25834 822 1 1 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.189 -1.087 25834 823 1 1 . 1 1 152 152 ALA H H 152 8.741 8.741 8.531 0.210 25834 824 1 1 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.496 0.141 25834 825 1 1 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.245 -0.165 25834 826 1 1 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.676 0.654 25834 827 1 1 . 1 1 154 154 VAL N N 154 121.024 121.024 115.142 5.882 25834 828 1 1 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.601 -0.277 25834 829 1 1 . 1 1 154 154 VAL C C 154 176.371 176.371 176.474 -0.103 25834 830 1 1 . 1 1 154 154 VAL CA C 154 65.636 65.636 63.118 2.518 25834 831 1 1 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.406 0.107 25834 832 1 1 . 1 1 154 154 VAL H H 154 8.653 8.653 8.325 0.328 25834 833 1 1 . 1 1 155 155 GLY N N 155 116.464 116.464 113.759 2.705 25834 834 1 1 . 1 1 155 155 GLY C C 155 174.707 174.707 174.317 0.390 25834 835 1 1 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.296 -0.987 25834 836 1 1 . 1 1 155 155 GLY H H 155 9.242 9.242 8.795 0.447 25834 837 1 1 . 1 1 156 156 SER N N 156 117.176 117.176 115.809 1.367 25834 838 1 1 . 1 1 156 156 SER HA H 156 4.684 4.684 4.718 -0.034 25834 839 1 1 . 1 1 156 156 SER C C 156 172.437 172.437 173.098 -0.661 25834 840 1 1 . 1 1 156 156 SER CA C 156 60.271 60.271 57.459 2.812 25834 841 1 1 . 1 1 156 156 SER CB C 156 64.119 64.119 65.640 -1.521 25834 842 1 1 . 1 1 156 156 SER H H 156 8.166 8.166 7.602 0.564 25834 843 1 1 . 1 1 157 157 SER N N 157 117.025 117.025 114.226 2.799 25834 844 1 1 . 1 1 157 157 SER HA H 157 5.334 5.334 5.374 -0.040 25834 845 1 1 . 1 1 157 157 SER C C 157 173.729 173.729 172.833 0.896 25834 846 1 1 . 1 1 157 157 SER CA C 157 56.737 56.737 57.292 -0.555 25834 847 1 1 . 1 1 157 157 SER CB C 157 65.445 65.445 67.181 -1.736 25834 848 1 1 . 1 1 157 157 SER H H 157 8.371 8.371 8.284 0.088 25834 849 1 1 . 1 1 158 158 ILE N N 158 126.089 126.089 118.641 7.448 25834 850 1 1 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.382 0.437 25834 851 1 1 . 1 1 158 158 ILE C C 158 174.471 174.471 174.017 0.454 25834 852 1 1 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.514 -0.465 25834 853 1 1 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.798 0.636 25834 854 1 1 . 1 1 158 158 ILE H H 158 9.601 9.601 8.356 1.245 25834 855 1 1 . 1 1 159 159 GLN N N 159 123.323 123.323 121.573 1.750 25834 856 1 1 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.963 -0.401 25834 857 1 1 . 1 1 159 159 GLN C C 159 174.219 174.219 174.256 -0.037 25834 858 1 1 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.584 0.520 25834 859 1 1 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.038 0.589 25834 860 1 1 . 1 1 159 159 GLN H H 159 8.290 8.290 8.234 0.056 25834 861 1 1 . 1 1 160 160 PHE N N 160 124.084 124.084 119.791 4.293 25834 862 1 1 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.937 -0.373 25834 863 1 1 . 1 1 160 160 PHE C C 160 174.368 174.368 173.947 0.421 25834 864 1 1 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.693 -0.278 25834 865 1 1 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.454 -0.777 25834 866 1 1 . 1 1 160 160 PHE H H 160 9.622 9.622 8.860 0.762 25834 867 1 1 . 1 1 161 161 GLY N N 161 108.516 108.516 111.448 -2.932 25834 868 1 1 . 1 1 161 161 GLY C C 161 173.064 173.064 173.722 -0.658 25834 869 1 1 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.573 0.599 25834 870 1 1 . 1 1 161 161 GLY H H 161 8.409 8.409 7.952 0.457 25834 871 1 1 . 1 1 162 162 PHE N N 162 123.240 123.240 121.670 1.570 25834 872 1 1 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.588 0.353 25834 873 1 1 . 1 1 162 162 PHE C C 162 175.982 175.982 175.539 0.443 25834 874 1 1 . 1 1 162 162 PHE CA C 162 54.061 54.061 57.405 -3.344 25834 875 1 1 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.174 -1.083 25834 876 1 1 . 1 1 162 162 PHE H H 162 8.848 8.848 8.229 0.619 25834 877 1 1 . 1 1 163 163 SER N N 163 113.673 113.673 114.644 -0.971 25834 878 1 1 . 1 1 163 163 SER HA H 163 4.001 4.001 3.729 0.272 25834 879 1 1 . 1 1 163 163 SER C C 163 176.303 176.303 174.548 1.755 25834 880 1 1 . 1 1 163 163 SER CA C 163 58.004 58.004 58.153 -0.149 25834 881 1 1 . 1 1 163 163 SER CB C 163 62.297 62.297 63.645 -1.348 25834 882 1 1 . 1 1 163 163 SER H H 163 7.071 7.071 6.878 0.193 25834 883 1 1 . 1 1 164 164 SER N N 164 126.213 126.213 116.579 9.634 25834 884 1 1 . 1 1 164 164 SER HA H 164 4.188 4.188 4.268 -0.080 25834 885 1 1 . 1 1 164 164 SER C C 164 174.499 174.499 174.546 -0.047 25834 886 1 1 . 1 1 164 164 SER CA C 164 59.606 59.606 59.334 0.272 25834 887 1 1 . 1 1 164 164 SER CB C 164 63.841 63.841 63.308 0.533 25834 888 1 1 . 1 1 164 164 SER H H 164 9.901 9.901 8.607 1.294 25834 889 1 1 . 1 1 165 165 ARG N N 165 122.909 122.909 121.305 1.604 25834 890 1 1 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.381 -0.161 25834 891 1 1 . 1 1 165 165 ARG C C 165 175.560 175.560 175.175 0.385 25834 892 1 1 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.511 0.938 25834 893 1 1 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.134 0.857 25834 894 1 1 . 1 1 165 165 ARG H H 165 8.096 8.096 7.647 0.449 25834 895 1 1 . 1 1 166 166 VAL N N 166 123.934 123.934 120.932 3.002 25834 896 1 1 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.159 -0.001 25834 897 1 1 . 1 1 166 166 VAL C C 166 174.398 174.398 174.577 -0.179 25834 898 1 1 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.197 1.845 25834 899 1 1 . 1 1 166 166 VAL CB C 166 33.399 33.399 34.561 -1.162 25834 900 1 1 . 1 1 166 166 VAL H H 166 8.756 8.756 7.769 0.987 25834 901 1 1 . 1 1 167 167 TYR N N 167 126.353 126.353 125.678 0.675 25834 902 1 1 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.023 0.179 25834 903 1 1 . 1 1 167 167 TYR C C 167 174.823 174.823 175.229 -0.406 25834 904 1 1 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.458 -0.555 25834 905 1 1 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.243 1.613 25834 906 1 1 . 1 1 167 167 TYR H H 167 8.637 8.637 8.128 0.509 25834 907 1 1 . 1 1 168 168 LYS N N 168 123.312 123.312 125.517 -2.205 25834 908 1 1 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.811 0.675 25834 909 1 1 . 1 1 168 168 LYS C C 168 176.634 176.634 175.494 1.140 25834 910 1 1 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.496 -0.584 25834 911 1 1 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.984 1.917 25834 912 1 1 . 1 1 168 168 LYS H H 168 9.005 9.005 8.827 0.178 25834 913 1 1 . 1 1 169 169 VAL N N 169 125.863 125.863 125.951 -0.088 25834 914 1 1 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.414 -0.596 25834 915 1 1 . 1 1 169 169 VAL C C 169 175.804 175.804 175.492 0.312 25834 916 1 1 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.753 1.102 25834 917 1 1 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.713 -1.776 25834 918 1 1 . 1 1 169 169 VAL H H 169 8.305 8.305 8.121 0.184 25834 919 1 1 . 1 1 170 170 GLN N N 170 129.871 129.871 123.185 6.686 25834 920 1 1 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.550 0.317 25834 921 1 1 . 1 1 170 170 GLN C C 170 174.293 174.293 173.028 1.265 25834 922 1 1 . 1 1 170 170 GLN CA C 170 53.818 53.818 54.944 -1.126 25834 923 1 1 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.252 -0.571 25834 924 1 1 . 1 1 170 170 GLN H H 170 9.124 9.124 8.093 1.031 25834 925 1 1 . 1 1 171 171 LEU N N 171 122.168 122.168 124.296 -2.128 25834 926 1 1 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.529 -0.037 25834 927 1 1 . 1 1 171 171 LEU C C 171 177.672 177.672 176.140 1.532 25834 928 1 1 . 1 1 171 171 LEU CA C 171 55.951 55.951 54.288 1.663 25834 929 1 1 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.561 0.462 25834 930 1 1 . 1 1 171 171 LEU H H 171 8.569 8.569 8.360 0.209 25834 931 1 1 . 1 1 172 172 GLY N N 172 111.174 111.174 113.331 -2.157 25834 932 1 1 . 1 1 172 172 GLY C C 172 171.895 171.895 172.841 -0.946 25834 933 1 1 . 1 1 172 172 GLY CA C 172 44.179 44.179 43.514 0.665 25834 934 1 1 . 1 1 172 172 GLY H H 172 8.588 8.588 8.160 0.428 25834 935 1 1 . 1 1 175 175 SER N N 175 115.756 115.756 119.957 -4.201 25834 936 1 1 . 1 1 175 175 SER HA H 175 4.274 4.274 4.272 0.002 25834 937 1 1 . 1 1 175 175 SER C C 175 174.314 174.314 175.182 -0.868 25834 938 1 1 . 1 1 175 175 SER CA C 175 57.998 57.998 59.276 -1.278 25834 939 1 1 . 1 1 175 175 SER CB C 175 63.886 63.886 63.471 0.415 25834 940 1 1 . 1 1 175 175 SER H H 175 7.661 7.661 8.600 -0.939 25834 941 1 1 . 1 1 176 176 SER N N 176 117.882 117.882 117.980 -0.098 25834 942 1 1 . 1 1 176 176 SER HA H 176 4.698 4.698 4.623 0.075 25834 943 1 1 . 1 1 176 176 SER C C 176 173.521 173.521 174.032 -0.511 25834 944 1 1 . 1 1 176 176 SER CA C 176 58.601 58.601 57.477 1.124 25834 945 1 1 . 1 1 176 176 SER CB C 176 64.242 64.242 63.912 0.330 25834 946 1 1 . 1 1 176 176 SER H H 176 8.265 8.265 8.027 0.238 25834 947 1 2 . 1 1 1 1 MET N N 1 121.215 121.215 121.049 0.166 25834 948 1 2 . 1 1 1 1 MET HA H 1 4.416 4.416 4.755 -0.339 25834 949 1 2 . 1 1 1 1 MET C C 1 176.061 176.061 175.320 0.741 25834 950 1 2 . 1 1 1 1 MET CA C 1 55.827 55.827 54.790 1.037 25834 951 1 2 . 1 1 1 1 MET CB C 1 32.869 32.869 33.942 -1.073 25834 952 1 2 . 1 1 1 1 MET H H 1 8.477 8.477 8.201 0.276 25834 953 1 2 . 1 1 2 2 VAL N N 2 122.483 122.483 124.292 -1.809 25834 954 1 2 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.381 -0.214 25834 955 1 2 . 1 1 2 2 VAL C C 2 176.225 176.225 175.824 0.401 25834 956 1 2 . 1 1 2 2 VAL CA C 2 62.156 62.156 61.398 0.758 25834 957 1 2 . 1 1 2 2 VAL CB C 2 32.855 32.855 33.176 -0.321 25834 958 1 2 . 1 1 2 2 VAL H H 2 8.213 8.213 8.338 -0.125 25834 959 1 2 . 1 1 3 3 THR N N 3 117.952 117.952 117.425 0.527 25834 960 1 2 . 1 1 3 3 THR HA H 3 4.353 4.353 4.493 -0.140 25834 961 1 2 . 1 1 3 3 THR C C 3 174.614 174.614 174.682 -0.068 25834 962 1 2 . 1 1 3 3 THR CA C 3 61.571 61.571 61.767 -0.196 25834 963 1 2 . 1 1 3 3 THR CB C 3 69.948 69.948 69.672 0.276 25834 964 1 2 . 1 1 3 3 THR H H 3 8.228 8.228 8.264 -0.036 25834 965 1 2 . 1 1 4 4 SER N N 4 118.076 118.076 119.564 -1.488 25834 966 1 2 . 1 1 4 4 SER HA H 4 4.490 4.490 4.676 -0.186 25834 967 1 2 . 1 1 4 4 SER C C 4 174.867 174.867 174.688 0.179 25834 968 1 2 . 1 1 4 4 SER CA C 4 58.451 58.451 58.697 -0.246 25834 969 1 2 . 1 1 4 4 SER CB C 4 63.853 63.853 63.722 0.131 25834 970 1 2 . 1 1 4 4 SER H H 4 8.350 8.350 8.390 -0.040 25834 971 1 2 . 1 1 5 5 THR N N 5 115.176 115.176 117.896 -2.720 25834 972 1 2 . 1 1 5 5 THR HA H 5 4.277 4.277 4.338 -0.061 25834 973 1 2 . 1 1 5 5 THR C C 5 175.173 175.173 174.991 0.182 25834 974 1 2 . 1 1 5 5 THR CA C 5 62.114 62.114 61.900 0.214 25834 975 1 2 . 1 1 5 5 THR CB C 5 69.702 69.702 69.260 0.442 25834 976 1 2 . 1 1 5 5 THR H H 5 8.125 8.125 8.282 -0.157 25834 977 1 2 . 1 1 6 6 GLY N N 6 110.725 110.725 109.100 1.625 25834 978 1 2 . 1 1 6 6 GLY C C 6 173.939 173.939 174.133 -0.194 25834 979 1 2 . 1 1 6 6 GLY CA C 6 45.253 45.253 44.990 0.263 25834 980 1 2 . 1 1 6 6 GLY H H 6 8.289 8.289 8.009 0.280 25834 981 1 2 . 1 1 7 7 LEU N N 7 121.627 121.627 121.839 -0.212 25834 982 1 2 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.499 -0.253 25834 983 1 2 . 1 1 7 7 LEU C C 7 177.317 177.317 176.103 1.214 25834 984 1 2 . 1 1 7 7 LEU CA C 7 55.509 55.509 54.981 0.528 25834 985 1 2 . 1 1 7 7 LEU CB C 7 42.507 42.507 41.434 1.073 25834 986 1 2 . 1 1 7 7 LEU H H 7 7.984 7.984 7.817 0.167 25834 987 1 2 . 1 1 8 8 LEU N N 8 122.317 122.317 126.414 -4.097 25834 988 1 2 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.694 -0.390 25834 989 1 2 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.806 0.483 25834 990 1 2 . 1 1 8 8 LEU CB C 8 42.314 42.314 45.137 -2.823 25834 991 1 2 . 1 1 8 8 LEU H H 8 8.163 8.163 8.261 -0.098 25834 992 1 2 . 1 1 9 9 SER N N 9 116.218 116.218 118.635 -2.417 25834 993 1 2 . 1 1 9 9 SER HA H 9 4.315 4.315 4.707 -0.392 25834 994 1 2 . 1 1 9 9 SER CA C 9 58.253 58.253 57.812 0.441 25834 995 1 2 . 1 1 9 9 SER CB C 9 63.786 63.786 64.018 -0.232 25834 996 1 2 . 1 1 9 9 SER H H 9 8.088 8.088 8.443 -0.355 25834 997 1 2 . 1 1 10 10 ARG N N 10 122.939 122.939 122.189 0.750 25834 998 1 2 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.617 -0.312 25834 999 1 2 . 1 1 10 10 ARG C C 10 177.734 177.734 174.990 2.744 25834 1000 1 2 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.627 0.662 25834 1001 1 2 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.177 -0.586 25834 1002 1 2 . 1 1 10 10 ARG H H 10 8.211 8.211 8.371 -0.160 25834 1003 1 2 . 1 1 11 11 VAL N N 11 120.980 120.980 121.838 -0.858 25834 1004 1 2 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.370 -0.365 25834 1005 1 2 . 1 1 11 11 VAL C C 11 175.793 175.793 175.028 0.765 25834 1006 1 2 . 1 1 11 11 VAL CA C 11 62.353 62.353 62.364 -0.011 25834 1007 1 2 . 1 1 11 11 VAL CB C 11 32.668 32.668 34.033 -1.365 25834 1008 1 2 . 1 1 11 11 VAL H H 11 8.006 8.006 8.575 -0.569 25834 1009 1 2 . 1 1 12 12 ALA N N 12 127.736 127.736 130.121 -2.385 25834 1010 1 2 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.565 -0.333 25834 1011 1 2 . 1 1 12 12 ALA C C 12 177.174 177.174 175.723 1.451 25834 1012 1 2 . 1 1 12 12 ALA CA C 12 52.429 52.429 52.013 0.416 25834 1013 1 2 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.547 -0.320 25834 1014 1 2 . 1 1 12 12 ALA H H 12 8.246 8.246 8.343 -0.097 25834 1015 1 2 . 1 1 13 13 ALA N N 13 123.061 123.061 126.881 -3.820 25834 1016 1 2 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.795 -0.558 25834 1017 1 2 . 1 1 13 13 ALA C C 13 177.800 177.800 176.966 0.834 25834 1018 1 2 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.536 0.909 25834 1019 1 2 . 1 1 13 13 ALA CB C 13 19.115 19.115 20.169 -1.054 25834 1020 1 2 . 1 1 13 13 ALA H H 13 8.158 8.158 8.177 -0.019 25834 1021 1 2 . 1 1 14 14 VAL N N 14 119.391 119.391 123.179 -3.788 25834 1022 1 2 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.242 -0.242 25834 1023 1 2 . 1 1 14 14 VAL C C 14 176.284 176.284 175.097 1.187 25834 1024 1 2 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.224 0.113 25834 1025 1 2 . 1 1 14 14 VAL CB C 14 32.739 32.739 30.912 1.827 25834 1026 1 2 . 1 1 14 14 VAL H H 14 7.988 7.988 8.414 -0.426 25834 1027 1 2 . 1 1 15 15 GLU N N 15 124.744 124.744 125.588 -0.844 25834 1028 1 2 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.694 -0.494 25834 1029 1 2 . 1 1 15 15 GLU C C 15 176.542 176.542 175.388 1.154 25834 1030 1 2 . 1 1 15 15 GLU CA C 15 56.541 56.541 56.116 0.425 25834 1031 1 2 . 1 1 15 15 GLU CB C 15 30.528 30.528 31.155 -0.627 25834 1032 1 2 . 1 1 15 15 GLU H H 15 8.369 8.369 8.713 -0.344 25834 1033 1 2 . 1 1 16 16 LYS N N 16 122.786 122.786 121.760 1.026 25834 1034 1 2 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.720 -0.523 25834 1035 1 2 . 1 1 16 16 LYS C C 16 176.218 176.218 175.648 0.570 25834 1036 1 2 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.677 0.576 25834 1037 1 2 . 1 1 16 16 LYS CB C 16 32.898 32.898 33.412 -0.514 25834 1038 1 2 . 1 1 16 16 LYS H H 16 8.264 8.264 8.583 -0.319 25834 1039 1 2 . 1 1 17 17 ALA N N 17 125.458 125.458 122.708 2.750 25834 1040 1 2 . 1 1 17 17 ALA HA H 17 4.184 4.184 5.212 -1.028 25834 1041 1 2 . 1 1 17 17 ALA C C 17 177.579 177.579 175.649 1.930 25834 1042 1 2 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.457 1.059 25834 1043 1 2 . 1 1 17 17 ALA CB C 17 19.105 19.105 21.067 -1.962 25834 1044 1 2 . 1 1 17 17 ALA H H 17 8.226 8.226 8.909 -0.683 25834 1045 1 2 . 1 1 18 18 ALA N N 18 123.616 123.616 122.940 0.676 25834 1046 1 2 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.515 -0.291 25834 1047 1 2 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.871 0.649 25834 1048 1 2 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.128 -1.001 25834 1049 1 2 . 1 1 18 18 ALA H H 18 8.153 8.153 8.397 -0.244 25834 1050 1 2 . 1 1 19 19 GLU N N 19 120.282 120.282 123.755 -3.473 25834 1051 1 2 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.665 -0.466 25834 1052 1 2 . 1 1 19 19 GLU CA C 19 56.370 56.370 55.890 0.480 25834 1053 1 2 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.377 0.260 25834 1054 1 2 . 1 1 19 19 GLU H H 19 8.209 8.209 8.531 -0.322 25834 1055 1 2 . 1 1 20 20 ILE N N 20 122.046 122.046 124.236 -2.190 25834 1056 1 2 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.321 -0.261 25834 1057 1 2 . 1 1 20 20 ILE C C 20 175.806 175.806 176.107 -0.301 25834 1058 1 2 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.300 -0.320 25834 1059 1 2 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.165 0.525 25834 1060 1 2 . 1 1 20 20 ILE H H 20 8.038 8.038 8.633 -0.595 25834 1061 1 2 . 1 1 21 21 ALA N N 21 128.175 128.175 131.780 -3.605 25834 1062 1 2 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.738 -0.553 25834 1063 1 2 . 1 1 21 21 ALA C C 21 175.942 175.942 175.737 0.205 25834 1064 1 2 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.516 0.931 25834 1065 1 2 . 1 1 21 21 ALA CB C 21 19.297 19.297 20.641 -1.344 25834 1066 1 2 . 1 1 21 21 ALA H H 21 8.224 8.224 8.536 -0.312 25834 1067 1 2 . 1 1 22 22 LYS N N 22 120.107 120.107 120.833 -0.726 25834 1068 1 2 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.593 -0.366 25834 1069 1 2 . 1 1 22 22 LYS C C 22 174.303 174.303 174.358 -0.055 25834 1070 1 2 . 1 1 22 22 LYS CA C 22 53.397 53.397 55.060 -1.663 25834 1071 1 2 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.141 2.318 25834 1072 1 2 . 1 1 22 22 LYS H H 22 7.903 7.903 8.412 -0.509 25834 1073 1 2 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.478 -0.135 25834 1074 1 2 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.472 0.221 25834 1075 1 2 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.495 -0.435 25834 1076 1 2 . 1 1 27 27 LYS N N 27 121.752 121.752 121.204 0.548 25834 1077 1 2 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.270 -0.056 25834 1078 1 2 . 1 1 27 27 LYS C C 27 176.450 176.450 176.976 -0.526 25834 1079 1 2 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.965 0.244 25834 1080 1 2 . 1 1 27 27 LYS CB C 27 32.935 32.935 31.317 1.618 25834 1081 1 2 . 1 1 27 27 LYS H H 27 8.253 8.253 8.276 -0.023 25834 1082 1 2 . 1 1 28 28 VAL N N 28 123.000 123.000 119.951 3.049 25834 1083 1 2 . 1 1 28 28 VAL HA H 28 4.004 4.004 3.953 0.051 25834 1084 1 2 . 1 1 28 28 VAL C C 28 175.672 175.672 176.091 -0.419 25834 1085 1 2 . 1 1 28 28 VAL CA C 28 62.268 62.268 62.330 -0.062 25834 1086 1 2 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.275 0.607 25834 1087 1 2 . 1 1 28 28 VAL H H 28 8.128 8.128 8.203 -0.075 25834 1088 1 2 . 1 1 29 29 VAL N N 29 126.899 126.899 120.963 5.936 25834 1089 1 2 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.347 -0.476 25834 1090 1 2 . 1 1 29 29 VAL C C 29 174.835 174.835 175.596 -0.761 25834 1091 1 2 . 1 1 29 29 VAL CA C 29 62.288 62.288 61.857 0.431 25834 1092 1 2 . 1 1 29 29 VAL CB C 29 32.811 32.811 33.042 -0.231 25834 1093 1 2 . 1 1 29 29 VAL H H 29 8.144 8.144 8.191 -0.047 25834 1094 1 2 . 1 1 30 30 GLU N N 30 125.745 125.745 126.216 -0.471 25834 1095 1 2 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.535 -0.348 25834 1096 1 2 . 1 1 30 30 GLU C C 30 177.203 177.203 175.133 2.070 25834 1097 1 2 . 1 1 30 30 GLU CA C 30 55.688 55.688 55.135 0.553 25834 1098 1 2 . 1 1 30 30 GLU CB C 30 30.501 30.501 30.777 -0.276 25834 1099 1 2 . 1 1 30 30 GLU H H 30 8.239 8.239 8.556 -0.317 25834 1100 1 2 . 1 1 31 31 LEU N N 31 125.229 125.229 119.419 5.810 25834 1101 1 2 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.266 0.561 25834 1102 1 2 . 1 1 31 31 LEU C C 31 178.237 178.237 175.548 2.689 25834 1103 1 2 . 1 1 31 31 LEU CA C 31 54.633 54.633 55.352 -0.719 25834 1104 1 2 . 1 1 31 31 LEU CB C 31 43.356 43.356 42.223 1.133 25834 1105 1 2 . 1 1 31 31 LEU H H 31 8.513 8.513 8.119 0.394 25834 1106 1 2 . 1 1 32 32 THR N N 32 113.162 113.162 116.447 -3.285 25834 1107 1 2 . 1 1 32 32 THR HA H 32 4.184 4.184 4.474 -0.290 25834 1108 1 2 . 1 1 32 32 THR C C 32 174.923 174.923 175.622 -0.699 25834 1109 1 2 . 1 1 32 32 THR CA C 32 61.002 61.002 60.343 0.659 25834 1110 1 2 . 1 1 32 32 THR CB C 32 70.848 70.848 70.110 0.738 25834 1111 1 2 . 1 1 32 32 THR H H 32 8.444 8.444 8.102 0.342 25834 1112 1 2 . 1 1 33 33 GLU N N 33 119.849 119.849 121.420 -1.571 25834 1113 1 2 . 1 1 33 33 GLU HA H 33 3.756 3.756 3.995 -0.239 25834 1114 1 2 . 1 1 33 33 GLU C C 33 178.906 178.906 177.146 1.760 25834 1115 1 2 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.281 0.574 25834 1116 1 2 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.018 -0.115 25834 1117 1 2 . 1 1 33 33 GLU H H 33 8.614 8.614 8.787 -0.173 25834 1118 1 2 . 1 1 34 34 ALA N N 34 118.382 118.382 121.358 -2.976 25834 1119 1 2 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.330 -0.360 25834 1120 1 2 . 1 1 34 34 ALA C C 34 180.554 180.554 178.284 2.270 25834 1121 1 2 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.135 1.448 25834 1122 1 2 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.317 0.459 25834 1123 1 2 . 1 1 34 34 ALA H H 34 8.102 8.102 8.049 0.053 25834 1124 1 2 . 1 1 35 35 ALA N N 35 121.658 121.658 121.165 0.493 25834 1125 1 2 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.290 -0.445 25834 1126 1 2 . 1 1 35 35 ALA C C 35 178.231 178.231 179.573 -1.342 25834 1127 1 2 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.224 0.282 25834 1128 1 2 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.762 0.383 25834 1129 1 2 . 1 1 35 35 ALA H H 35 7.456 7.456 7.744 -0.288 25834 1130 1 2 . 1 1 36 36 LYS N N 36 114.479 114.479 118.980 -4.501 25834 1131 1 2 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.039 -0.183 25834 1132 1 2 . 1 1 36 36 LYS C C 36 176.884 176.884 177.747 -0.863 25834 1133 1 2 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.194 0.606 25834 1134 1 2 . 1 1 36 36 LYS CB C 36 32.820 32.820 31.807 1.013 25834 1135 1 2 . 1 1 36 36 LYS H H 36 7.897 7.897 8.335 -0.438 25834 1136 1 2 . 1 1 37 37 GLN N N 37 114.203 114.203 117.943 -3.740 25834 1137 1 2 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.204 -0.004 25834 1138 1 2 . 1 1 37 37 GLN C C 37 176.478 176.478 176.258 0.220 25834 1139 1 2 . 1 1 37 37 GLN CA C 37 55.119 55.119 57.108 -1.989 25834 1140 1 2 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.993 -0.610 25834 1141 1 2 . 1 1 37 37 GLN H H 37 6.970 6.970 8.378 -1.408 25834 1142 1 2 . 1 1 38 38 LEU N N 38 120.478 120.478 118.392 2.086 25834 1143 1 2 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.808 -0.963 25834 1144 1 2 . 1 1 38 38 LEU C C 38 171.820 171.820 174.984 -3.164 25834 1145 1 2 . 1 1 38 38 LEU CA C 38 53.862 53.862 52.104 1.758 25834 1146 1 2 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.520 -1.503 25834 1147 1 2 . 1 1 38 38 LEU H H 38 7.155 7.155 7.437 -0.282 25834 1148 1 2 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.494 -0.169 25834 1149 1 2 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.267 0.683 25834 1150 1 2 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.442 -0.360 25834 1151 1 2 . 1 1 40 40 GLN N N 40 125.695 125.695 119.225 6.470 25834 1152 1 2 . 1 1 40 40 GLN HA H 40 3.784 3.784 3.965 -0.181 25834 1153 1 2 . 1 1 40 40 GLN C C 40 177.994 177.994 177.243 0.751 25834 1154 1 2 . 1 1 40 40 GLN CA C 40 59.489 59.489 55.640 3.849 25834 1155 1 2 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.213 -1.086 25834 1156 1 2 . 1 1 40 40 GLN H H 40 9.245 9.245 8.353 0.892 25834 1157 1 2 . 1 1 41 41 HIS N N 41 125.870 125.870 118.612 7.258 25834 1158 1 2 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.334 0.195 25834 1159 1 2 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.396 -0.988 25834 1160 1 2 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.778 -0.389 25834 1161 1 2 . 1 1 41 41 HIS H H 41 11.289 11.289 8.526 2.763 25834 1162 1 2 . 1 1 42 42 ILE N N 42 119.609 119.609 116.233 3.376 25834 1163 1 2 . 1 1 42 42 ILE HA H 42 3.867 3.867 4.070 -0.203 25834 1164 1 2 . 1 1 42 42 ILE C C 42 178.715 178.715 177.416 1.299 25834 1165 1 2 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.441 -3.318 25834 1166 1 2 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.097 -1.549 25834 1167 1 2 . 1 1 42 42 ILE H H 42 6.700 6.700 7.764 -1.064 25834 1168 1 2 . 1 1 43 43 ILE N N 43 122.532 122.532 118.842 3.690 25834 1169 1 2 . 1 1 43 43 ILE HA H 43 3.499 3.499 4.098 -0.599 25834 1170 1 2 . 1 1 43 43 ILE C C 43 178.325 178.325 177.171 1.154 25834 1171 1 2 . 1 1 43 43 ILE CA C 43 65.537 65.537 62.981 2.556 25834 1172 1 2 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.853 0.385 25834 1173 1 2 . 1 1 43 43 ILE H H 43 7.673 7.673 7.664 0.009 25834 1174 1 2 . 1 1 44 44 GLY N N 44 101.559 101.559 106.454 -4.895 25834 1175 1 2 . 1 1 44 44 GLY C C 44 174.914 174.914 175.013 -0.099 25834 1176 1 2 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.624 -0.261 25834 1177 1 2 . 1 1 44 44 GLY H H 44 7.938 7.938 7.981 -0.043 25834 1178 1 2 . 1 1 45 45 VAL N N 45 106.862 106.862 118.753 -11.891 25834 1179 1 2 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.237 0.521 25834 1180 1 2 . 1 1 45 45 VAL C C 45 175.397 175.397 176.100 -0.703 25834 1181 1 2 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.379 -1.848 25834 1182 1 2 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.976 0.048 25834 1183 1 2 . 1 1 45 45 VAL H H 45 6.843 6.843 7.369 -0.526 25834 1184 1 2 . 1 1 46 46 THR N N 46 117.226 117.226 114.980 2.246 25834 1185 1 2 . 1 1 46 46 THR HA H 46 4.447 4.447 4.429 0.018 25834 1186 1 2 . 1 1 46 46 THR C C 46 172.087 172.087 173.908 -1.821 25834 1187 1 2 . 1 1 46 46 THR CA C 46 62.571 62.571 61.088 1.483 25834 1188 1 2 . 1 1 46 46 THR CB C 46 68.863 68.863 70.420 -1.557 25834 1189 1 2 . 1 1 46 46 THR H H 46 7.093 7.093 7.462 -0.369 25834 1190 1 2 . 1 1 47 47 ASP N N 47 127.436 127.436 121.310 6.126 25834 1191 1 2 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.843 -0.226 25834 1192 1 2 . 1 1 47 47 ASP C C 47 174.684 174.684 176.840 -2.156 25834 1193 1 2 . 1 1 47 47 ASP CA C 47 52.604 52.604 52.168 0.436 25834 1194 1 2 . 1 1 47 47 ASP CB C 47 42.737 42.737 42.325 0.412 25834 1195 1 2 . 1 1 47 47 ASP H H 47 7.612 7.612 8.320 -0.708 25834 1196 1 2 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.359 -0.370 25834 1197 1 2 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.312 -0.284 25834 1198 1 2 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.102 0.177 25834 1199 1 2 . 1 1 49 49 THR N N 49 114.121 114.121 112.988 1.133 25834 1200 1 2 . 1 1 49 49 THR HA H 49 4.189 4.189 4.326 -0.137 25834 1201 1 2 . 1 1 49 49 THR C C 49 177.000 177.000 176.392 0.608 25834 1202 1 2 . 1 1 49 49 THR CA C 49 66.844 66.844 65.251 1.593 25834 1203 1 2 . 1 1 49 49 THR CB C 49 67.824 67.824 68.993 -1.169 25834 1204 1 2 . 1 1 49 49 THR H H 49 7.942 7.942 8.384 -0.442 25834 1205 1 2 . 1 1 50 50 LYS N N 50 123.787 123.787 122.984 0.803 25834 1206 1 2 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.335 -0.418 25834 1207 1 2 . 1 1 50 50 LYS C C 50 177.547 177.547 178.465 -0.918 25834 1208 1 2 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.339 0.393 25834 1209 1 2 . 1 1 50 50 LYS CB C 50 33.315 33.315 31.827 1.488 25834 1210 1 2 . 1 1 50 50 LYS H H 50 7.070 7.070 7.930 -0.860 25834 1211 1 2 . 1 1 51 51 LEU N N 51 115.307 115.307 116.867 -1.560 25834 1212 1 2 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.137 -0.332 25834 1213 1 2 . 1 1 51 51 LEU C C 51 178.314 178.314 177.693 0.621 25834 1214 1 2 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.834 0.160 25834 1215 1 2 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.813 -0.597 25834 1216 1 2 . 1 1 51 51 LEU H H 51 7.439 7.439 7.990 -0.551 25834 1217 1 2 . 1 1 52 52 ASN N N 52 115.979 115.979 117.156 -1.177 25834 1218 1 2 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.601 -0.329 25834 1219 1 2 . 1 1 52 52 ASN C C 52 178.387 178.387 177.595 0.792 25834 1220 1 2 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.442 -0.277 25834 1221 1 2 . 1 1 52 52 ASN CB C 52 37.891 37.891 39.253 -1.362 25834 1222 1 2 . 1 1 52 52 ASN H H 52 8.533 8.533 7.696 0.837 25834 1223 1 2 . 1 1 53 53 ALA N N 53 119.261 119.261 122.867 -3.606 25834 1224 1 2 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.142 0.088 25834 1225 1 2 . 1 1 53 53 ALA C C 53 179.957 179.957 180.305 -0.348 25834 1226 1 2 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.776 -0.739 25834 1227 1 2 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.140 1.182 25834 1228 1 2 . 1 1 53 53 ALA H H 53 7.681 7.681 7.703 -0.022 25834 1229 1 2 . 1 1 54 54 GLN N N 54 111.586 111.586 118.396 -6.810 25834 1230 1 2 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.333 0.073 25834 1231 1 2 . 1 1 54 54 GLN C C 54 178.500 178.500 178.060 0.440 25834 1232 1 2 . 1 1 54 54 GLN CA C 54 57.793 57.793 58.230 -0.438 25834 1233 1 2 . 1 1 54 54 GLN CB C 54 29.431 29.431 28.536 0.895 25834 1234 1 2 . 1 1 54 54 GLN H H 54 7.905 7.905 7.784 0.121 25834 1235 1 2 . 1 1 55 55 VAL N N 55 120.362 120.362 118.742 1.620 25834 1236 1 2 . 1 1 55 55 VAL HA H 55 4.205 4.205 4.041 0.164 25834 1237 1 2 . 1 1 55 55 VAL C C 55 174.795 174.795 176.590 -1.795 25834 1238 1 2 . 1 1 55 55 VAL CA C 55 64.682 64.682 64.323 0.359 25834 1239 1 2 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.525 -1.138 25834 1240 1 2 . 1 1 55 55 VAL H H 55 8.137 8.137 8.303 -0.166 25834 1241 1 2 . 1 1 56 56 SER N N 56 114.478 114.478 113.915 0.563 25834 1242 1 2 . 1 1 56 56 SER HA H 56 3.882 3.882 4.133 -0.251 25834 1243 1 2 . 1 1 56 56 SER C C 56 174.256 174.256 174.523 -0.267 25834 1244 1 2 . 1 1 56 56 SER CA C 56 60.480 60.480 59.592 0.888 25834 1245 1 2 . 1 1 56 56 SER CB C 56 62.427 62.427 63.129 -0.702 25834 1246 1 2 . 1 1 56 56 SER H H 56 7.899 7.899 7.674 0.225 25834 1247 1 2 . 1 1 57 57 TYR N N 57 117.315 117.315 117.996 -0.681 25834 1248 1 2 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.198 0.139 25834 1249 1 2 . 1 1 57 57 TYR C C 57 175.570 175.570 175.084 0.486 25834 1250 1 2 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.945 -0.272 25834 1251 1 2 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.351 -0.087 25834 1252 1 2 . 1 1 57 57 TYR H H 57 7.662 7.662 7.398 0.264 25834 1253 1 2 . 1 1 58 58 PHE N N 58 118.544 118.544 116.750 1.794 25834 1254 1 2 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.653 -0.247 25834 1255 1 2 . 1 1 58 58 PHE C C 58 171.715 171.715 174.093 -2.378 25834 1256 1 2 . 1 1 58 58 PHE CA C 58 57.489 57.489 57.007 0.482 25834 1257 1 2 . 1 1 58 58 PHE CB C 58 41.401 41.401 41.380 0.021 25834 1258 1 2 . 1 1 58 58 PHE H H 58 7.727 7.727 8.217 -0.490 25834 1259 1 2 . 1 1 59 59 GLN N N 59 127.699 127.699 120.769 6.930 25834 1260 1 2 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.629 -0.912 25834 1261 1 2 . 1 1 59 59 GLN C C 59 172.421 172.421 175.804 -3.383 25834 1262 1 2 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.386 -0.173 25834 1263 1 2 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.017 -3.072 25834 1264 1 2 . 1 1 59 59 GLN H H 59 7.909 7.909 8.361 -0.452 25834 1265 1 2 . 1 1 60 60 CYS N N 60 125.668 125.668 124.934 0.734 25834 1266 1 2 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.441 -1.163 25834 1267 1 2 . 1 1 60 60 CYS C C 60 171.317 171.317 174.010 -2.693 25834 1268 1 2 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.476 0.947 25834 1269 1 2 . 1 1 60 60 CYS CB C 60 26.588 26.588 26.928 -0.340 25834 1270 1 2 . 1 1 60 60 CYS H H 60 6.802 6.802 8.942 -2.140 25834 1271 1 2 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.243 -0.141 25834 1272 1 2 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.831 -0.361 25834 1273 1 2 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.934 -0.314 25834 1274 1 2 . 1 1 63 63 TRP N N 63 110.609 110.609 114.857 -4.248 25834 1275 1 2 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.558 -0.126 25834 1276 1 2 . 1 1 63 63 TRP C C 63 176.764 176.764 174.586 2.178 25834 1277 1 2 . 1 1 63 63 TRP CA C 63 54.009 54.009 56.009 -2.000 25834 1278 1 2 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.357 0.001 25834 1279 1 2 . 1 1 63 63 TRP H H 63 6.172 6.172 7.495 -1.323 25834 1280 1 2 . 1 1 64 64 ALA N N 64 124.983 124.983 120.004 4.979 25834 1281 1 2 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.887 0.529 25834 1282 1 2 . 1 1 64 64 ALA C C 64 176.025 176.025 176.164 -0.139 25834 1283 1 2 . 1 1 64 64 ALA CA C 64 51.637 51.637 50.206 1.431 25834 1284 1 2 . 1 1 64 64 ALA CB C 64 21.355 21.355 20.924 0.431 25834 1285 1 2 . 1 1 64 64 ALA H H 64 7.038 7.038 6.626 0.412 25834 1286 1 2 . 1 1 65 65 ALA N N 65 120.111 120.111 119.640 0.471 25834 1287 1 2 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.048 0.557 25834 1288 1 2 . 1 1 65 65 ALA C C 65 175.012 175.012 176.541 -1.529 25834 1289 1 2 . 1 1 65 65 ALA CA C 65 50.868 50.868 53.292 -2.424 25834 1290 1 2 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.553 6.169 25834 1291 1 2 . 1 1 65 65 ALA H H 65 8.344 8.344 8.176 0.168 25834 1292 1 2 . 1 1 66 66 LEU N N 66 118.667 118.667 114.031 4.636 25834 1293 1 2 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.662 -0.679 25834 1294 1 2 . 1 1 66 66 LEU CA C 66 53.187 53.187 51.965 1.222 25834 1295 1 2 . 1 1 66 66 LEU CB C 66 42.535 42.535 42.394 0.141 25834 1296 1 2 . 1 1 66 66 LEU H H 66 8.272 8.272 7.749 0.523 25834 1297 1 2 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.222 -1.071 25834 1298 1 2 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.570 0.550 25834 1299 1 2 . 1 1 67 67 PRO CB C 67 31.810 31.810 32.066 -0.256 25834 1300 1 2 . 1 1 68 68 SER N N 68 118.916 118.916 115.097 3.819 25834 1301 1 2 . 1 1 68 68 SER HA H 68 4.197 4.197 4.552 -0.355 25834 1302 1 2 . 1 1 68 68 SER C C 68 173.454 173.454 173.022 0.432 25834 1303 1 2 . 1 1 68 68 SER CA C 68 57.667 57.667 58.381 -0.714 25834 1304 1 2 . 1 1 68 68 SER CB C 68 63.129 63.129 64.483 -1.354 25834 1305 1 2 . 1 1 68 68 SER H H 68 6.468 6.468 8.428 -1.960 25834 1306 1 2 . 1 1 69 69 VAL N N 69 119.159 119.159 119.680 -0.521 25834 1307 1 2 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.263 -0.057 25834 1308 1 2 . 1 1 69 69 VAL C C 69 174.162 174.162 174.343 -0.181 25834 1309 1 2 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.861 -0.326 25834 1310 1 2 . 1 1 69 69 VAL CB C 69 34.809 34.809 34.202 0.607 25834 1311 1 2 . 1 1 69 69 VAL H H 69 6.702 6.702 7.493 -0.791 25834 1312 1 2 . 1 1 70 70 ALA N N 70 128.571 128.571 129.313 -0.742 25834 1313 1 2 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.658 -0.434 25834 1314 1 2 . 1 1 70 70 ALA C C 70 176.888 176.888 176.894 -0.006 25834 1315 1 2 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.553 1.337 25834 1316 1 2 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.349 0.369 25834 1317 1 2 . 1 1 70 70 ALA H H 70 8.486 8.486 8.611 -0.125 25834 1318 1 2 . 1 1 71 71 CYS N N 71 120.365 120.365 121.771 -1.406 25834 1319 1 2 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.194 0.252 25834 1320 1 2 . 1 1 71 71 CYS C C 71 173.126 173.126 173.242 -0.116 25834 1321 1 2 . 1 1 71 71 CYS CA C 71 58.111 58.111 56.940 1.171 25834 1322 1 2 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.251 0.482 25834 1323 1 2 . 1 1 71 71 CYS H H 71 8.222 8.222 8.686 -0.464 25834 1324 1 2 . 1 1 72 72 HIS N N 72 114.002 114.002 114.569 -0.567 25834 1325 1 2 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.013 -0.160 25834 1326 1 2 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.758 0.176 25834 1327 1 2 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.129 -0.671 25834 1328 1 2 . 1 1 72 72 HIS H H 72 9.033 9.033 8.578 0.455 25834 1329 1 2 . 1 1 73 73 LEU N N 73 117.312 117.312 120.725 -3.413 25834 1330 1 2 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.609 0.414 25834 1331 1 2 . 1 1 73 73 LEU C C 73 176.776 176.776 174.992 1.784 25834 1332 1 2 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.262 -0.628 25834 1333 1 2 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.357 -2.995 25834 1334 1 2 . 1 1 73 73 LEU H H 73 9.300 9.300 8.130 1.170 25834 1335 1 2 . 1 1 74 74 GLN N N 74 125.734 125.734 124.375 1.359 25834 1336 1 2 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.628 -0.043 25834 1337 1 2 . 1 1 74 74 GLN C C 74 175.495 175.495 173.704 1.791 25834 1338 1 2 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.729 0.236 25834 1339 1 2 . 1 1 74 74 GLN CB C 74 30.517 30.517 32.043 -1.526 25834 1340 1 2 . 1 1 74 74 GLN H H 74 9.117 9.117 8.536 0.581 25834 1341 1 2 . 1 1 75 75 CYS N N 75 129.141 129.141 125.187 3.954 25834 1342 1 2 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.530 -0.483 25834 1343 1 2 . 1 1 75 75 CYS C C 75 173.524 173.524 174.262 -0.738 25834 1344 1 2 . 1 1 75 75 CYS CA C 75 57.494 57.494 56.243 1.251 25834 1345 1 2 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.520 -2.227 25834 1346 1 2 . 1 1 75 75 CYS H H 75 9.362 9.362 8.934 0.428 25834 1347 1 2 . 1 1 76 76 THR N N 76 120.173 120.173 116.278 3.895 25834 1348 1 2 . 1 1 76 76 THR HA H 76 5.014 5.014 4.821 0.193 25834 1349 1 2 . 1 1 76 76 THR C C 76 172.958 172.958 173.590 -0.632 25834 1350 1 2 . 1 1 76 76 THR CA C 76 59.790 59.790 60.197 -0.407 25834 1351 1 2 . 1 1 76 76 THR CB C 76 72.870 72.870 70.094 2.776 25834 1352 1 2 . 1 1 76 76 THR H H 76 8.477 8.477 8.034 0.443 25834 1353 1 2 . 1 1 77 77 ARG N N 77 121.783 121.783 121.444 0.339 25834 1354 1 2 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.570 -0.158 25834 1355 1 2 . 1 1 77 77 ARG C C 77 175.808 175.808 175.120 0.688 25834 1356 1 2 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.686 0.035 25834 1357 1 2 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.126 1.038 25834 1358 1 2 . 1 1 77 77 ARG H H 77 8.769 8.769 7.836 0.933 25834 1359 1 2 . 1 1 78 78 ASP N N 78 130.879 130.879 124.784 6.095 25834 1360 1 2 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.317 -0.127 25834 1361 1 2 . 1 1 78 78 ASP C C 78 175.472 175.472 176.487 -1.015 25834 1362 1 2 . 1 1 78 78 ASP CA C 78 55.709 55.709 54.842 0.867 25834 1363 1 2 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.216 0.445 25834 1364 1 2 . 1 1 78 78 ASP H H 78 9.499 9.499 9.041 0.458 25834 1365 1 2 . 1 1 79 79 GLY N N 79 102.423 102.423 102.622 -0.199 25834 1366 1 2 . 1 1 79 79 GLY C C 79 173.613 173.613 173.704 -0.091 25834 1367 1 2 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.178 -0.215 25834 1368 1 2 . 1 1 79 79 GLY H H 79 8.361 8.361 8.319 0.042 25834 1369 1 2 . 1 1 80 80 LEU N N 80 123.754 123.754 121.685 2.069 25834 1370 1 2 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.658 0.329 25834 1371 1 2 . 1 1 80 80 LEU C C 80 174.659 174.659 174.859 -0.200 25834 1372 1 2 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.176 1.014 25834 1373 1 2 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.138 -1.085 25834 1374 1 2 . 1 1 80 80 LEU H H 80 7.775 7.775 7.578 0.197 25834 1375 1 2 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.382 0.185 25834 1376 1 2 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.518 0.342 25834 1377 1 2 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.846 1.614 25834 1378 1 2 . 1 1 82 82 LEU N N 82 126.089 126.089 125.250 0.839 25834 1379 1 2 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.460 0.529 25834 1380 1 2 . 1 1 82 82 LEU C C 82 174.148 174.148 176.206 -2.058 25834 1381 1 2 . 1 1 82 82 LEU CA C 82 52.635 52.635 52.940 -0.305 25834 1382 1 2 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.775 1.226 25834 1383 1 2 . 1 1 82 82 LEU H H 82 8.131 8.131 7.718 0.413 25834 1384 1 2 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.431 -0.241 25834 1385 1 2 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.830 1.010 25834 1386 1 2 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.397 0.683 25834 1387 1 2 . 1 1 84 84 ALA N N 84 123.359 123.359 128.544 -5.185 25834 1388 1 2 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.478 -0.287 25834 1389 1 2 . 1 1 84 84 ALA C C 84 178.112 178.112 176.337 1.775 25834 1390 1 2 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.291 -0.536 25834 1391 1 2 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.470 0.672 25834 1392 1 2 . 1 1 84 84 ALA H H 84 8.063 8.063 8.483 -0.420 25834 1393 1 2 . 1 1 85 85 LEU N N 85 118.757 118.757 122.021 -3.264 25834 1394 1 2 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.585 0.048 25834 1395 1 2 . 1 1 85 85 LEU C C 85 177.225 177.225 177.158 0.067 25834 1396 1 2 . 1 1 85 85 LEU CA C 85 53.358 53.358 53.800 -0.442 25834 1397 1 2 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.789 -3.620 25834 1398 1 2 . 1 1 85 85 LEU H H 85 8.393 8.393 8.248 0.145 25834 1399 1 2 . 1 1 86 86 GLY N N 86 112.143 112.143 110.812 1.331 25834 1400 1 2 . 1 1 86 86 GLY C C 86 173.704 173.704 174.664 -0.960 25834 1401 1 2 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.444 1.436 25834 1402 1 2 . 1 1 86 86 GLY H H 86 9.046 9.046 8.925 0.121 25834 1403 1 2 . 1 1 87 87 LEU N N 87 123.289 123.289 126.865 -3.576 25834 1404 1 2 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.263 0.268 25834 1405 1 2 . 1 1 87 87 LEU C C 87 177.568 177.568 177.342 0.226 25834 1406 1 2 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.622 -0.663 25834 1407 1 2 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.704 3.207 25834 1408 1 2 . 1 1 87 87 LEU H H 87 7.934 7.934 8.268 -0.334 25834 1409 1 2 . 1 1 88 88 HIS N N 88 116.221 116.221 117.871 -1.650 25834 1410 1 2 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.326 -0.455 25834 1411 1 2 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.934 2.634 25834 1412 1 2 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.094 1.682 25834 1413 1 2 . 1 1 88 88 HIS H H 88 9.253 9.253 7.989 1.264 25834 1414 1 2 . 1 1 89 89 ARG N N 89 118.280 118.280 118.449 -0.169 25834 1415 1 2 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.344 -0.304 25834 1416 1 2 . 1 1 89 89 ARG C C 89 175.205 175.205 176.222 -1.017 25834 1417 1 2 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.900 -0.369 25834 1418 1 2 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.470 1.333 25834 1419 1 2 . 1 1 89 89 ARG H H 89 7.300 7.300 8.538 -1.238 25834 1420 1 2 . 1 1 90 90 PHE N N 90 113.880 113.880 116.869 -2.989 25834 1421 1 2 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.807 0.596 25834 1422 1 2 . 1 1 90 90 PHE C C 90 172.663 172.663 173.753 -1.090 25834 1423 1 2 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.617 -2.262 25834 1424 1 2 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.630 -0.520 25834 1425 1 2 . 1 1 90 90 PHE H H 90 7.252 7.252 7.850 -0.598 25834 1426 1 2 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.379 0.470 25834 1427 1 2 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.275 -0.935 25834 1428 1 2 . 1 1 91 91 PRO CB C 91 32.970 32.970 32.099 0.871 25834 1429 1 2 . 1 1 92 92 PHE N N 92 104.480 104.480 113.157 -8.677 25834 1430 1 2 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.433 0.540 25834 1431 1 2 . 1 1 92 92 PHE C C 92 172.347 172.347 173.466 -1.119 25834 1432 1 2 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.473 -0.113 25834 1433 1 2 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.996 -0.249 25834 1434 1 2 . 1 1 92 92 PHE H H 92 6.117 6.117 6.950 -0.833 25834 1435 1 2 . 1 1 93 93 TYR N N 93 120.959 120.959 118.867 2.092 25834 1436 1 2 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.652 -0.283 25834 1437 1 2 . 1 1 93 93 TYR C C 93 173.417 173.417 173.798 -0.381 25834 1438 1 2 . 1 1 93 93 TYR CA C 93 57.388 57.388 56.459 0.929 25834 1439 1 2 . 1 1 93 93 TYR CB C 93 43.450 43.450 40.761 2.689 25834 1440 1 2 . 1 1 93 93 TYR H H 93 9.370 9.370 8.602 0.768 25834 1441 1 2 . 1 1 94 94 LEU N N 94 123.359 123.359 123.398 -0.039 25834 1442 1 2 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.226 0.857 25834 1443 1 2 . 1 1 94 94 LEU C C 94 176.045 176.045 174.933 1.112 25834 1444 1 2 . 1 1 94 94 LEU CA C 94 54.107 54.107 54.030 0.077 25834 1445 1 2 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.274 0.899 25834 1446 1 2 . 1 1 94 94 LEU H H 94 10.272 10.272 8.238 2.034 25834 1447 1 2 . 1 1 95 95 PHE N N 95 119.493 119.493 121.104 -1.611 25834 1448 1 2 . 1 1 95 95 PHE HA H 95 5.237 5.237 5.033 0.204 25834 1449 1 2 . 1 1 95 95 PHE C C 95 175.870 175.870 175.229 0.641 25834 1450 1 2 . 1 1 95 95 PHE CA C 95 55.769 55.769 55.071 0.698 25834 1451 1 2 . 1 1 95 95 PHE CB C 95 42.330 42.330 39.492 2.838 25834 1452 1 2 . 1 1 95 95 PHE H H 95 8.761 8.761 8.280 0.481 25834 1453 1 2 . 1 1 96 96 GLY N N 96 109.374 109.374 111.016 -1.642 25834 1454 1 2 . 1 1 96 96 GLY C C 96 170.712 170.712 172.698 -1.986 25834 1455 1 2 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.261 0.125 25834 1456 1 2 . 1 1 96 96 GLY H H 96 7.966 7.966 8.357 -0.391 25834 1457 1 2 . 1 1 97 97 ARG N N 97 119.683 119.683 119.969 -0.286 25834 1458 1 2 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.697 -0.048 25834 1459 1 2 . 1 1 97 97 ARG C C 97 177.225 177.225 176.192 1.033 25834 1460 1 2 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.553 1.946 25834 1461 1 2 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.644 0.230 25834 1462 1 2 . 1 1 97 97 ARG H H 97 8.147 8.147 8.132 0.015 25834 1463 1 2 . 1 1 98 98 SER N N 98 113.711 113.711 116.200 -2.489 25834 1464 1 2 . 1 1 98 98 SER HA H 98 4.337 4.337 4.367 -0.030 25834 1465 1 2 . 1 1 98 98 SER C C 98 176.172 176.172 174.986 1.186 25834 1466 1 2 . 1 1 98 98 SER CA C 98 57.909 57.909 58.819 -0.910 25834 1467 1 2 . 1 1 98 98 SER CB C 98 63.085 63.085 64.781 -1.696 25834 1468 1 2 . 1 1 98 98 SER H H 98 9.133 9.133 7.650 1.483 25834 1469 1 2 . 1 1 99 99 LYS N N 99 124.590 124.590 122.691 1.899 25834 1470 1 2 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.187 -0.243 25834 1471 1 2 . 1 1 99 99 LYS C C 99 176.548 176.548 176.940 -0.392 25834 1472 1 2 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.273 0.920 25834 1473 1 2 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.692 -0.031 25834 1474 1 2 . 1 1 99 99 LYS H H 99 8.451 8.451 8.783 -0.332 25834 1475 1 2 . 1 1 100 100 VAL N N 100 114.126 114.126 112.865 1.261 25834 1476 1 2 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.083 -0.185 25834 1477 1 2 . 1 1 100 100 VAL C C 100 176.832 176.832 176.382 0.450 25834 1478 1 2 . 1 1 100 100 VAL CA C 100 62.964 62.964 62.324 0.640 25834 1479 1 2 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.617 0.076 25834 1480 1 2 . 1 1 100 100 VAL H H 100 7.512 7.512 7.335 0.177 25834 1481 1 2 . 1 1 101 101 CYS N N 101 119.359 119.359 118.424 0.935 25834 1482 1 2 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.323 -0.836 25834 1483 1 2 . 1 1 101 101 CYS C C 101 172.156 172.156 175.373 -3.217 25834 1484 1 2 . 1 1 101 101 CYS CA C 101 61.155 61.155 59.388 1.767 25834 1485 1 2 . 1 1 101 101 CYS CB C 101 26.848 26.848 28.906 -2.058 25834 1486 1 2 . 1 1 101 101 CYS H H 101 7.641 7.641 7.292 0.349 25834 1487 1 2 . 1 1 102 102 ASP N N 102 118.734 118.734 120.229 -1.495 25834 1488 1 2 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.502 -0.573 25834 1489 1 2 . 1 1 102 102 ASP C C 102 175.410 175.410 175.492 -0.082 25834 1490 1 2 . 1 1 102 102 ASP CA C 102 57.029 57.029 55.408 1.621 25834 1491 1 2 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.644 1.284 25834 1492 1 2 . 1 1 102 102 ASP H H 102 7.367 7.367 8.221 -0.854 25834 1493 1 2 . 1 1 103 103 TYR N N 103 114.004 114.004 119.562 -5.558 25834 1494 1 2 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.677 0.555 25834 1495 1 2 . 1 1 103 103 TYR C C 103 172.997 172.997 173.621 -0.624 25834 1496 1 2 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.794 -0.440 25834 1497 1 2 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.654 -2.374 25834 1498 1 2 . 1 1 103 103 TYR H H 103 7.111 7.111 7.632 -0.521 25834 1499 1 2 . 1 1 104 104 VAL N N 104 124.660 124.660 127.185 -2.525 25834 1500 1 2 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.864 -0.339 25834 1501 1 2 . 1 1 104 104 VAL C C 104 176.491 176.491 175.207 1.284 25834 1502 1 2 . 1 1 104 104 VAL CA C 104 61.221 61.221 60.649 0.572 25834 1503 1 2 . 1 1 104 104 VAL CB C 104 31.806 31.806 32.102 -0.296 25834 1504 1 2 . 1 1 104 104 VAL H H 104 8.210 8.210 8.304 -0.094 25834 1505 1 2 . 1 1 105 105 LEU N N 105 130.546 130.546 130.252 0.294 25834 1506 1 2 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.979 -0.412 25834 1507 1 2 . 1 1 105 105 LEU C C 105 175.794 175.794 176.223 -0.429 25834 1508 1 2 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.882 -1.024 25834 1509 1 2 . 1 1 105 105 LEU CB C 105 43.199 43.199 43.726 -0.527 25834 1510 1 2 . 1 1 105 105 LEU H H 105 8.217 8.217 8.220 -0.003 25834 1511 1 2 . 1 1 106 106 GLU N N 106 117.285 117.285 119.873 -2.588 25834 1512 1 2 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.632 -0.383 25834 1513 1 2 . 1 1 106 106 GLU C C 106 176.698 176.698 175.237 1.461 25834 1514 1 2 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.097 0.556 25834 1515 1 2 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.392 0.758 25834 1516 1 2 . 1 1 106 106 GLU H H 106 8.219 8.219 8.404 -0.185 25834 1517 1 2 . 1 1 107 107 HIS N N 107 123.685 123.685 122.862 0.823 25834 1518 1 2 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.844 -0.993 25834 1519 1 2 . 1 1 107 107 HIS CA C 107 58.239 58.239 55.444 2.795 25834 1520 1 2 . 1 1 107 107 HIS CB C 107 31.919 31.919 32.835 -0.916 25834 1521 1 2 . 1 1 107 107 HIS H H 107 7.703 7.703 8.564 -0.861 25834 1522 1 2 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.517 -0.377 25834 1523 1 2 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.205 0.445 25834 1524 1 2 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.315 -0.295 25834 1525 1 2 . 1 1 109 109 SER N N 109 114.134 114.134 113.175 0.959 25834 1526 1 2 . 1 1 109 109 SER HA H 109 4.326 4.326 4.605 -0.279 25834 1527 1 2 . 1 1 109 109 SER C C 109 174.553 174.553 174.969 -0.416 25834 1528 1 2 . 1 1 109 109 SER CA C 109 59.214 59.214 58.871 0.343 25834 1529 1 2 . 1 1 109 109 SER CB C 109 64.953 64.953 64.075 0.878 25834 1530 1 2 . 1 1 109 109 SER H H 109 9.035 9.035 7.942 1.093 25834 1531 1 2 . 1 1 110 110 ILE N N 110 128.498 128.498 124.415 4.083 25834 1532 1 2 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.093 0.126 25834 1533 1 2 . 1 1 110 110 ILE C C 110 175.968 175.968 175.456 0.512 25834 1534 1 2 . 1 1 110 110 ILE CA C 110 59.903 59.903 61.926 -2.023 25834 1535 1 2 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.392 -0.653 25834 1536 1 2 . 1 1 110 110 ILE H H 110 8.103 8.103 7.994 0.109 25834 1537 1 2 . 1 1 111 111 SER N N 111 127.509 127.509 124.182 3.327 25834 1538 1 2 . 1 1 111 111 SER HA H 111 4.207 4.207 4.847 -0.640 25834 1539 1 2 . 1 1 111 111 SER C C 111 174.300 174.300 175.772 -1.472 25834 1540 1 2 . 1 1 111 111 SER CA C 111 60.844 60.844 57.285 3.559 25834 1541 1 2 . 1 1 111 111 SER CB C 111 64.891 64.891 65.017 -0.126 25834 1542 1 2 . 1 1 111 111 SER H H 111 11.497 11.497 8.372 3.125 25834 1543 1 2 . 1 1 112 112 SER N N 112 120.261 120.261 116.369 3.892 25834 1544 1 2 . 1 1 112 112 SER HA H 112 4.208 4.208 4.386 -0.178 25834 1545 1 2 . 1 1 112 112 SER C C 112 174.250 174.250 173.876 0.374 25834 1546 1 2 . 1 1 112 112 SER CA C 112 63.258 63.258 61.769 1.489 25834 1547 1 2 . 1 1 112 112 SER CB C 112 62.194 62.194 63.059 -0.865 25834 1548 1 2 . 1 1 112 112 SER H H 112 9.135 9.135 8.750 0.385 25834 1549 1 2 . 1 1 113 113 VAL N N 113 118.006 118.006 112.982 5.024 25834 1550 1 2 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.545 -0.892 25834 1551 1 2 . 1 1 113 113 VAL C C 113 173.570 173.570 174.738 -1.168 25834 1552 1 2 . 1 1 113 113 VAL CA C 113 64.376 64.376 60.177 4.199 25834 1553 1 2 . 1 1 113 113 VAL CB C 113 32.216 32.216 30.335 1.881 25834 1554 1 2 . 1 1 113 113 VAL H H 113 7.781 7.781 7.629 0.152 25834 1555 1 2 . 1 1 114 114 HIS N N 114 128.080 128.080 124.927 3.153 25834 1556 1 2 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.391 -0.197 25834 1557 1 2 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.205 -0.783 25834 1558 1 2 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.332 4.723 25834 1559 1 2 . 1 1 114 114 HIS H H 114 8.875 8.875 8.547 0.328 25834 1560 1 2 . 1 1 115 115 ALA N N 115 114.264 114.264 115.471 -1.207 25834 1561 1 2 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.982 0.249 25834 1562 1 2 . 1 1 115 115 ALA C C 115 173.729 173.729 174.241 -0.512 25834 1563 1 2 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.602 -0.644 25834 1564 1 2 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.395 2.209 25834 1565 1 2 . 1 1 115 115 ALA H H 115 8.250 8.250 7.545 0.705 25834 1566 1 2 . 1 1 116 116 VAL N N 116 116.683 116.683 119.530 -2.847 25834 1567 1 2 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.745 1.113 25834 1568 1 2 . 1 1 116 116 VAL C C 116 173.135 173.135 173.624 -0.489 25834 1569 1 2 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.234 -1.426 25834 1570 1 2 . 1 1 116 116 VAL CB C 116 36.180 36.180 34.610 1.570 25834 1571 1 2 . 1 1 116 116 VAL H H 116 8.808 8.808 7.688 1.120 25834 1572 1 2 . 1 1 117 117 LEU N N 117 124.933 124.933 125.777 -0.844 25834 1573 1 2 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.265 0.489 25834 1574 1 2 . 1 1 117 117 LEU C C 117 174.233 174.233 175.445 -1.212 25834 1575 1 2 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.944 0.968 25834 1576 1 2 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.480 1.649 25834 1577 1 2 . 1 1 117 117 LEU H H 117 8.799 8.799 7.837 0.962 25834 1578 1 2 . 1 1 118 118 VAL N N 118 123.453 123.453 119.299 4.154 25834 1579 1 2 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.911 0.526 25834 1580 1 2 . 1 1 118 118 VAL C C 118 174.261 174.261 175.658 -1.397 25834 1581 1 2 . 1 1 118 118 VAL CA C 118 59.238 59.238 61.195 -1.957 25834 1582 1 2 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.388 -0.319 25834 1583 1 2 . 1 1 118 118 VAL H H 118 10.009 10.009 8.264 1.745 25834 1584 1 2 . 1 1 119 119 PHE N N 119 132.016 132.016 128.994 3.022 25834 1585 1 2 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.664 0.182 25834 1586 1 2 . 1 1 119 119 PHE C C 119 172.828 172.828 174.417 -1.589 25834 1587 1 2 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.634 3.655 25834 1588 1 2 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.484 0.156 25834 1589 1 2 . 1 1 119 119 PHE H H 119 9.544 9.544 8.487 1.057 25834 1590 1 2 . 1 1 120 120 HIS N N 120 130.718 130.718 127.591 3.127 25834 1591 1 2 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.903 -1.059 25834 1592 1 2 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.458 -1.630 25834 1593 1 2 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.447 1.829 25834 1594 1 2 . 1 1 120 120 HIS H H 120 8.365 8.365 8.142 0.223 25834 1595 1 2 . 1 1 121 121 GLY N N 121 111.906 111.906 114.490 -2.584 25834 1596 1 2 . 1 1 121 121 GLY C C 121 174.992 174.992 174.327 0.665 25834 1597 1 2 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.570 2.400 25834 1598 1 2 . 1 1 121 121 GLY H H 121 8.150 8.150 8.557 -0.407 25834 1599 1 2 . 1 1 122 122 GLY N N 122 111.156 111.156 108.034 3.122 25834 1600 1 2 . 1 1 122 122 GLY C C 122 175.834 175.834 175.355 0.479 25834 1601 1 2 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.766 0.630 25834 1602 1 2 . 1 1 122 122 GLY H H 122 9.055 9.055 7.746 1.309 25834 1603 1 2 . 1 1 123 123 GLN N N 123 121.769 121.769 116.525 5.244 25834 1604 1 2 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.549 -0.615 25834 1605 1 2 . 1 1 123 123 GLN C C 123 175.649 175.649 176.074 -0.425 25834 1606 1 2 . 1 1 123 123 GLN CA C 123 56.432 56.432 54.533 1.899 25834 1607 1 2 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.328 0.096 25834 1608 1 2 . 1 1 123 123 GLN H H 123 9.270 9.270 8.027 1.242 25834 1609 1 2 . 1 1 124 124 ARG N N 124 115.831 115.831 117.106 -1.275 25834 1610 1 2 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.129 -0.663 25834 1611 1 2 . 1 1 124 124 ARG C C 124 173.830 173.830 174.934 -1.104 25834 1612 1 2 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.474 -0.283 25834 1613 1 2 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.424 -0.797 25834 1614 1 2 . 1 1 124 124 ARG H H 124 8.141 8.141 8.089 0.052 25834 1615 1 2 . 1 1 125 125 CYS N N 125 111.895 111.895 116.384 -4.489 25834 1616 1 2 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.659 -0.169 25834 1617 1 2 . 1 1 125 125 CYS C C 125 172.037 172.037 173.831 -1.794 25834 1618 1 2 . 1 1 125 125 CYS CA C 125 55.647 55.647 57.716 -2.069 25834 1619 1 2 . 1 1 125 125 CYS CB C 125 30.488 30.488 31.513 -1.025 25834 1620 1 2 . 1 1 125 125 CYS H H 125 6.808 6.808 7.806 -0.998 25834 1621 1 2 . 1 1 126 126 PHE N N 126 119.776 119.776 124.124 -4.348 25834 1622 1 2 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.641 0.164 25834 1623 1 2 . 1 1 126 126 PHE C C 126 175.431 175.431 175.566 -0.135 25834 1624 1 2 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.799 0.926 25834 1625 1 2 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.451 1.061 25834 1626 1 2 . 1 1 126 126 PHE H H 126 9.599 9.599 9.162 0.437 25834 1627 1 2 . 1 1 127 127 VAL N N 127 119.700 119.700 125.826 -6.126 25834 1628 1 2 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.488 0.137 25834 1629 1 2 . 1 1 127 127 VAL C C 127 173.499 173.499 174.611 -1.112 25834 1630 1 2 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.012 -0.511 25834 1631 1 2 . 1 1 127 127 VAL CB C 127 34.354 34.354 31.889 2.465 25834 1632 1 2 . 1 1 127 127 VAL H H 127 9.594 9.594 8.839 0.755 25834 1633 1 2 . 1 1 128 128 LEU N N 128 129.107 129.107 130.174 -1.067 25834 1634 1 2 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.294 0.123 25834 1635 1 2 . 1 1 128 128 LEU C C 128 175.310 175.310 175.453 -0.143 25834 1636 1 2 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.214 -0.224 25834 1637 1 2 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.764 1.771 25834 1638 1 2 . 1 1 128 128 LEU H H 128 9.545 9.545 8.010 1.535 25834 1639 1 2 . 1 1 129 129 MET N N 129 119.581 119.581 124.020 -4.439 25834 1640 1 2 . 1 1 129 129 MET HA H 129 4.792 4.792 5.105 -0.313 25834 1641 1 2 . 1 1 129 129 MET C C 129 174.562 174.562 174.764 -0.202 25834 1642 1 2 . 1 1 129 129 MET CA C 129 54.980 54.980 54.314 0.666 25834 1643 1 2 . 1 1 129 129 MET CB C 129 38.129 38.129 36.792 1.337 25834 1644 1 2 . 1 1 129 129 MET H H 129 8.724 8.724 8.128 0.596 25834 1645 1 2 . 1 1 130 130 ASP N N 130 124.566 124.566 123.837 0.729 25834 1646 1 2 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.044 -0.372 25834 1647 1 2 . 1 1 130 130 ASP C C 130 178.291 178.291 177.469 0.822 25834 1648 1 2 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.414 0.352 25834 1649 1 2 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.509 0.554 25834 1650 1 2 . 1 1 130 130 ASP H H 130 9.500 9.500 8.929 0.571 25834 1651 1 2 . 1 1 131 131 LEU N N 131 129.917 129.917 122.580 7.337 25834 1652 1 2 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.320 0.107 25834 1653 1 2 . 1 1 131 131 LEU C C 131 176.172 176.172 177.590 -1.418 25834 1654 1 2 . 1 1 131 131 LEU CA C 131 54.227 54.227 55.187 -0.959 25834 1655 1 2 . 1 1 131 131 LEU CB C 131 39.713 39.713 41.647 -1.934 25834 1656 1 2 . 1 1 131 131 LEU H H 131 8.182 8.182 8.223 -0.041 25834 1657 1 2 . 1 1 132 132 GLY N N 132 107.323 107.323 104.403 2.920 25834 1658 1 2 . 1 1 132 132 GLY C C 132 174.507 174.507 174.544 -0.037 25834 1659 1 2 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.460 1.811 25834 1660 1 2 . 1 1 132 132 GLY H H 132 8.233 8.233 7.968 0.266 25834 1661 1 2 . 1 1 133 133 SER N N 133 119.398 119.398 116.133 3.265 25834 1662 1 2 . 1 1 133 133 SER HA H 133 4.091 4.091 4.245 -0.154 25834 1663 1 2 . 1 1 133 133 SER C C 133 175.194 175.194 175.478 -0.284 25834 1664 1 2 . 1 1 133 133 SER CA C 133 59.003 59.003 58.605 0.397 25834 1665 1 2 . 1 1 133 133 SER CB C 133 62.766 62.766 63.497 -0.731 25834 1666 1 2 . 1 1 133 133 SER H H 133 9.111 9.111 8.085 1.026 25834 1667 1 2 . 1 1 134 134 THR N N 134 117.002 117.002 119.159 -2.157 25834 1668 1 2 . 1 1 134 134 THR HA H 134 3.917 3.917 4.364 -0.447 25834 1669 1 2 . 1 1 134 134 THR C C 134 176.542 176.542 175.464 1.078 25834 1670 1 2 . 1 1 134 134 THR CA C 134 66.444 66.444 64.200 2.244 25834 1671 1 2 . 1 1 134 134 THR CB C 134 68.876 68.876 69.020 -0.144 25834 1672 1 2 . 1 1 134 134 THR H H 134 7.136 7.136 8.697 -1.561 25834 1673 1 2 . 1 1 135 135 ASN N N 135 114.018 114.018 119.358 -5.340 25834 1674 1 2 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.724 0.170 25834 1675 1 2 . 1 1 135 135 ASN C C 135 175.875 175.875 175.335 0.540 25834 1676 1 2 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.538 -0.859 25834 1677 1 2 . 1 1 135 135 ASN CB C 135 39.207 39.207 39.645 -0.438 25834 1678 1 2 . 1 1 135 135 ASN H H 135 9.243 9.243 8.041 1.202 25834 1679 1 2 . 1 1 136 136 GLY N N 136 106.575 106.575 107.622 -1.047 25834 1680 1 2 . 1 1 136 136 GLY C C 136 174.404 174.404 172.821 1.583 25834 1681 1 2 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.759 1.253 25834 1682 1 2 . 1 1 136 136 GLY H H 136 7.533 7.533 7.651 -0.118 25834 1683 1 2 . 1 1 137 137 VAL N N 137 123.037 123.037 121.763 1.274 25834 1684 1 2 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.359 0.195 25834 1685 1 2 . 1 1 137 137 VAL C C 137 173.367 173.367 175.408 -2.041 25834 1686 1 2 . 1 1 137 137 VAL CA C 137 61.221 61.221 61.615 -0.394 25834 1687 1 2 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.163 3.028 25834 1688 1 2 . 1 1 137 137 VAL H H 137 9.270 9.270 8.391 0.879 25834 1689 1 2 . 1 1 138 138 LYS N N 138 123.932 123.932 123.512 0.420 25834 1690 1 2 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.532 0.376 25834 1691 1 2 . 1 1 138 138 LYS C C 138 174.454 174.454 174.809 -0.355 25834 1692 1 2 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.296 -0.776 25834 1693 1 2 . 1 1 138 138 LYS CB C 138 35.859 35.859 34.912 0.947 25834 1694 1 2 . 1 1 138 138 LYS H H 138 8.779 8.779 8.020 0.759 25834 1695 1 2 . 1 1 139 139 LEU N N 139 124.937 124.937 122.289 2.648 25834 1696 1 2 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.639 0.396 25834 1697 1 2 . 1 1 139 139 LEU C C 139 176.335 176.335 176.283 0.052 25834 1698 1 2 . 1 1 139 139 LEU CA C 139 52.721 52.721 53.933 -1.212 25834 1699 1 2 . 1 1 139 139 LEU CB C 139 45.127 45.127 45.032 0.095 25834 1700 1 2 . 1 1 139 139 LEU H H 139 8.528 8.528 8.700 -0.172 25834 1701 1 2 . 1 1 140 140 ASN N N 140 128.375 128.375 124.185 4.190 25834 1702 1 2 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.557 -0.161 25834 1703 1 2 . 1 1 140 140 ASN C C 140 175.256 175.256 174.882 0.374 25834 1704 1 2 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.514 -0.102 25834 1705 1 2 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.895 -1.016 25834 1706 1 2 . 1 1 140 140 ASN H H 140 10.056 10.056 9.259 0.797 25834 1707 1 2 . 1 1 141 141 GLY N N 141 101.602 101.602 103.827 -2.225 25834 1708 1 2 . 1 1 141 141 GLY C C 141 173.265 173.265 173.482 -0.217 25834 1709 1 2 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.127 -0.155 25834 1710 1 2 . 1 1 141 141 GLY H H 141 8.811 8.811 8.660 0.151 25834 1711 1 2 . 1 1 142 142 ASN N N 142 118.060 118.060 118.408 -0.348 25834 1712 1 2 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.945 0.063 25834 1713 1 2 . 1 1 142 142 ASN C C 142 174.106 174.106 173.980 0.126 25834 1714 1 2 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.247 -0.651 25834 1715 1 2 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.724 -0.686 25834 1716 1 2 . 1 1 142 142 ASN H H 142 7.512 7.512 8.102 -0.590 25834 1717 1 2 . 1 1 143 143 ARG N N 143 125.882 125.882 123.903 1.979 25834 1718 1 2 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.449 0.172 25834 1719 1 2 . 1 1 143 143 ARG C C 143 177.077 177.077 175.898 1.179 25834 1720 1 2 . 1 1 143 143 ARG CA C 143 56.940 56.940 56.844 0.096 25834 1721 1 2 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.286 -0.499 25834 1722 1 2 . 1 1 143 143 ARG H H 143 8.975 8.975 8.577 0.398 25834 1723 1 2 . 1 1 144 144 ILE N N 144 124.442 124.442 120.507 3.935 25834 1724 1 2 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.469 0.102 25834 1725 1 2 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.837 1.958 25834 1726 1 2 . 1 1 144 144 ILE CB C 144 39.273 39.273 39.418 -0.145 25834 1727 1 2 . 1 1 144 144 ILE H H 144 6.907 6.907 8.029 -1.122 25834 1728 1 2 . 1 1 145 145 GLU N N 145 122.815 122.815 120.360 2.455 25834 1729 1 2 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.228 -0.024 25834 1730 1 2 . 1 1 145 145 GLU C C 145 176.123 176.123 175.736 0.387 25834 1731 1 2 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.650 -1.315 25834 1732 1 2 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.310 0.282 25834 1733 1 2 . 1 1 145 145 GLU H H 145 8.628 8.628 8.523 0.105 25834 1734 1 2 . 1 1 146 146 LYS N N 146 122.367 122.367 115.632 6.735 25834 1735 1 2 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.736 -0.620 25834 1736 1 2 . 1 1 146 146 LYS C C 146 175.811 175.811 176.312 -0.501 25834 1737 1 2 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.647 3.308 25834 1738 1 2 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.521 -0.959 25834 1739 1 2 . 1 1 146 146 LYS H H 146 8.755 8.755 8.076 0.679 25834 1740 1 2 . 1 1 147 147 ARG N N 147 115.303 115.303 118.523 -3.220 25834 1741 1 2 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.109 -0.452 25834 1742 1 2 . 1 1 147 147 ARG C C 147 174.121 174.121 175.016 -0.895 25834 1743 1 2 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.434 1.038 25834 1744 1 2 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.112 -0.719 25834 1745 1 2 . 1 1 147 147 ARG H H 147 9.124 9.124 8.307 0.817 25834 1746 1 2 . 1 1 148 148 ARG N N 148 118.994 118.994 114.597 4.397 25834 1747 1 2 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.794 0.168 25834 1748 1 2 . 1 1 148 148 ARG C C 148 173.769 173.769 173.141 0.628 25834 1749 1 2 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.587 -0.101 25834 1750 1 2 . 1 1 148 148 ARG CB C 148 32.396 32.396 31.743 0.653 25834 1751 1 2 . 1 1 148 148 ARG H H 148 8.133 8.133 7.602 0.531 25834 1752 1 2 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.478 0.160 25834 1753 1 2 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.385 -0.745 25834 1754 1 2 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.670 0.130 25834 1755 1 2 . 1 1 150 150 LEU N N 150 129.239 129.239 125.997 3.242 25834 1756 1 2 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.790 0.186 25834 1757 1 2 . 1 1 150 150 LEU C C 150 173.433 173.433 175.117 -1.684 25834 1758 1 2 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.853 -0.498 25834 1759 1 2 . 1 1 150 150 LEU CB C 150 44.253 44.253 43.004 1.249 25834 1760 1 2 . 1 1 150 150 LEU H H 150 8.850 8.850 8.361 0.489 25834 1761 1 2 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.797 -0.466 25834 1762 1 2 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.669 1.532 25834 1763 1 2 . 1 1 151 151 PRO CB C 151 32.673 32.673 32.232 0.441 25834 1764 1 2 . 1 1 152 152 ALA N N 152 123.538 123.538 127.249 -3.711 25834 1765 1 2 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.782 0.101 25834 1766 1 2 . 1 1 152 152 ALA C C 152 172.551 172.551 175.496 -2.945 25834 1767 1 2 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.005 -0.888 25834 1768 1 2 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.325 -1.223 25834 1769 1 2 . 1 1 152 152 ALA H H 152 8.741 8.741 8.371 0.370 25834 1770 1 2 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.485 0.152 25834 1771 1 2 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.158 -0.078 25834 1772 1 2 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.775 0.555 25834 1773 1 2 . 1 1 154 154 VAL N N 154 121.024 121.024 114.790 6.234 25834 1774 1 2 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.503 -0.179 25834 1775 1 2 . 1 1 154 154 VAL C C 154 176.371 176.371 176.500 -0.129 25834 1776 1 2 . 1 1 154 154 VAL CA C 154 65.636 65.636 63.657 1.979 25834 1777 1 2 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.440 0.073 25834 1778 1 2 . 1 1 154 154 VAL H H 154 8.653 8.653 8.444 0.209 25834 1779 1 2 . 1 1 155 155 GLY N N 155 116.464 116.464 114.077 2.387 25834 1780 1 2 . 1 1 155 155 GLY C C 155 174.707 174.707 174.867 -0.160 25834 1781 1 2 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.526 -1.217 25834 1782 1 2 . 1 1 155 155 GLY H H 155 9.242 9.242 8.630 0.612 25834 1783 1 2 . 1 1 156 156 SER N N 156 117.176 117.176 116.800 0.376 25834 1784 1 2 . 1 1 156 156 SER HA H 156 4.684 4.684 4.791 -0.107 25834 1785 1 2 . 1 1 156 156 SER C C 156 172.437 172.437 173.417 -0.980 25834 1786 1 2 . 1 1 156 156 SER CA C 156 60.271 60.271 57.299 2.972 25834 1787 1 2 . 1 1 156 156 SER CB C 156 64.119 64.119 65.284 -1.165 25834 1788 1 2 . 1 1 156 156 SER H H 156 8.166 8.166 7.842 0.324 25834 1789 1 2 . 1 1 157 157 SER N N 157 117.025 117.025 114.766 2.259 25834 1790 1 2 . 1 1 157 157 SER HA H 157 5.334 5.334 5.445 -0.111 25834 1791 1 2 . 1 1 157 157 SER C C 157 173.729 173.729 173.564 0.165 25834 1792 1 2 . 1 1 157 157 SER CA C 157 56.737 56.737 57.229 -0.492 25834 1793 1 2 . 1 1 157 157 SER CB C 157 65.445 65.445 66.314 -0.869 25834 1794 1 2 . 1 1 157 157 SER H H 157 8.371 8.371 8.371 -0.000 25834 1795 1 2 . 1 1 158 158 ILE N N 158 126.089 126.089 118.533 7.556 25834 1796 1 2 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.383 0.436 25834 1797 1 2 . 1 1 158 158 ILE C C 158 174.471 174.471 174.197 0.274 25834 1798 1 2 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.607 -0.558 25834 1799 1 2 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.773 0.661 25834 1800 1 2 . 1 1 158 158 ILE H H 158 9.601 9.601 8.484 1.117 25834 1801 1 2 . 1 1 159 159 GLN N N 159 123.323 123.323 120.484 2.839 25834 1802 1 2 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.988 -0.426 25834 1803 1 2 . 1 1 159 159 GLN C C 159 174.219 174.219 174.439 -0.220 25834 1804 1 2 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.549 0.555 25834 1805 1 2 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.205 0.422 25834 1806 1 2 . 1 1 159 159 GLN H H 159 8.290 8.290 8.191 0.099 25834 1807 1 2 . 1 1 160 160 PHE N N 160 124.084 124.084 117.513 6.571 25834 1808 1 2 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.782 -0.218 25834 1809 1 2 . 1 1 160 160 PHE C C 160 174.368 174.368 173.988 0.380 25834 1810 1 2 . 1 1 160 160 PHE CA C 160 56.415 56.415 57.062 -0.647 25834 1811 1 2 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.030 -0.353 25834 1812 1 2 . 1 1 160 160 PHE H H 160 9.622 9.622 8.895 0.727 25834 1813 1 2 . 1 1 161 161 GLY N N 161 108.516 108.516 112.188 -3.672 25834 1814 1 2 . 1 1 161 161 GLY C C 161 173.064 173.064 173.046 0.018 25834 1815 1 2 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.230 0.942 25834 1816 1 2 . 1 1 161 161 GLY H H 161 8.409 8.409 7.861 0.548 25834 1817 1 2 . 1 1 162 162 PHE N N 162 123.240 123.240 120.821 2.419 25834 1818 1 2 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.615 0.326 25834 1819 1 2 . 1 1 162 162 PHE C C 162 175.982 175.982 175.404 0.578 25834 1820 1 2 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.946 -2.885 25834 1821 1 2 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.722 -1.631 25834 1822 1 2 . 1 1 162 162 PHE H H 162 8.848 8.848 7.826 1.022 25834 1823 1 2 . 1 1 163 163 SER N N 163 113.673 113.673 115.093 -1.420 25834 1824 1 2 . 1 1 163 163 SER HA H 163 4.001 4.001 3.758 0.243 25834 1825 1 2 . 1 1 163 163 SER C C 163 176.303 176.303 174.876 1.427 25834 1826 1 2 . 1 1 163 163 SER CA C 163 58.004 58.004 57.747 0.257 25834 1827 1 2 . 1 1 163 163 SER CB C 163 62.297 62.297 63.263 -0.966 25834 1828 1 2 . 1 1 163 163 SER H H 163 7.071 7.071 6.742 0.329 25834 1829 1 2 . 1 1 164 164 SER N N 164 126.213 126.213 116.568 9.645 25834 1830 1 2 . 1 1 164 164 SER HA H 164 4.188 4.188 4.388 -0.200 25834 1831 1 2 . 1 1 164 164 SER C C 164 174.499 174.499 174.994 -0.495 25834 1832 1 2 . 1 1 164 164 SER CA C 164 59.606 59.606 59.176 0.430 25834 1833 1 2 . 1 1 164 164 SER CB C 164 63.841 63.841 63.403 0.438 25834 1834 1 2 . 1 1 164 164 SER H H 164 9.901 9.901 8.585 1.316 25834 1835 1 2 . 1 1 165 165 ARG N N 165 122.909 122.909 122.250 0.659 25834 1836 1 2 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.090 0.130 25834 1837 1 2 . 1 1 165 165 ARG C C 165 175.560 175.560 174.997 0.563 25834 1838 1 2 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.366 1.083 25834 1839 1 2 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.113 0.878 25834 1840 1 2 . 1 1 165 165 ARG H H 165 8.096 8.096 7.519 0.577 25834 1841 1 2 . 1 1 166 166 VAL N N 166 123.934 123.934 121.129 2.805 25834 1842 1 2 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.419 -0.261 25834 1843 1 2 . 1 1 166 166 VAL C C 166 174.398 174.398 174.559 -0.161 25834 1844 1 2 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.642 1.401 25834 1845 1 2 . 1 1 166 166 VAL CB C 166 33.399 33.399 35.017 -1.618 25834 1846 1 2 . 1 1 166 166 VAL H H 166 8.756 8.756 7.531 1.225 25834 1847 1 2 . 1 1 167 167 TYR N N 167 126.353 126.353 126.799 -0.446 25834 1848 1 2 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.032 0.170 25834 1849 1 2 . 1 1 167 167 TYR C C 167 174.823 174.823 175.192 -0.369 25834 1850 1 2 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.595 -0.692 25834 1851 1 2 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.309 1.547 25834 1852 1 2 . 1 1 167 167 TYR H H 167 8.637 8.637 8.227 0.409 25834 1853 1 2 . 1 1 168 168 LYS N N 168 123.312 123.312 125.588 -2.276 25834 1854 1 2 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.854 0.632 25834 1855 1 2 . 1 1 168 168 LYS C C 168 176.634 176.634 175.521 1.113 25834 1856 1 2 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.547 -0.635 25834 1857 1 2 . 1 1 168 168 LYS CB C 168 35.902 35.902 34.073 1.829 25834 1858 1 2 . 1 1 168 168 LYS H H 168 9.005 9.005 8.953 0.052 25834 1859 1 2 . 1 1 169 169 VAL N N 169 125.863 125.863 126.137 -0.274 25834 1860 1 2 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.337 -0.519 25834 1861 1 2 . 1 1 169 169 VAL C C 169 175.804 175.804 175.358 0.446 25834 1862 1 2 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.509 1.346 25834 1863 1 2 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.539 -1.602 25834 1864 1 2 . 1 1 169 169 VAL H H 169 8.305 8.305 8.581 -0.276 25834 1865 1 2 . 1 1 170 170 GLN N N 170 129.871 129.871 123.179 6.692 25834 1866 1 2 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.523 0.344 25834 1867 1 2 . 1 1 170 170 GLN C C 170 174.293 174.293 172.948 1.345 25834 1868 1 2 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.215 -1.397 25834 1869 1 2 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.366 -0.686 25834 1870 1 2 . 1 1 170 170 GLN H H 170 9.124 9.124 8.070 1.054 25834 1871 1 2 . 1 1 171 171 LEU N N 171 122.168 122.168 124.609 -2.441 25834 1872 1 2 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.635 -0.143 25834 1873 1 2 . 1 1 171 171 LEU C C 171 177.672 177.672 176.289 1.383 25834 1874 1 2 . 1 1 171 171 LEU CA C 171 55.951 55.951 54.087 1.865 25834 1875 1 2 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.616 0.407 25834 1876 1 2 . 1 1 171 171 LEU H H 171 8.569 8.569 8.359 0.210 25834 1877 1 2 . 1 1 172 172 GLY N N 172 111.174 111.174 113.934 -2.760 25834 1878 1 2 . 1 1 172 172 GLY C C 172 171.895 171.895 173.232 -1.337 25834 1879 1 2 . 1 1 172 172 GLY CA C 172 44.179 44.179 43.706 0.473 25834 1880 1 2 . 1 1 172 172 GLY H H 172 8.588 8.588 8.173 0.415 25834 1881 1 2 . 1 1 175 175 SER N N 175 115.756 115.756 120.185 -4.429 25834 1882 1 2 . 1 1 175 175 SER HA H 175 4.274 4.274 4.634 -0.360 25834 1883 1 2 . 1 1 175 175 SER C C 175 174.314 174.314 174.225 0.089 25834 1884 1 2 . 1 1 175 175 SER CA C 175 57.998 57.998 58.211 -0.213 25834 1885 1 2 . 1 1 175 175 SER CB C 175 63.886 63.886 63.779 0.107 25834 1886 1 2 . 1 1 175 175 SER H H 175 7.661 7.661 8.522 -0.861 25834 1887 1 2 . 1 1 176 176 SER N N 176 117.882 117.882 119.367 -1.485 25834 1888 1 2 . 1 1 176 176 SER HA H 176 4.698 4.698 4.705 -0.007 25834 1889 1 2 . 1 1 176 176 SER C C 176 173.521 173.521 173.801 -0.280 25834 1890 1 2 . 1 1 176 176 SER CA C 176 58.601 58.601 57.827 0.774 25834 1891 1 2 . 1 1 176 176 SER CB C 176 64.242 64.242 63.934 0.308 25834 1892 1 2 . 1 1 176 176 SER H H 176 8.265 8.265 8.591 -0.326 25834 1893 1 3 . 1 1 1 1 MET N N 1 121.215 121.215 120.940 0.275 25834 1894 1 3 . 1 1 1 1 MET HA H 1 4.416 4.416 4.401 0.015 25834 1895 1 3 . 1 1 1 1 MET C C 1 176.061 176.061 175.832 0.229 25834 1896 1 3 . 1 1 1 1 MET CA C 1 55.827 55.827 55.141 0.686 25834 1897 1 3 . 1 1 1 1 MET CB C 1 32.869 32.869 32.843 0.026 25834 1898 1 3 . 1 1 1 1 MET H H 1 8.477 8.477 8.098 0.379 25834 1899 1 3 . 1 1 2 2 VAL N N 2 122.483 122.483 120.976 1.507 25834 1900 1 3 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.430 -0.263 25834 1901 1 3 . 1 1 2 2 VAL C C 2 176.225 176.225 175.101 1.124 25834 1902 1 3 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.141 0.015 25834 1903 1 3 . 1 1 2 2 VAL CB C 2 32.855 32.855 33.242 -0.387 25834 1904 1 3 . 1 1 2 2 VAL H H 2 8.213 8.213 8.232 -0.019 25834 1905 1 3 . 1 1 3 3 THR N N 3 117.952 117.952 120.391 -2.439 25834 1906 1 3 . 1 1 3 3 THR HA H 3 4.353 4.353 4.682 -0.329 25834 1907 1 3 . 1 1 3 3 THR C C 3 174.614 174.614 173.663 0.951 25834 1908 1 3 . 1 1 3 3 THR CA C 3 61.571 61.571 61.049 0.522 25834 1909 1 3 . 1 1 3 3 THR CB C 3 69.948 69.948 69.524 0.424 25834 1910 1 3 . 1 1 3 3 THR H H 3 8.228 8.228 8.211 0.017 25834 1911 1 3 . 1 1 4 4 SER N N 4 118.076 118.076 118.376 -0.300 25834 1912 1 3 . 1 1 4 4 SER HA H 4 4.490 4.490 4.715 -0.225 25834 1913 1 3 . 1 1 4 4 SER C C 4 174.867 174.867 174.186 0.681 25834 1914 1 3 . 1 1 4 4 SER CA C 4 58.451 58.451 57.806 0.645 25834 1915 1 3 . 1 1 4 4 SER CB C 4 63.853 63.853 65.644 -1.790 25834 1916 1 3 . 1 1 4 4 SER H H 4 8.350 8.350 8.348 0.002 25834 1917 1 3 . 1 1 5 5 THR N N 5 115.176 115.176 117.118 -1.942 25834 1918 1 3 . 1 1 5 5 THR HA H 5 4.277 4.277 4.653 -0.376 25834 1919 1 3 . 1 1 5 5 THR C C 5 175.173 175.173 174.820 0.353 25834 1920 1 3 . 1 1 5 5 THR CA C 5 62.114 62.114 61.876 0.238 25834 1921 1 3 . 1 1 5 5 THR CB C 5 69.702 69.702 68.784 0.918 25834 1922 1 3 . 1 1 5 5 THR H H 5 8.125 8.125 8.661 -0.536 25834 1923 1 3 . 1 1 6 6 GLY N N 6 110.725 110.725 108.957 1.768 25834 1924 1 3 . 1 1 6 6 GLY C C 6 173.939 173.939 173.639 0.300 25834 1925 1 3 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.181 0.072 25834 1926 1 3 . 1 1 6 6 GLY H H 6 8.289 8.289 7.888 0.401 25834 1927 1 3 . 1 1 7 7 LEU N N 7 121.627 121.627 118.605 3.022 25834 1928 1 3 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.936 -0.690 25834 1929 1 3 . 1 1 7 7 LEU C C 7 177.317 177.317 175.488 1.829 25834 1930 1 3 . 1 1 7 7 LEU CA C 7 55.509 55.509 53.821 1.688 25834 1931 1 3 . 1 1 7 7 LEU CB C 7 42.507 42.507 43.690 -1.183 25834 1932 1 3 . 1 1 7 7 LEU H H 7 7.984 7.984 7.604 0.380 25834 1933 1 3 . 1 1 8 8 LEU N N 8 122.317 122.317 121.364 0.953 25834 1934 1 3 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.768 -0.464 25834 1935 1 3 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.635 0.654 25834 1936 1 3 . 1 1 8 8 LEU CB C 8 42.314 42.314 44.287 -1.973 25834 1937 1 3 . 1 1 8 8 LEU H H 8 8.163 8.163 8.233 -0.070 25834 1938 1 3 . 1 1 9 9 SER N N 9 116.218 116.218 120.344 -4.126 25834 1939 1 3 . 1 1 9 9 SER HA H 9 4.315 4.315 4.377 -0.062 25834 1940 1 3 . 1 1 9 9 SER CA C 9 58.253 58.253 58.169 0.084 25834 1941 1 3 . 1 1 9 9 SER CB C 9 63.786 63.786 64.029 -0.243 25834 1942 1 3 . 1 1 9 9 SER H H 9 8.088 8.088 8.566 -0.478 25834 1943 1 3 . 1 1 10 10 ARG N N 10 122.939 122.939 124.260 -1.321 25834 1944 1 3 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.477 -0.172 25834 1945 1 3 . 1 1 10 10 ARG C C 10 177.734 177.734 175.662 2.072 25834 1946 1 3 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.663 0.626 25834 1947 1 3 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.199 -0.608 25834 1948 1 3 . 1 1 10 10 ARG H H 10 8.211 8.211 8.387 -0.176 25834 1949 1 3 . 1 1 11 11 VAL N N 11 120.980 120.980 121.271 -0.291 25834 1950 1 3 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.332 -0.327 25834 1951 1 3 . 1 1 11 11 VAL C C 11 175.793 175.793 175.509 0.284 25834 1952 1 3 . 1 1 11 11 VAL CA C 11 62.353 62.353 61.538 0.815 25834 1953 1 3 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.237 -0.569 25834 1954 1 3 . 1 1 11 11 VAL H H 11 8.006 8.006 8.355 -0.349 25834 1955 1 3 . 1 1 12 12 ALA N N 12 127.736 127.736 127.704 0.032 25834 1956 1 3 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.635 -0.403 25834 1957 1 3 . 1 1 12 12 ALA C C 12 177.174 177.174 176.401 0.773 25834 1958 1 3 . 1 1 12 12 ALA CA C 12 52.429 52.429 51.503 0.926 25834 1959 1 3 . 1 1 12 12 ALA CB C 12 19.227 19.227 20.788 -1.562 25834 1960 1 3 . 1 1 12 12 ALA H H 12 8.246 8.246 8.203 0.043 25834 1961 1 3 . 1 1 13 13 ALA N N 13 123.061 123.061 124.352 -1.291 25834 1962 1 3 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.654 -0.417 25834 1963 1 3 . 1 1 13 13 ALA C C 13 177.800 177.800 176.899 0.901 25834 1964 1 3 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.720 0.725 25834 1965 1 3 . 1 1 13 13 ALA CB C 13 19.115 19.115 19.185 -0.070 25834 1966 1 3 . 1 1 13 13 ALA H H 13 8.158 8.158 8.292 -0.134 25834 1967 1 3 . 1 1 14 14 VAL N N 14 119.391 119.391 123.457 -4.066 25834 1968 1 3 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.211 -0.211 25834 1969 1 3 . 1 1 14 14 VAL C C 14 176.284 176.284 175.238 1.046 25834 1970 1 3 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.341 -0.004 25834 1971 1 3 . 1 1 14 14 VAL CB C 14 32.739 32.739 32.371 0.368 25834 1972 1 3 . 1 1 14 14 VAL H H 14 7.988 7.988 8.509 -0.521 25834 1973 1 3 . 1 1 15 15 GLU N N 15 124.744 124.744 126.853 -2.109 25834 1974 1 3 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.589 -0.389 25834 1975 1 3 . 1 1 15 15 GLU C C 15 176.542 176.542 175.245 1.297 25834 1976 1 3 . 1 1 15 15 GLU CA C 15 56.541 56.541 56.248 0.293 25834 1977 1 3 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.692 -0.164 25834 1978 1 3 . 1 1 15 15 GLU H H 15 8.369 8.369 8.651 -0.282 25834 1979 1 3 . 1 1 16 16 LYS N N 16 122.786 122.786 122.923 -0.137 25834 1980 1 3 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.711 -0.514 25834 1981 1 3 . 1 1 16 16 LYS C C 16 176.218 176.218 175.559 0.659 25834 1982 1 3 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.345 0.908 25834 1983 1 3 . 1 1 16 16 LYS CB C 16 32.898 32.898 34.048 -1.150 25834 1984 1 3 . 1 1 16 16 LYS H H 16 8.264 8.264 8.473 -0.209 25834 1985 1 3 . 1 1 17 17 ALA N N 17 125.458 125.458 122.783 2.675 25834 1986 1 3 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.773 -0.589 25834 1987 1 3 . 1 1 17 17 ALA C C 17 177.579 177.579 176.085 1.494 25834 1988 1 3 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.965 0.551 25834 1989 1 3 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.348 -1.243 25834 1990 1 3 . 1 1 17 17 ALA H H 17 8.226 8.226 8.440 -0.214 25834 1991 1 3 . 1 1 18 18 ALA N N 18 123.616 123.616 123.961 -0.345 25834 1992 1 3 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.423 -0.199 25834 1993 1 3 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.819 0.701 25834 1994 1 3 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.190 -1.063 25834 1995 1 3 . 1 1 18 18 ALA H H 18 8.153 8.153 8.400 -0.247 25834 1996 1 3 . 1 1 19 19 GLU N N 19 120.282 120.282 121.973 -1.691 25834 1997 1 3 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.565 -0.366 25834 1998 1 3 . 1 1 19 19 GLU CA C 19 56.370 56.370 56.102 0.268 25834 1999 1 3 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.436 0.201 25834 2000 1 3 . 1 1 19 19 GLU H H 19 8.209 8.209 8.507 -0.298 25834 2001 1 3 . 1 1 20 20 ILE N N 20 122.046 122.046 124.129 -2.083 25834 2002 1 3 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.152 -0.092 25834 2003 1 3 . 1 1 20 20 ILE C C 20 175.806 175.806 176.171 -0.365 25834 2004 1 3 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.111 -0.131 25834 2005 1 3 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.803 -0.113 25834 2006 1 3 . 1 1 20 20 ILE H H 20 8.038 8.038 8.440 -0.402 25834 2007 1 3 . 1 1 21 21 ALA N N 21 128.175 128.175 129.832 -1.657 25834 2008 1 3 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.347 -0.162 25834 2009 1 3 . 1 1 21 21 ALA C C 21 175.942 175.942 177.241 -1.299 25834 2010 1 3 . 1 1 21 21 ALA CA C 21 52.447 52.447 52.375 0.072 25834 2011 1 3 . 1 1 21 21 ALA CB C 21 19.297 19.297 18.913 0.384 25834 2012 1 3 . 1 1 21 21 ALA H H 21 8.224 8.224 8.368 -0.144 25834 2013 1 3 . 1 1 22 22 LYS N N 22 120.107 120.107 125.493 -5.386 25834 2014 1 3 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.590 -0.363 25834 2015 1 3 . 1 1 22 22 LYS C C 22 174.303 174.303 174.288 0.015 25834 2016 1 3 . 1 1 22 22 LYS CA C 22 53.397 53.397 54.322 -0.925 25834 2017 1 3 . 1 1 22 22 LYS CB C 22 34.459 34.459 33.792 0.667 25834 2018 1 3 . 1 1 22 22 LYS H H 22 7.903 7.903 8.470 -0.567 25834 2019 1 3 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.413 -0.070 25834 2020 1 3 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.978 -0.285 25834 2021 1 3 . 1 1 26 26 PRO CB C 26 32.060 32.060 31.907 0.153 25834 2022 1 3 . 1 1 27 27 LYS N N 27 121.752 121.752 124.478 -2.726 25834 2023 1 3 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.355 -0.141 25834 2024 1 3 . 1 1 27 27 LYS C C 27 176.450 176.450 176.781 -0.331 25834 2025 1 3 . 1 1 27 27 LYS CA C 27 56.209 56.209 56.294 -0.084 25834 2026 1 3 . 1 1 27 27 LYS CB C 27 32.935 32.935 32.636 0.299 25834 2027 1 3 . 1 1 27 27 LYS H H 27 8.253 8.253 8.455 -0.202 25834 2028 1 3 . 1 1 28 28 VAL N N 28 123.000 123.000 120.223 2.777 25834 2029 1 3 . 1 1 28 28 VAL HA H 28 4.004 4.004 4.474 -0.470 25834 2030 1 3 . 1 1 28 28 VAL C C 28 175.672 175.672 175.356 0.316 25834 2031 1 3 . 1 1 28 28 VAL CA C 28 62.268 62.268 61.149 1.119 25834 2032 1 3 . 1 1 28 28 VAL CB C 28 32.882 32.882 33.071 -0.189 25834 2033 1 3 . 1 1 28 28 VAL H H 28 8.128 8.128 8.282 -0.154 25834 2034 1 3 . 1 1 29 29 VAL N N 29 126.899 126.899 120.174 6.725 25834 2035 1 3 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.439 -0.568 25834 2036 1 3 . 1 1 29 29 VAL C C 29 174.835 174.835 175.377 -0.542 25834 2037 1 3 . 1 1 29 29 VAL CA C 29 62.288 62.288 61.129 1.159 25834 2038 1 3 . 1 1 29 29 VAL CB C 29 32.811 32.811 33.823 -1.012 25834 2039 1 3 . 1 1 29 29 VAL H H 29 8.144 8.144 8.169 -0.025 25834 2040 1 3 . 1 1 30 30 GLU N N 30 125.745 125.745 125.083 0.662 25834 2041 1 3 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.329 -0.142 25834 2042 1 3 . 1 1 30 30 GLU C C 30 177.203 177.203 175.255 1.948 25834 2043 1 3 . 1 1 30 30 GLU CA C 30 55.688 55.688 57.085 -1.397 25834 2044 1 3 . 1 1 30 30 GLU CB C 30 30.501 30.501 30.253 0.248 25834 2045 1 3 . 1 1 30 30 GLU H H 30 8.239 8.239 8.529 -0.290 25834 2046 1 3 . 1 1 31 31 LEU N N 31 125.229 125.229 119.900 5.329 25834 2047 1 3 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.955 -0.128 25834 2048 1 3 . 1 1 31 31 LEU C C 31 178.237 178.237 175.573 2.664 25834 2049 1 3 . 1 1 31 31 LEU CA C 31 54.633 54.633 53.710 0.923 25834 2050 1 3 . 1 1 31 31 LEU CB C 31 43.356 43.356 45.076 -1.720 25834 2051 1 3 . 1 1 31 31 LEU H H 31 8.513 8.513 8.502 0.011 25834 2052 1 3 . 1 1 32 32 THR N N 32 113.162 113.162 111.385 1.777 25834 2053 1 3 . 1 1 32 32 THR HA H 32 4.184 4.184 4.610 -0.426 25834 2054 1 3 . 1 1 32 32 THR C C 32 174.923 174.923 175.324 -0.401 25834 2055 1 3 . 1 1 32 32 THR CA C 32 61.002 61.002 60.313 0.689 25834 2056 1 3 . 1 1 32 32 THR CB C 32 70.848 70.848 71.041 -0.193 25834 2057 1 3 . 1 1 32 32 THR H H 32 8.444 8.444 8.211 0.233 25834 2058 1 3 . 1 1 33 33 GLU N N 33 119.849 119.849 120.144 -0.295 25834 2059 1 3 . 1 1 33 33 GLU HA H 33 3.756 3.756 3.951 -0.195 25834 2060 1 3 . 1 1 33 33 GLU C C 33 178.906 178.906 178.039 0.867 25834 2061 1 3 . 1 1 33 33 GLU CA C 33 59.855 59.855 58.949 0.906 25834 2062 1 3 . 1 1 33 33 GLU CB C 33 28.903 28.903 28.884 0.019 25834 2063 1 3 . 1 1 33 33 GLU H H 33 8.614 8.614 8.855 -0.241 25834 2064 1 3 . 1 1 34 34 ALA N N 34 118.382 118.382 119.966 -1.584 25834 2065 1 3 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.198 -0.228 25834 2066 1 3 . 1 1 34 34 ALA C C 34 180.554 180.554 178.104 2.450 25834 2067 1 3 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.538 1.045 25834 2068 1 3 . 1 1 34 34 ALA CB C 34 18.776 18.776 17.912 0.864 25834 2069 1 3 . 1 1 34 34 ALA H H 34 8.102 8.102 8.229 -0.127 25834 2070 1 3 . 1 1 35 35 ALA N N 35 121.658 121.658 120.723 0.935 25834 2071 1 3 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.174 -0.329 25834 2072 1 3 . 1 1 35 35 ALA C C 35 178.231 178.231 179.088 -0.857 25834 2073 1 3 . 1 1 35 35 ALA CA C 35 54.506 54.506 53.721 0.784 25834 2074 1 3 . 1 1 35 35 ALA CB C 35 19.145 19.145 19.390 -0.245 25834 2075 1 3 . 1 1 35 35 ALA H H 35 7.456 7.456 7.668 -0.212 25834 2076 1 3 . 1 1 36 36 LYS N N 36 114.479 114.479 118.135 -3.656 25834 2077 1 3 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.191 -0.335 25834 2078 1 3 . 1 1 36 36 LYS C C 36 176.884 176.884 177.356 -0.472 25834 2079 1 3 . 1 1 36 36 LYS CA C 36 58.800 58.800 57.569 1.230 25834 2080 1 3 . 1 1 36 36 LYS CB C 36 32.820 32.820 31.613 1.207 25834 2081 1 3 . 1 1 36 36 LYS H H 36 7.897 7.897 8.065 -0.168 25834 2082 1 3 . 1 1 37 37 GLN N N 37 114.203 114.203 117.597 -3.394 25834 2083 1 3 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.287 -0.087 25834 2084 1 3 . 1 1 37 37 GLN C C 37 176.478 176.478 175.491 0.987 25834 2085 1 3 . 1 1 37 37 GLN CA C 37 55.119 55.119 55.757 -0.638 25834 2086 1 3 . 1 1 37 37 GLN CB C 37 28.383 28.383 29.007 -0.624 25834 2087 1 3 . 1 1 37 37 GLN H H 37 6.970 6.970 8.221 -1.251 25834 2088 1 3 . 1 1 38 38 LEU N N 38 120.478 120.478 118.589 1.889 25834 2089 1 3 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.864 -1.019 25834 2090 1 3 . 1 1 38 38 LEU C C 38 171.820 171.820 174.752 -2.932 25834 2091 1 3 . 1 1 38 38 LEU CA C 38 53.862 53.862 51.381 2.481 25834 2092 1 3 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.474 -1.457 25834 2093 1 3 . 1 1 38 38 LEU H H 38 7.155 7.155 7.304 -0.149 25834 2094 1 3 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.370 -0.045 25834 2095 1 3 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.351 0.599 25834 2096 1 3 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.215 -0.133 25834 2097 1 3 . 1 1 40 40 GLN N N 40 125.695 125.695 120.532 5.163 25834 2098 1 3 . 1 1 40 40 GLN HA H 40 3.784 3.784 3.925 -0.141 25834 2099 1 3 . 1 1 40 40 GLN C C 40 177.994 177.994 177.409 0.585 25834 2100 1 3 . 1 1 40 40 GLN CA C 40 59.489 59.489 56.403 3.086 25834 2101 1 3 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.200 -1.073 25834 2102 1 3 . 1 1 40 40 GLN H H 40 9.245 9.245 8.392 0.853 25834 2103 1 3 . 1 1 41 41 HIS N N 41 125.870 125.870 117.949 7.921 25834 2104 1 3 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.197 0.332 25834 2105 1 3 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.895 -1.487 25834 2106 1 3 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.513 -0.124 25834 2107 1 3 . 1 1 41 41 HIS H H 41 11.289 11.289 8.739 2.550 25834 2108 1 3 . 1 1 42 42 ILE N N 42 119.609 119.609 117.114 2.495 25834 2109 1 3 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.991 -0.124 25834 2110 1 3 . 1 1 42 42 ILE C C 42 178.715 178.715 177.479 1.236 25834 2111 1 3 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.095 -2.972 25834 2112 1 3 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.028 -1.480 25834 2113 1 3 . 1 1 42 42 ILE H H 42 6.700 6.700 8.045 -1.345 25834 2114 1 3 . 1 1 43 43 ILE N N 43 122.532 122.532 120.105 2.427 25834 2115 1 3 . 1 1 43 43 ILE HA H 43 3.499 3.499 4.077 -0.578 25834 2116 1 3 . 1 1 43 43 ILE C C 43 178.325 178.325 177.493 0.832 25834 2117 1 3 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.123 2.414 25834 2118 1 3 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.572 0.666 25834 2119 1 3 . 1 1 43 43 ILE H H 43 7.673 7.673 7.809 -0.136 25834 2120 1 3 . 1 1 44 44 GLY N N 44 101.559 101.559 106.664 -5.105 25834 2121 1 3 . 1 1 44 44 GLY C C 44 174.914 174.914 174.714 0.200 25834 2122 1 3 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.779 -0.416 25834 2123 1 3 . 1 1 44 44 GLY H H 44 7.938 7.938 7.963 -0.025 25834 2124 1 3 . 1 1 45 45 VAL N N 45 106.862 106.862 117.697 -10.835 25834 2125 1 3 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.163 0.595 25834 2126 1 3 . 1 1 45 45 VAL C C 45 175.397 175.397 175.599 -0.202 25834 2127 1 3 . 1 1 45 45 VAL CA C 45 60.531 60.531 61.828 -1.298 25834 2128 1 3 . 1 1 45 45 VAL CB C 45 33.024 33.024 33.295 -0.271 25834 2129 1 3 . 1 1 45 45 VAL H H 45 6.843 6.843 7.198 -0.355 25834 2130 1 3 . 1 1 46 46 THR N N 46 117.226 117.226 114.318 2.908 25834 2131 1 3 . 1 1 46 46 THR HA H 46 4.447 4.447 3.805 0.642 25834 2132 1 3 . 1 1 46 46 THR C C 46 172.087 172.087 173.734 -1.647 25834 2133 1 3 . 1 1 46 46 THR CA C 46 62.571 62.571 60.465 2.106 25834 2134 1 3 . 1 1 46 46 THR CB C 46 68.863 68.863 70.603 -1.740 25834 2135 1 3 . 1 1 46 46 THR H H 46 7.093 7.093 7.399 -0.306 25834 2136 1 3 . 1 1 47 47 ASP N N 47 127.436 127.436 121.866 5.570 25834 2137 1 3 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.889 -0.272 25834 2138 1 3 . 1 1 47 47 ASP C C 47 174.684 174.684 176.732 -2.048 25834 2139 1 3 . 1 1 47 47 ASP CA C 47 52.604 52.604 52.294 0.310 25834 2140 1 3 . 1 1 47 47 ASP CB C 47 42.737 42.737 42.285 0.452 25834 2141 1 3 . 1 1 47 47 ASP H H 47 7.612 7.612 8.470 -0.858 25834 2142 1 3 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.356 -0.367 25834 2143 1 3 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.317 -0.289 25834 2144 1 3 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.024 0.256 25834 2145 1 3 . 1 1 49 49 THR N N 49 114.121 114.121 112.261 1.860 25834 2146 1 3 . 1 1 49 49 THR HA H 49 4.189 4.189 4.298 -0.109 25834 2147 1 3 . 1 1 49 49 THR C C 49 177.000 177.000 176.296 0.704 25834 2148 1 3 . 1 1 49 49 THR CA C 49 66.844 66.844 64.746 2.099 25834 2149 1 3 . 1 1 49 49 THR CB C 49 67.824 67.824 68.720 -0.896 25834 2150 1 3 . 1 1 49 49 THR H H 49 7.942 7.942 8.388 -0.446 25834 2151 1 3 . 1 1 50 50 LYS N N 50 123.787 123.787 122.650 1.137 25834 2152 1 3 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.353 -0.436 25834 2153 1 3 . 1 1 50 50 LYS C C 50 177.547 177.547 178.711 -1.164 25834 2154 1 3 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.365 0.367 25834 2155 1 3 . 1 1 50 50 LYS CB C 50 33.315 33.315 31.946 1.369 25834 2156 1 3 . 1 1 50 50 LYS H H 50 7.070 7.070 7.896 -0.826 25834 2157 1 3 . 1 1 51 51 LEU N N 51 115.307 115.307 117.381 -2.074 25834 2158 1 3 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.139 -0.334 25834 2159 1 3 . 1 1 51 51 LEU C C 51 178.314 178.314 178.532 -0.218 25834 2160 1 3 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.985 0.009 25834 2161 1 3 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.613 -0.397 25834 2162 1 3 . 1 1 51 51 LEU H H 51 7.439 7.439 8.013 -0.574 25834 2163 1 3 . 1 1 52 52 ASN N N 52 115.979 115.979 118.056 -2.077 25834 2164 1 3 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.484 -0.212 25834 2165 1 3 . 1 1 52 52 ASN C C 52 178.387 178.387 177.797 0.590 25834 2166 1 3 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.709 -0.544 25834 2167 1 3 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.159 -0.268 25834 2168 1 3 . 1 1 52 52 ASN H H 52 8.533 8.533 7.896 0.637 25834 2169 1 3 . 1 1 53 53 ALA N N 53 119.261 119.261 122.392 -3.131 25834 2170 1 3 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.197 0.033 25834 2171 1 3 . 1 1 53 53 ALA C C 53 179.957 179.957 179.457 0.500 25834 2172 1 3 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.646 -0.609 25834 2173 1 3 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.340 0.982 25834 2174 1 3 . 1 1 53 53 ALA H H 53 7.681 7.681 7.480 0.201 25834 2175 1 3 . 1 1 54 54 GLN N N 54 111.586 111.586 115.183 -3.597 25834 2176 1 3 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.371 0.035 25834 2177 1 3 . 1 1 54 54 GLN C C 54 178.500 178.500 177.013 1.487 25834 2178 1 3 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.522 0.271 25834 2179 1 3 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.029 0.402 25834 2180 1 3 . 1 1 54 54 GLN H H 54 7.905 7.905 7.688 0.217 25834 2181 1 3 . 1 1 55 55 VAL N N 55 120.362 120.362 119.713 0.649 25834 2182 1 3 . 1 1 55 55 VAL HA H 55 4.205 4.205 3.769 0.436 25834 2183 1 3 . 1 1 55 55 VAL C C 55 174.795 174.795 176.782 -1.987 25834 2184 1 3 . 1 1 55 55 VAL CA C 55 64.682 64.682 64.852 -0.170 25834 2185 1 3 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.284 -0.897 25834 2186 1 3 . 1 1 55 55 VAL H H 55 8.137 8.137 7.674 0.463 25834 2187 1 3 . 1 1 56 56 SER N N 56 114.478 114.478 113.492 0.986 25834 2188 1 3 . 1 1 56 56 SER HA H 56 3.882 3.882 4.274 -0.392 25834 2189 1 3 . 1 1 56 56 SER C C 56 174.256 174.256 174.001 0.255 25834 2190 1 3 . 1 1 56 56 SER CA C 56 60.480 60.480 59.277 1.203 25834 2191 1 3 . 1 1 56 56 SER CB C 56 62.427 62.427 63.458 -1.031 25834 2192 1 3 . 1 1 56 56 SER H H 56 7.899 7.899 7.992 -0.093 25834 2193 1 3 . 1 1 57 57 TYR N N 57 117.315 117.315 119.627 -2.312 25834 2194 1 3 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.644 -0.307 25834 2195 1 3 . 1 1 57 57 TYR C C 57 175.570 175.570 175.487 0.083 25834 2196 1 3 . 1 1 57 57 TYR CA C 57 58.673 58.673 59.242 -0.569 25834 2197 1 3 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.549 -0.285 25834 2198 1 3 . 1 1 57 57 TYR H H 57 7.662 7.662 7.926 -0.264 25834 2199 1 3 . 1 1 58 58 PHE N N 58 118.544 118.544 115.798 2.746 25834 2200 1 3 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.938 -0.532 25834 2201 1 3 . 1 1 58 58 PHE C C 58 171.715 171.715 173.394 -1.679 25834 2202 1 3 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.533 0.956 25834 2203 1 3 . 1 1 58 58 PHE CB C 58 41.401 41.401 40.981 0.420 25834 2204 1 3 . 1 1 58 58 PHE H H 58 7.727 7.727 8.253 -0.526 25834 2205 1 3 . 1 1 59 59 GLN N N 59 127.699 127.699 121.879 5.820 25834 2206 1 3 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.378 -0.661 25834 2207 1 3 . 1 1 59 59 GLN C C 59 172.421 172.421 175.640 -3.219 25834 2208 1 3 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.376 -0.163 25834 2209 1 3 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.052 -3.107 25834 2210 1 3 . 1 1 59 59 GLN H H 59 7.909 7.909 8.583 -0.674 25834 2211 1 3 . 1 1 60 60 CYS N N 60 125.668 125.668 120.873 4.795 25834 2212 1 3 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.755 -1.477 25834 2213 1 3 . 1 1 60 60 CYS C C 60 171.317 171.317 173.769 -2.452 25834 2214 1 3 . 1 1 60 60 CYS CA C 60 57.423 57.423 55.335 2.088 25834 2215 1 3 . 1 1 60 60 CYS CB C 60 26.588 26.588 27.861 -1.273 25834 2216 1 3 . 1 1 60 60 CYS H H 60 6.802 6.802 8.287 -1.485 25834 2217 1 3 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.226 -0.124 25834 2218 1 3 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.737 -0.267 25834 2219 1 3 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.906 -0.286 25834 2220 1 3 . 1 1 63 63 TRP N N 63 110.609 110.609 115.099 -4.490 25834 2221 1 3 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.522 -0.090 25834 2222 1 3 . 1 1 63 63 TRP C C 63 176.764 176.764 174.881 1.883 25834 2223 1 3 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.549 -1.540 25834 2224 1 3 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.135 0.223 25834 2225 1 3 . 1 1 63 63 TRP H H 63 6.172 6.172 7.350 -1.178 25834 2226 1 3 . 1 1 64 64 ALA N N 64 124.983 124.983 121.065 3.918 25834 2227 1 3 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.373 1.043 25834 2228 1 3 . 1 1 64 64 ALA C C 64 176.025 176.025 177.170 -1.145 25834 2229 1 3 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.869 -0.232 25834 2230 1 3 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.122 2.233 25834 2231 1 3 . 1 1 64 64 ALA H H 64 7.038 7.038 6.484 0.554 25834 2232 1 3 . 1 1 65 65 ALA N N 65 120.111 120.111 123.097 -2.986 25834 2233 1 3 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.050 0.555 25834 2234 1 3 . 1 1 65 65 ALA C C 65 175.012 175.012 176.668 -1.656 25834 2235 1 3 . 1 1 65 65 ALA CA C 65 50.868 50.868 52.986 -2.118 25834 2236 1 3 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.687 6.035 25834 2237 1 3 . 1 1 65 65 ALA H H 65 8.344 8.344 8.346 -0.002 25834 2238 1 3 . 1 1 66 66 LEU N N 66 118.667 118.667 118.055 0.612 25834 2239 1 3 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.532 -0.549 25834 2240 1 3 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.125 1.062 25834 2241 1 3 . 1 1 66 66 LEU CB C 66 42.535 42.535 43.272 -0.737 25834 2242 1 3 . 1 1 66 66 LEU H H 66 8.272 8.272 7.778 0.494 25834 2243 1 3 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.155 -1.004 25834 2244 1 3 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.334 0.785 25834 2245 1 3 . 1 1 67 67 PRO CB C 67 31.810 31.810 31.865 -0.055 25834 2246 1 3 . 1 1 68 68 SER N N 68 118.916 118.916 115.474 3.442 25834 2247 1 3 . 1 1 68 68 SER HA H 68 4.197 4.197 4.525 -0.328 25834 2248 1 3 . 1 1 68 68 SER C C 68 173.454 173.454 173.021 0.433 25834 2249 1 3 . 1 1 68 68 SER CA C 68 57.667 57.667 58.594 -0.927 25834 2250 1 3 . 1 1 68 68 SER CB C 68 63.129 63.129 64.371 -1.242 25834 2251 1 3 . 1 1 68 68 SER H H 68 6.468 6.468 8.568 -2.100 25834 2252 1 3 . 1 1 69 69 VAL N N 69 119.159 119.159 119.626 -0.467 25834 2253 1 3 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.200 0.006 25834 2254 1 3 . 1 1 69 69 VAL C C 69 174.162 174.162 174.333 -0.171 25834 2255 1 3 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.985 -0.449 25834 2256 1 3 . 1 1 69 69 VAL CB C 69 34.809 34.809 35.228 -0.420 25834 2257 1 3 . 1 1 69 69 VAL H H 69 6.702 6.702 7.369 -0.667 25834 2258 1 3 . 1 1 70 70 ALA N N 70 128.571 128.571 129.836 -1.265 25834 2259 1 3 . 1 1 70 70 ALA HA H 70 4.224 4.224 5.037 -0.813 25834 2260 1 3 . 1 1 70 70 ALA C C 70 176.888 176.888 176.453 0.435 25834 2261 1 3 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.537 1.353 25834 2262 1 3 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.597 0.121 25834 2263 1 3 . 1 1 70 70 ALA H H 70 8.486 8.486 8.656 -0.170 25834 2264 1 3 . 1 1 71 71 CYS N N 71 120.365 120.365 121.247 -0.882 25834 2265 1 3 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.083 0.363 25834 2266 1 3 . 1 1 71 71 CYS C C 71 173.126 173.126 173.550 -0.424 25834 2267 1 3 . 1 1 71 71 CYS CA C 71 58.111 58.111 56.572 1.539 25834 2268 1 3 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.029 0.704 25834 2269 1 3 . 1 1 71 71 CYS H H 71 8.222 8.222 8.857 -0.635 25834 2270 1 3 . 1 1 72 72 HIS N N 72 114.002 114.002 115.077 -1.075 25834 2271 1 3 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.218 -0.365 25834 2272 1 3 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.113 0.821 25834 2273 1 3 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.441 -0.983 25834 2274 1 3 . 1 1 72 72 HIS H H 72 9.033 9.033 8.525 0.508 25834 2275 1 3 . 1 1 73 73 LEU N N 73 117.312 117.312 120.344 -3.032 25834 2276 1 3 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.575 0.448 25834 2277 1 3 . 1 1 73 73 LEU C C 73 176.776 176.776 174.862 1.914 25834 2278 1 3 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.364 -0.730 25834 2279 1 3 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.476 -3.114 25834 2280 1 3 . 1 1 73 73 LEU H H 73 9.300 9.300 8.197 1.103 25834 2281 1 3 . 1 1 74 74 GLN N N 74 125.734 125.734 124.486 1.248 25834 2282 1 3 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.670 -0.085 25834 2283 1 3 . 1 1 74 74 GLN C C 74 175.495 175.495 173.942 1.553 25834 2284 1 3 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.364 0.602 25834 2285 1 3 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.756 -1.239 25834 2286 1 3 . 1 1 74 74 GLN H H 74 9.117 9.117 8.389 0.728 25834 2287 1 3 . 1 1 75 75 CYS N N 75 129.141 129.141 123.399 5.742 25834 2288 1 3 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.739 -0.692 25834 2289 1 3 . 1 1 75 75 CYS C C 75 173.524 173.524 174.381 -0.857 25834 2290 1 3 . 1 1 75 75 CYS CA C 75 57.494 57.494 55.489 2.005 25834 2291 1 3 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.480 -2.188 25834 2292 1 3 . 1 1 75 75 CYS H H 75 9.362 9.362 8.747 0.615 25834 2293 1 3 . 1 1 76 76 THR N N 76 120.173 120.173 114.281 5.892 25834 2294 1 3 . 1 1 76 76 THR HA H 76 5.014 5.014 5.050 -0.036 25834 2295 1 3 . 1 1 76 76 THR C C 76 172.958 172.958 173.785 -0.827 25834 2296 1 3 . 1 1 76 76 THR CA C 76 59.790 59.790 60.099 -0.309 25834 2297 1 3 . 1 1 76 76 THR CB C 76 72.870 72.870 71.096 1.774 25834 2298 1 3 . 1 1 76 76 THR H H 76 8.477 8.477 8.007 0.470 25834 2299 1 3 . 1 1 77 77 ARG N N 77 121.783 121.783 120.735 1.048 25834 2300 1 3 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.575 -0.163 25834 2301 1 3 . 1 1 77 77 ARG C C 77 175.808 175.808 175.453 0.355 25834 2302 1 3 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.703 0.018 25834 2303 1 3 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.725 0.439 25834 2304 1 3 . 1 1 77 77 ARG H H 77 8.769 8.769 8.076 0.693 25834 2305 1 3 . 1 1 78 78 ASP N N 78 130.879 130.879 123.641 7.238 25834 2306 1 3 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.315 -0.125 25834 2307 1 3 . 1 1 78 78 ASP C C 78 175.472 175.472 176.328 -0.856 25834 2308 1 3 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.334 0.375 25834 2309 1 3 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.893 -0.232 25834 2310 1 3 . 1 1 78 78 ASP H H 78 9.499 9.499 9.124 0.375 25834 2311 1 3 . 1 1 79 79 GLY N N 79 102.423 102.423 103.618 -1.195 25834 2312 1 3 . 1 1 79 79 GLY C C 79 173.613 173.613 173.653 -0.040 25834 2313 1 3 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.131 -0.169 25834 2314 1 3 . 1 1 79 79 GLY H H 79 8.361 8.361 8.228 0.133 25834 2315 1 3 . 1 1 80 80 LEU N N 80 123.754 123.754 121.661 2.093 25834 2316 1 3 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.680 0.307 25834 2317 1 3 . 1 1 80 80 LEU C C 80 174.659 174.659 175.068 -0.409 25834 2318 1 3 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.424 0.766 25834 2319 1 3 . 1 1 80 80 LEU CB C 80 42.053 42.053 42.846 -0.793 25834 2320 1 3 . 1 1 80 80 LEU H H 80 7.775 7.775 7.714 0.061 25834 2321 1 3 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.433 0.134 25834 2322 1 3 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.606 0.254 25834 2323 1 3 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.689 1.771 25834 2324 1 3 . 1 1 82 82 LEU N N 82 126.089 126.089 125.513 0.576 25834 2325 1 3 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.511 0.478 25834 2326 1 3 . 1 1 82 82 LEU C C 82 174.148 174.148 175.957 -1.809 25834 2327 1 3 . 1 1 82 82 LEU CA C 82 52.635 52.635 52.857 -0.222 25834 2328 1 3 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.756 1.245 25834 2329 1 3 . 1 1 82 82 LEU H H 82 8.131 8.131 7.713 0.418 25834 2330 1 3 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.452 -0.262 25834 2331 1 3 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.850 0.990 25834 2332 1 3 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.916 0.164 25834 2333 1 3 . 1 1 84 84 ALA N N 84 123.359 123.359 127.648 -4.289 25834 2334 1 3 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.579 -0.388 25834 2335 1 3 . 1 1 84 84 ALA C C 84 178.112 178.112 176.546 1.566 25834 2336 1 3 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.191 -0.437 25834 2337 1 3 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.424 0.718 25834 2338 1 3 . 1 1 84 84 ALA H H 84 8.063 8.063 8.332 -0.269 25834 2339 1 3 . 1 1 85 85 LEU N N 85 118.757 118.757 121.879 -3.122 25834 2340 1 3 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.541 0.092 25834 2341 1 3 . 1 1 85 85 LEU C C 85 177.225 177.225 176.705 0.520 25834 2342 1 3 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.212 -0.854 25834 2343 1 3 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.818 -3.649 25834 2344 1 3 . 1 1 85 85 LEU H H 85 8.393 8.393 8.186 0.207 25834 2345 1 3 . 1 1 86 86 GLY N N 86 112.143 112.143 110.034 2.109 25834 2346 1 3 . 1 1 86 86 GLY C C 86 173.704 173.704 174.942 -1.238 25834 2347 1 3 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.362 1.518 25834 2348 1 3 . 1 1 86 86 GLY H H 86 9.046 9.046 8.609 0.437 25834 2349 1 3 . 1 1 87 87 LEU N N 87 123.289 123.289 127.528 -4.239 25834 2350 1 3 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.099 0.432 25834 2351 1 3 . 1 1 87 87 LEU C C 87 177.568 177.568 176.319 1.249 25834 2352 1 3 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.726 -0.767 25834 2353 1 3 . 1 1 87 87 LEU CB C 87 42.911 42.911 40.119 2.792 25834 2354 1 3 . 1 1 87 87 LEU H H 87 7.934 7.934 8.062 -0.128 25834 2355 1 3 . 1 1 88 88 HIS N N 88 116.221 116.221 116.274 -0.053 25834 2356 1 3 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.278 -0.407 25834 2357 1 3 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.117 3.451 25834 2358 1 3 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.434 1.342 25834 2359 1 3 . 1 1 88 88 HIS H H 88 9.253 9.253 8.063 1.190 25834 2360 1 3 . 1 1 89 89 ARG N N 89 118.280 118.280 119.564 -1.284 25834 2361 1 3 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.354 -0.314 25834 2362 1 3 . 1 1 89 89 ARG C C 89 175.205 175.205 175.992 -0.787 25834 2363 1 3 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.905 -0.374 25834 2364 1 3 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.768 1.035 25834 2365 1 3 . 1 1 89 89 ARG H H 89 7.300 7.300 8.246 -0.946 25834 2366 1 3 . 1 1 90 90 PHE N N 90 113.880 113.880 114.473 -0.593 25834 2367 1 3 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.637 0.766 25834 2368 1 3 . 1 1 90 90 PHE C C 90 172.663 172.663 173.757 -1.094 25834 2369 1 3 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.782 -2.427 25834 2370 1 3 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.416 -0.305 25834 2371 1 3 . 1 1 90 90 PHE H H 90 7.252 7.252 7.602 -0.350 25834 2372 1 3 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.404 0.445 25834 2373 1 3 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.539 -1.199 25834 2374 1 3 . 1 1 91 91 PRO CB C 91 32.970 32.970 32.005 0.965 25834 2375 1 3 . 1 1 92 92 PHE N N 92 104.480 104.480 112.448 -7.968 25834 2376 1 3 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.251 0.722 25834 2377 1 3 . 1 1 92 92 PHE C C 92 172.347 172.347 173.565 -1.218 25834 2378 1 3 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.757 -0.397 25834 2379 1 3 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.279 0.468 25834 2380 1 3 . 1 1 92 92 PHE H H 92 6.117 6.117 6.904 -0.787 25834 2381 1 3 . 1 1 93 93 TYR N N 93 120.959 120.959 117.167 3.792 25834 2382 1 3 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.972 -0.603 25834 2383 1 3 . 1 1 93 93 TYR C C 93 173.417 173.417 174.096 -0.679 25834 2384 1 3 . 1 1 93 93 TYR CA C 93 57.388 57.388 56.879 0.509 25834 2385 1 3 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.663 1.786 25834 2386 1 3 . 1 1 93 93 TYR H H 93 9.370 9.370 8.942 0.428 25834 2387 1 3 . 1 1 94 94 LEU N N 94 123.359 123.359 121.873 1.486 25834 2388 1 3 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.401 0.682 25834 2389 1 3 . 1 1 94 94 LEU C C 94 176.045 176.045 175.102 0.943 25834 2390 1 3 . 1 1 94 94 LEU CA C 94 54.107 54.107 54.190 -0.083 25834 2391 1 3 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.693 0.480 25834 2392 1 3 . 1 1 94 94 LEU H H 94 10.272 10.272 8.299 1.973 25834 2393 1 3 . 1 1 95 95 PHE N N 95 119.493 119.493 119.776 -0.283 25834 2394 1 3 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.847 0.390 25834 2395 1 3 . 1 1 95 95 PHE C C 95 175.870 175.870 174.806 1.064 25834 2396 1 3 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.308 -0.539 25834 2397 1 3 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.526 1.804 25834 2398 1 3 . 1 1 95 95 PHE H H 95 8.761 8.761 8.284 0.477 25834 2399 1 3 . 1 1 96 96 GLY N N 96 109.374 109.374 111.086 -1.712 25834 2400 1 3 . 1 1 96 96 GLY C C 96 170.712 170.712 172.778 -2.066 25834 2401 1 3 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.224 0.162 25834 2402 1 3 . 1 1 96 96 GLY H H 96 7.966 7.966 8.303 -0.337 25834 2403 1 3 . 1 1 97 97 ARG N N 97 119.683 119.683 119.711 -0.028 25834 2404 1 3 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.827 -0.178 25834 2405 1 3 . 1 1 97 97 ARG C C 97 177.225 177.225 176.101 1.124 25834 2406 1 3 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.644 1.855 25834 2407 1 3 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.858 0.016 25834 2408 1 3 . 1 1 97 97 ARG H H 97 8.147 8.147 8.013 0.134 25834 2409 1 3 . 1 1 98 98 SER N N 98 113.711 113.711 115.623 -1.912 25834 2410 1 3 . 1 1 98 98 SER HA H 98 4.337 4.337 4.396 -0.059 25834 2411 1 3 . 1 1 98 98 SER C C 98 176.172 176.172 175.472 0.700 25834 2412 1 3 . 1 1 98 98 SER CA C 98 57.909 57.909 58.080 -0.171 25834 2413 1 3 . 1 1 98 98 SER CB C 98 63.085 63.085 64.655 -1.570 25834 2414 1 3 . 1 1 98 98 SER H H 98 9.133 9.133 7.579 1.554 25834 2415 1 3 . 1 1 99 99 LYS N N 99 124.590 124.590 123.514 1.076 25834 2416 1 3 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.186 -0.242 25834 2417 1 3 . 1 1 99 99 LYS C C 99 176.548 176.548 176.990 -0.442 25834 2418 1 3 . 1 1 99 99 LYS CA C 99 58.193 58.193 58.319 -0.126 25834 2419 1 3 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.854 -0.193 25834 2420 1 3 . 1 1 99 99 LYS H H 99 8.451 8.451 8.866 -0.415 25834 2421 1 3 . 1 1 100 100 VAL N N 100 114.126 114.126 113.224 0.902 25834 2422 1 3 . 1 1 100 100 VAL HA H 100 3.898 3.898 3.983 -0.085 25834 2423 1 3 . 1 1 100 100 VAL C C 100 176.832 176.832 176.135 0.697 25834 2424 1 3 . 1 1 100 100 VAL CA C 100 62.964 62.964 63.187 -0.223 25834 2425 1 3 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.291 0.402 25834 2426 1 3 . 1 1 100 100 VAL H H 100 7.512 7.512 7.782 -0.270 25834 2427 1 3 . 1 1 101 101 CYS N N 101 119.359 119.359 118.492 0.867 25834 2428 1 3 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.289 -0.802 25834 2429 1 3 . 1 1 101 101 CYS C C 101 172.156 172.156 175.256 -3.100 25834 2430 1 3 . 1 1 101 101 CYS CA C 101 61.155 61.155 60.504 0.651 25834 2431 1 3 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.560 -2.712 25834 2432 1 3 . 1 1 101 101 CYS H H 101 7.641 7.641 7.365 0.276 25834 2433 1 3 . 1 1 102 102 ASP N N 102 118.734 118.734 120.292 -1.558 25834 2434 1 3 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.494 -0.565 25834 2435 1 3 . 1 1 102 102 ASP C C 102 175.410 175.410 175.583 -0.173 25834 2436 1 3 . 1 1 102 102 ASP CA C 102 57.029 57.029 56.619 0.410 25834 2437 1 3 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.477 1.451 25834 2438 1 3 . 1 1 102 102 ASP H H 102 7.367 7.367 8.324 -0.957 25834 2439 1 3 . 1 1 103 103 TYR N N 103 114.004 114.004 120.181 -6.177 25834 2440 1 3 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.763 0.469 25834 2441 1 3 . 1 1 103 103 TYR C C 103 172.997 172.997 173.712 -0.715 25834 2442 1 3 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.382 -0.028 25834 2443 1 3 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.052 -1.772 25834 2444 1 3 . 1 1 103 103 TYR H H 103 7.111 7.111 7.534 -0.423 25834 2445 1 3 . 1 1 104 104 VAL N N 104 124.660 124.660 127.048 -2.388 25834 2446 1 3 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.258 0.267 25834 2447 1 3 . 1 1 104 104 VAL C C 104 176.491 176.491 175.742 0.749 25834 2448 1 3 . 1 1 104 104 VAL CA C 104 61.221 61.221 62.782 -1.562 25834 2449 1 3 . 1 1 104 104 VAL CB C 104 31.806 31.806 31.443 0.363 25834 2450 1 3 . 1 1 104 104 VAL H H 104 8.210 8.210 8.624 -0.414 25834 2451 1 3 . 1 1 105 105 LEU N N 105 130.546 130.546 130.045 0.501 25834 2452 1 3 . 1 1 105 105 LEU HA H 105 4.567 4.567 5.010 -0.443 25834 2453 1 3 . 1 1 105 105 LEU C C 105 175.794 175.794 176.372 -0.578 25834 2454 1 3 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.620 -0.762 25834 2455 1 3 . 1 1 105 105 LEU CB C 105 43.199 43.199 43.863 -0.664 25834 2456 1 3 . 1 1 105 105 LEU H H 105 8.217 8.217 8.418 -0.201 25834 2457 1 3 . 1 1 106 106 GLU N N 106 117.285 117.285 118.419 -1.134 25834 2458 1 3 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.680 -0.431 25834 2459 1 3 . 1 1 106 106 GLU C C 106 176.698 176.698 175.193 1.505 25834 2460 1 3 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.148 0.505 25834 2461 1 3 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.485 0.665 25834 2462 1 3 . 1 1 106 106 GLU H H 106 8.219 8.219 8.447 -0.228 25834 2463 1 3 . 1 1 107 107 HIS N N 107 123.685 123.685 123.463 0.222 25834 2464 1 3 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.817 -0.966 25834 2465 1 3 . 1 1 107 107 HIS CA C 107 58.239 58.239 54.624 3.615 25834 2466 1 3 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.108 -1.190 25834 2467 1 3 . 1 1 107 107 HIS H H 107 7.703 7.703 8.499 -0.796 25834 2468 1 3 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.526 -0.386 25834 2469 1 3 . 1 1 108 108 PRO CA C 108 64.650 64.650 63.986 0.664 25834 2470 1 3 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.419 -0.399 25834 2471 1 3 . 1 1 109 109 SER N N 109 114.134 114.134 112.767 1.367 25834 2472 1 3 . 1 1 109 109 SER HA H 109 4.326 4.326 4.726 -0.400 25834 2473 1 3 . 1 1 109 109 SER C C 109 174.553 174.553 174.966 -0.413 25834 2474 1 3 . 1 1 109 109 SER CA C 109 59.214 59.214 58.904 0.311 25834 2475 1 3 . 1 1 109 109 SER CB C 109 64.953 64.953 64.192 0.761 25834 2476 1 3 . 1 1 109 109 SER H H 109 9.035 9.035 7.963 1.072 25834 2477 1 3 . 1 1 110 110 ILE N N 110 128.498 128.498 124.014 4.484 25834 2478 1 3 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.040 0.179 25834 2479 1 3 . 1 1 110 110 ILE C C 110 175.968 175.968 175.539 0.429 25834 2480 1 3 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.058 -2.155 25834 2481 1 3 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.337 -0.599 25834 2482 1 3 . 1 1 110 110 ILE H H 110 8.103 8.103 8.069 0.034 25834 2483 1 3 . 1 1 111 111 SER N N 111 127.509 127.509 123.407 4.102 25834 2484 1 3 . 1 1 111 111 SER HA H 111 4.207 4.207 4.808 -0.601 25834 2485 1 3 . 1 1 111 111 SER C C 111 174.300 174.300 175.605 -1.305 25834 2486 1 3 . 1 1 111 111 SER CA C 111 60.844 60.844 57.163 3.681 25834 2487 1 3 . 1 1 111 111 SER CB C 111 64.891 64.891 65.123 -0.232 25834 2488 1 3 . 1 1 111 111 SER H H 111 11.497 11.497 8.257 3.240 25834 2489 1 3 . 1 1 112 112 SER N N 112 120.261 120.261 115.515 4.746 25834 2490 1 3 . 1 1 112 112 SER HA H 112 4.208 4.208 4.389 -0.181 25834 2491 1 3 . 1 1 112 112 SER C C 112 174.250 174.250 173.459 0.791 25834 2492 1 3 . 1 1 112 112 SER CA C 112 63.258 63.258 61.497 1.761 25834 2493 1 3 . 1 1 112 112 SER CB C 112 62.194 62.194 63.455 -1.261 25834 2494 1 3 . 1 1 112 112 SER H H 112 9.135 9.135 8.744 0.391 25834 2495 1 3 . 1 1 113 113 VAL N N 113 118.006 118.006 111.786 6.220 25834 2496 1 3 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.563 -0.910 25834 2497 1 3 . 1 1 113 113 VAL C C 113 173.570 173.570 174.866 -1.296 25834 2498 1 3 . 1 1 113 113 VAL CA C 113 64.376 64.376 60.760 3.616 25834 2499 1 3 . 1 1 113 113 VAL CB C 113 32.216 32.216 32.300 -0.084 25834 2500 1 3 . 1 1 113 113 VAL H H 113 7.781 7.781 7.502 0.279 25834 2501 1 3 . 1 1 114 114 HIS N N 114 128.080 128.080 125.608 2.472 25834 2502 1 3 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.395 -0.201 25834 2503 1 3 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.748 -1.326 25834 2504 1 3 . 1 1 114 114 HIS CB C 114 36.055 36.055 30.929 5.126 25834 2505 1 3 . 1 1 114 114 HIS H H 114 8.875 8.875 8.775 0.100 25834 2506 1 3 . 1 1 115 115 ALA N N 115 114.264 114.264 114.944 -0.680 25834 2507 1 3 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.867 0.364 25834 2508 1 3 . 1 1 115 115 ALA C C 115 173.729 173.729 174.455 -0.726 25834 2509 1 3 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.313 -0.355 25834 2510 1 3 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.732 1.872 25834 2511 1 3 . 1 1 115 115 ALA H H 115 8.250 8.250 7.696 0.554 25834 2512 1 3 . 1 1 116 116 VAL N N 116 116.683 116.683 119.490 -2.807 25834 2513 1 3 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.865 0.993 25834 2514 1 3 . 1 1 116 116 VAL C C 116 173.135 173.135 173.455 -0.320 25834 2515 1 3 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.495 -1.687 25834 2516 1 3 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.556 0.624 25834 2517 1 3 . 1 1 116 116 VAL H H 116 8.808 8.808 7.766 1.042 25834 2518 1 3 . 1 1 117 117 LEU N N 117 124.933 124.933 126.592 -1.659 25834 2519 1 3 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.308 0.446 25834 2520 1 3 . 1 1 117 117 LEU C C 117 174.233 174.233 175.384 -1.151 25834 2521 1 3 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.918 0.994 25834 2522 1 3 . 1 1 117 117 LEU CB C 117 46.129 46.129 43.483 2.646 25834 2523 1 3 . 1 1 117 117 LEU H H 117 8.799 8.799 8.355 0.444 25834 2524 1 3 . 1 1 118 118 VAL N N 118 123.453 123.453 120.274 3.179 25834 2525 1 3 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.941 0.496 25834 2526 1 3 . 1 1 118 118 VAL C C 118 174.261 174.261 175.459 -1.198 25834 2527 1 3 . 1 1 118 118 VAL CA C 118 59.238 59.238 60.848 -1.610 25834 2528 1 3 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.186 -0.117 25834 2529 1 3 . 1 1 118 118 VAL H H 118 10.009 10.009 8.320 1.689 25834 2530 1 3 . 1 1 119 119 PHE N N 119 132.016 132.016 127.615 4.401 25834 2531 1 3 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.652 0.194 25834 2532 1 3 . 1 1 119 119 PHE C C 119 172.828 172.828 174.697 -1.869 25834 2533 1 3 . 1 1 119 119 PHE CA C 119 60.289 60.289 57.041 3.248 25834 2534 1 3 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.978 -0.338 25834 2535 1 3 . 1 1 119 119 PHE H H 119 9.544 9.544 8.700 0.844 25834 2536 1 3 . 1 1 120 120 HIS N N 120 130.718 130.718 127.490 3.228 25834 2537 1 3 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.871 -1.027 25834 2538 1 3 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.374 -1.546 25834 2539 1 3 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.099 2.177 25834 2540 1 3 . 1 1 120 120 HIS H H 120 8.365 8.365 8.252 0.113 25834 2541 1 3 . 1 1 121 121 GLY N N 121 111.906 111.906 113.932 -2.026 25834 2542 1 3 . 1 1 121 121 GLY C C 121 174.992 174.992 174.386 0.606 25834 2543 1 3 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.756 2.214 25834 2544 1 3 . 1 1 121 121 GLY H H 121 8.150 8.150 8.479 -0.329 25834 2545 1 3 . 1 1 122 122 GLY N N 122 111.156 111.156 108.164 2.992 25834 2546 1 3 . 1 1 122 122 GLY C C 122 175.834 175.834 175.506 0.328 25834 2547 1 3 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.902 0.494 25834 2548 1 3 . 1 1 122 122 GLY H H 122 9.055 9.055 7.858 1.197 25834 2549 1 3 . 1 1 123 123 GLN N N 123 121.769 121.769 119.363 2.406 25834 2550 1 3 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.331 -0.397 25834 2551 1 3 . 1 1 123 123 GLN C C 123 175.649 175.649 176.055 -0.406 25834 2552 1 3 . 1 1 123 123 GLN CA C 123 56.432 56.432 55.428 1.004 25834 2553 1 3 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.559 -0.134 25834 2554 1 3 . 1 1 123 123 GLN H H 123 9.270 9.270 7.809 1.461 25834 2555 1 3 . 1 1 124 124 ARG N N 124 115.831 115.831 115.051 0.780 25834 2556 1 3 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.070 -0.604 25834 2557 1 3 . 1 1 124 124 ARG C C 124 173.830 173.830 174.535 -0.705 25834 2558 1 3 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.690 -0.499 25834 2559 1 3 . 1 1 124 124 ARG CB C 124 26.627 26.627 26.916 -0.289 25834 2560 1 3 . 1 1 124 124 ARG H H 124 8.141 8.141 8.228 -0.087 25834 2561 1 3 . 1 1 125 125 CYS N N 125 111.895 111.895 115.861 -3.966 25834 2562 1 3 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.748 -0.258 25834 2563 1 3 . 1 1 125 125 CYS C C 125 172.037 172.037 174.233 -2.196 25834 2564 1 3 . 1 1 125 125 CYS CA C 125 55.647 55.647 56.790 -1.143 25834 2565 1 3 . 1 1 125 125 CYS CB C 125 30.488 30.488 31.171 -0.683 25834 2566 1 3 . 1 1 125 125 CYS H H 125 6.808 6.808 7.500 -0.692 25834 2567 1 3 . 1 1 126 126 PHE N N 126 119.776 119.776 123.397 -3.621 25834 2568 1 3 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.745 0.060 25834 2569 1 3 . 1 1 126 126 PHE C C 126 175.431 175.431 175.589 -0.158 25834 2570 1 3 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.942 0.783 25834 2571 1 3 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.540 0.972 25834 2572 1 3 . 1 1 126 126 PHE H H 126 9.599 9.599 9.310 0.289 25834 2573 1 3 . 1 1 127 127 VAL N N 127 119.700 119.700 124.151 -4.451 25834 2574 1 3 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.328 0.297 25834 2575 1 3 . 1 1 127 127 VAL C C 127 173.499 173.499 174.758 -1.259 25834 2576 1 3 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.558 -1.057 25834 2577 1 3 . 1 1 127 127 VAL CB C 127 34.354 34.354 32.975 1.379 25834 2578 1 3 . 1 1 127 127 VAL H H 127 9.594 9.594 8.756 0.838 25834 2579 1 3 . 1 1 128 128 LEU N N 128 129.107 129.107 130.547 -1.440 25834 2580 1 3 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.234 0.183 25834 2581 1 3 . 1 1 128 128 LEU C C 128 175.310 175.310 175.365 -0.055 25834 2582 1 3 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.316 -0.327 25834 2583 1 3 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.266 2.269 25834 2584 1 3 . 1 1 128 128 LEU H H 128 9.545 9.545 8.328 1.217 25834 2585 1 3 . 1 1 129 129 MET N N 129 119.581 119.581 126.507 -6.926 25834 2586 1 3 . 1 1 129 129 MET HA H 129 4.792 4.792 5.086 -0.294 25834 2587 1 3 . 1 1 129 129 MET C C 129 174.562 174.562 174.880 -0.318 25834 2588 1 3 . 1 1 129 129 MET CA C 129 54.980 54.980 54.412 0.568 25834 2589 1 3 . 1 1 129 129 MET CB C 129 38.129 38.129 36.050 2.079 25834 2590 1 3 . 1 1 129 129 MET H H 129 8.724 8.724 8.052 0.672 25834 2591 1 3 . 1 1 130 130 ASP N N 130 124.566 124.566 123.713 0.853 25834 2592 1 3 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.111 -0.439 25834 2593 1 3 . 1 1 130 130 ASP C C 130 178.291 178.291 177.707 0.584 25834 2594 1 3 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.525 0.241 25834 2595 1 3 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.400 0.663 25834 2596 1 3 . 1 1 130 130 ASP H H 130 9.500 9.500 8.876 0.624 25834 2597 1 3 . 1 1 131 131 LEU N N 131 129.917 129.917 119.735 10.182 25834 2598 1 3 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.256 0.171 25834 2599 1 3 . 1 1 131 131 LEU C C 131 176.172 176.172 177.376 -1.204 25834 2600 1 3 . 1 1 131 131 LEU CA C 131 54.227 54.227 56.401 -2.175 25834 2601 1 3 . 1 1 131 131 LEU CB C 131 39.713 39.713 42.184 -2.471 25834 2602 1 3 . 1 1 131 131 LEU H H 131 8.182 8.182 7.815 0.367 25834 2603 1 3 . 1 1 132 132 GLY N N 132 107.323 107.323 105.460 1.863 25834 2604 1 3 . 1 1 132 132 GLY C C 132 174.507 174.507 174.333 0.174 25834 2605 1 3 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.385 1.886 25834 2606 1 3 . 1 1 132 132 GLY H H 132 8.233 8.233 8.058 0.175 25834 2607 1 3 . 1 1 133 133 SER N N 133 119.398 119.398 114.529 4.869 25834 2608 1 3 . 1 1 133 133 SER HA H 133 4.091 4.091 4.295 -0.204 25834 2609 1 3 . 1 1 133 133 SER C C 133 175.194 175.194 175.439 -0.245 25834 2610 1 3 . 1 1 133 133 SER CA C 133 59.003 59.003 58.682 0.321 25834 2611 1 3 . 1 1 133 133 SER CB C 133 62.766 62.766 63.641 -0.875 25834 2612 1 3 . 1 1 133 133 SER H H 133 9.111 9.111 8.030 1.081 25834 2613 1 3 . 1 1 134 134 THR N N 134 117.002 117.002 118.960 -1.958 25834 2614 1 3 . 1 1 134 134 THR HA H 134 3.917 3.917 4.294 -0.377 25834 2615 1 3 . 1 1 134 134 THR C C 134 176.542 176.542 175.302 1.240 25834 2616 1 3 . 1 1 134 134 THR CA C 134 66.444 66.444 63.414 3.030 25834 2617 1 3 . 1 1 134 134 THR CB C 134 68.876 68.876 68.875 0.001 25834 2618 1 3 . 1 1 134 134 THR H H 134 7.136 7.136 8.656 -1.520 25834 2619 1 3 . 1 1 135 135 ASN N N 135 114.018 114.018 119.802 -5.784 25834 2620 1 3 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.665 0.229 25834 2621 1 3 . 1 1 135 135 ASN C C 135 175.875 175.875 174.646 1.229 25834 2622 1 3 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.157 -0.478 25834 2623 1 3 . 1 1 135 135 ASN CB C 135 39.207 39.207 39.391 -0.184 25834 2624 1 3 . 1 1 135 135 ASN H H 135 9.243 9.243 8.307 0.936 25834 2625 1 3 . 1 1 136 136 GLY N N 136 106.575 106.575 106.783 -0.208 25834 2626 1 3 . 1 1 136 136 GLY C C 136 174.404 174.404 173.032 1.372 25834 2627 1 3 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.473 1.539 25834 2628 1 3 . 1 1 136 136 GLY H H 136 7.533 7.533 7.954 -0.421 25834 2629 1 3 . 1 1 137 137 VAL N N 137 123.037 123.037 121.455 1.582 25834 2630 1 3 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.278 0.276 25834 2631 1 3 . 1 1 137 137 VAL C C 137 173.367 173.367 174.981 -1.614 25834 2632 1 3 . 1 1 137 137 VAL CA C 137 61.221 61.221 61.729 -0.508 25834 2633 1 3 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.200 2.991 25834 2634 1 3 . 1 1 137 137 VAL H H 137 9.270 9.270 8.437 0.833 25834 2635 1 3 . 1 1 138 138 LYS N N 138 123.932 123.932 123.224 0.708 25834 2636 1 3 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.679 0.229 25834 2637 1 3 . 1 1 138 138 LYS C C 138 174.454 174.454 174.591 -0.137 25834 2638 1 3 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.011 -0.491 25834 2639 1 3 . 1 1 138 138 LYS CB C 138 35.859 35.859 35.096 0.763 25834 2640 1 3 . 1 1 138 138 LYS H H 138 8.779 8.779 8.218 0.561 25834 2641 1 3 . 1 1 139 139 LEU N N 139 124.937 124.937 124.380 0.557 25834 2642 1 3 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.744 0.291 25834 2643 1 3 . 1 1 139 139 LEU C C 139 176.335 176.335 176.171 0.164 25834 2644 1 3 . 1 1 139 139 LEU CA C 139 52.721 52.721 54.109 -1.389 25834 2645 1 3 . 1 1 139 139 LEU CB C 139 45.127 45.127 45.253 -0.126 25834 2646 1 3 . 1 1 139 139 LEU H H 139 8.528 8.528 8.859 -0.331 25834 2647 1 3 . 1 1 140 140 ASN N N 140 128.375 128.375 123.507 4.868 25834 2648 1 3 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.591 -0.195 25834 2649 1 3 . 1 1 140 140 ASN C C 140 175.256 175.256 174.898 0.358 25834 2650 1 3 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.525 -0.113 25834 2651 1 3 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.685 -0.806 25834 2652 1 3 . 1 1 140 140 ASN H H 140 10.056 10.056 9.191 0.865 25834 2653 1 3 . 1 1 141 141 GLY N N 141 101.602 101.602 104.184 -2.582 25834 2654 1 3 . 1 1 141 141 GLY C C 141 173.265 173.265 173.164 0.101 25834 2655 1 3 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.109 -0.137 25834 2656 1 3 . 1 1 141 141 GLY H H 141 8.811 8.811 8.544 0.267 25834 2657 1 3 . 1 1 142 142 ASN N N 142 118.060 118.060 118.395 -0.335 25834 2658 1 3 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.833 0.175 25834 2659 1 3 . 1 1 142 142 ASN C C 142 174.106 174.106 174.145 -0.039 25834 2660 1 3 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.297 -0.701 25834 2661 1 3 . 1 1 142 142 ASN CB C 142 41.038 41.038 40.570 0.468 25834 2662 1 3 . 1 1 142 142 ASN H H 142 7.512 7.512 8.142 -0.630 25834 2663 1 3 . 1 1 143 143 ARG N N 143 125.882 125.882 125.518 0.364 25834 2664 1 3 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.374 0.247 25834 2665 1 3 . 1 1 143 143 ARG C C 143 177.077 177.077 175.942 1.135 25834 2666 1 3 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.664 -0.725 25834 2667 1 3 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.483 -0.696 25834 2668 1 3 . 1 1 143 143 ARG H H 143 8.975 8.975 8.708 0.267 25834 2669 1 3 . 1 1 144 144 ILE N N 144 124.442 124.442 120.512 3.930 25834 2670 1 3 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.554 0.017 25834 2671 1 3 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.332 2.463 25834 2672 1 3 . 1 1 144 144 ILE CB C 144 39.273 39.273 40.332 -1.059 25834 2673 1 3 . 1 1 144 144 ILE H H 144 6.907 6.907 8.078 -1.171 25834 2674 1 3 . 1 1 145 145 GLU N N 145 122.815 122.815 121.099 1.716 25834 2675 1 3 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.235 -0.031 25834 2676 1 3 . 1 1 145 145 GLU C C 145 176.123 176.123 175.673 0.450 25834 2677 1 3 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.535 -1.200 25834 2678 1 3 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.282 0.310 25834 2679 1 3 . 1 1 145 145 GLU H H 145 8.628 8.628 8.570 0.058 25834 2680 1 3 . 1 1 146 146 LYS N N 146 122.367 122.367 115.374 6.993 25834 2681 1 3 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.976 -0.860 25834 2682 1 3 . 1 1 146 146 LYS C C 146 175.811 175.811 176.267 -0.456 25834 2683 1 3 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.141 3.814 25834 2684 1 3 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.531 -0.969 25834 2685 1 3 . 1 1 146 146 LYS H H 146 8.755 8.755 7.971 0.784 25834 2686 1 3 . 1 1 147 147 ARG N N 147 115.303 115.303 118.332 -3.029 25834 2687 1 3 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.079 -0.422 25834 2688 1 3 . 1 1 147 147 ARG C C 147 174.121 174.121 175.214 -1.093 25834 2689 1 3 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.596 0.876 25834 2690 1 3 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.453 -1.060 25834 2691 1 3 . 1 1 147 147 ARG H H 147 9.124 9.124 8.171 0.953 25834 2692 1 3 . 1 1 148 148 ARG N N 148 118.994 118.994 117.115 1.879 25834 2693 1 3 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.724 0.238 25834 2694 1 3 . 1 1 148 148 ARG C C 148 173.769 173.769 173.620 0.149 25834 2695 1 3 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.659 -0.173 25834 2696 1 3 . 1 1 148 148 ARG CB C 148 32.396 32.396 33.489 -1.093 25834 2697 1 3 . 1 1 148 148 ARG H H 148 8.133 8.133 7.732 0.401 25834 2698 1 3 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.499 0.139 25834 2699 1 3 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.297 -0.657 25834 2700 1 3 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.489 0.311 25834 2701 1 3 . 1 1 150 150 LEU N N 150 129.239 129.239 125.837 3.402 25834 2702 1 3 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.819 0.157 25834 2703 1 3 . 1 1 150 150 LEU C C 150 173.433 173.433 175.430 -1.997 25834 2704 1 3 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.616 -0.261 25834 2705 1 3 . 1 1 150 150 LEU CB C 150 44.253 44.253 41.835 2.418 25834 2706 1 3 . 1 1 150 150 LEU H H 150 8.850 8.850 7.965 0.885 25834 2707 1 3 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.735 -0.404 25834 2708 1 3 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.183 2.018 25834 2709 1 3 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.994 0.679 25834 2710 1 3 . 1 1 152 152 ALA N N 152 123.538 123.538 126.568 -3.030 25834 2711 1 3 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.849 0.034 25834 2712 1 3 . 1 1 152 152 ALA C C 152 172.551 172.551 175.224 -2.673 25834 2713 1 3 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.247 -1.130 25834 2714 1 3 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.277 -1.175 25834 2715 1 3 . 1 1 152 152 ALA H H 152 8.741 8.741 8.410 0.331 25834 2716 1 3 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.512 0.125 25834 2717 1 3 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.209 -0.129 25834 2718 1 3 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.863 0.467 25834 2719 1 3 . 1 1 154 154 VAL N N 154 121.024 121.024 116.381 4.643 25834 2720 1 3 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.568 -0.244 25834 2721 1 3 . 1 1 154 154 VAL C C 154 176.371 176.371 176.993 -0.622 25834 2722 1 3 . 1 1 154 154 VAL CA C 154 65.636 65.636 64.049 1.587 25834 2723 1 3 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.830 -0.317 25834 2724 1 3 . 1 1 154 154 VAL H H 154 8.653 8.653 8.298 0.355 25834 2725 1 3 . 1 1 155 155 GLY N N 155 116.464 116.464 112.727 3.737 25834 2726 1 3 . 1 1 155 155 GLY C C 155 174.707 174.707 173.993 0.714 25834 2727 1 3 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.226 -0.917 25834 2728 1 3 . 1 1 155 155 GLY H H 155 9.242 9.242 8.632 0.610 25834 2729 1 3 . 1 1 156 156 SER N N 156 117.176 117.176 114.793 2.383 25834 2730 1 3 . 1 1 156 156 SER HA H 156 4.684 4.684 4.654 0.030 25834 2731 1 3 . 1 1 156 156 SER C C 156 172.437 172.437 173.134 -0.697 25834 2732 1 3 . 1 1 156 156 SER CA C 156 60.271 60.271 56.359 3.912 25834 2733 1 3 . 1 1 156 156 SER CB C 156 64.119 64.119 65.789 -1.670 25834 2734 1 3 . 1 1 156 156 SER H H 156 8.166 8.166 7.728 0.438 25834 2735 1 3 . 1 1 157 157 SER N N 157 117.025 117.025 115.208 1.817 25834 2736 1 3 . 1 1 157 157 SER HA H 157 5.334 5.334 5.332 0.002 25834 2737 1 3 . 1 1 157 157 SER C C 157 173.729 173.729 172.966 0.763 25834 2738 1 3 . 1 1 157 157 SER CA C 157 56.737 56.737 57.014 -0.277 25834 2739 1 3 . 1 1 157 157 SER CB C 157 65.445 65.445 66.837 -1.392 25834 2740 1 3 . 1 1 157 157 SER H H 157 8.371 8.371 8.209 0.162 25834 2741 1 3 . 1 1 158 158 ILE N N 158 126.089 126.089 118.824 7.265 25834 2742 1 3 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.462 0.357 25834 2743 1 3 . 1 1 158 158 ILE C C 158 174.471 174.471 174.127 0.344 25834 2744 1 3 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.410 -0.361 25834 2745 1 3 . 1 1 158 158 ILE CB C 158 42.434 42.434 42.123 0.311 25834 2746 1 3 . 1 1 158 158 ILE H H 158 9.601 9.601 8.480 1.121 25834 2747 1 3 . 1 1 159 159 GLN N N 159 123.323 123.323 121.107 2.216 25834 2748 1 3 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.871 -0.309 25834 2749 1 3 . 1 1 159 159 GLN C C 159 174.219 174.219 174.139 0.080 25834 2750 1 3 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.581 0.523 25834 2751 1 3 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.064 0.563 25834 2752 1 3 . 1 1 159 159 GLN H H 159 8.290 8.290 8.367 -0.077 25834 2753 1 3 . 1 1 160 160 PHE N N 160 124.084 124.084 119.725 4.359 25834 2754 1 3 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.864 -0.300 25834 2755 1 3 . 1 1 160 160 PHE C C 160 174.368 174.368 174.185 0.183 25834 2756 1 3 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.241 0.174 25834 2757 1 3 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.436 -0.759 25834 2758 1 3 . 1 1 160 160 PHE H H 160 9.622 9.622 8.633 0.989 25834 2759 1 3 . 1 1 161 161 GLY N N 161 108.516 108.516 113.134 -4.618 25834 2760 1 3 . 1 1 161 161 GLY C C 161 173.064 173.064 173.179 -0.115 25834 2761 1 3 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.273 0.899 25834 2762 1 3 . 1 1 161 161 GLY H H 161 8.409 8.409 7.817 0.592 25834 2763 1 3 . 1 1 162 162 PHE N N 162 123.240 123.240 121.583 1.657 25834 2764 1 3 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.665 0.276 25834 2765 1 3 . 1 1 162 162 PHE C C 162 175.982 175.982 175.310 0.672 25834 2766 1 3 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.897 -2.836 25834 2767 1 3 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.212 -1.121 25834 2768 1 3 . 1 1 162 162 PHE H H 162 8.848 8.848 8.046 0.802 25834 2769 1 3 . 1 1 163 163 SER N N 163 113.673 113.673 114.357 -0.684 25834 2770 1 3 . 1 1 163 163 SER HA H 163 4.001 4.001 3.661 0.340 25834 2771 1 3 . 1 1 163 163 SER C C 163 176.303 176.303 174.635 1.668 25834 2772 1 3 . 1 1 163 163 SER CA C 163 58.004 58.004 57.680 0.324 25834 2773 1 3 . 1 1 163 163 SER CB C 163 62.297 62.297 63.870 -1.573 25834 2774 1 3 . 1 1 163 163 SER H H 163 7.071 7.071 6.757 0.314 25834 2775 1 3 . 1 1 164 164 SER N N 164 126.213 126.213 115.774 10.439 25834 2776 1 3 . 1 1 164 164 SER HA H 164 4.188 4.188 4.280 -0.092 25834 2777 1 3 . 1 1 164 164 SER C C 164 174.499 174.499 175.071 -0.572 25834 2778 1 3 . 1 1 164 164 SER CA C 164 59.606 59.606 59.633 -0.027 25834 2779 1 3 . 1 1 164 164 SER CB C 164 63.841 63.841 63.834 0.007 25834 2780 1 3 . 1 1 164 164 SER H H 164 9.901 9.901 8.628 1.273 25834 2781 1 3 . 1 1 165 165 ARG N N 165 122.909 122.909 120.361 2.548 25834 2782 1 3 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.251 -0.031 25834 2783 1 3 . 1 1 165 165 ARG C C 165 175.560 175.560 175.459 0.101 25834 2784 1 3 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.589 0.861 25834 2785 1 3 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.421 0.570 25834 2786 1 3 . 1 1 165 165 ARG H H 165 8.096 8.096 7.673 0.423 25834 2787 1 3 . 1 1 166 166 VAL N N 166 123.934 123.934 119.704 4.230 25834 2788 1 3 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.070 0.088 25834 2789 1 3 . 1 1 166 166 VAL C C 166 174.398 174.398 174.240 0.158 25834 2790 1 3 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.515 1.528 25834 2791 1 3 . 1 1 166 166 VAL CB C 166 33.399 33.399 34.759 -1.360 25834 2792 1 3 . 1 1 166 166 VAL H H 166 8.756 8.756 7.743 1.013 25834 2793 1 3 . 1 1 167 167 TYR N N 167 126.353 126.353 125.347 1.006 25834 2794 1 3 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.103 0.099 25834 2795 1 3 . 1 1 167 167 TYR C C 167 174.823 174.823 175.255 -0.432 25834 2796 1 3 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.337 -0.434 25834 2797 1 3 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.498 1.358 25834 2798 1 3 . 1 1 167 167 TYR H H 167 8.637 8.637 8.063 0.574 25834 2799 1 3 . 1 1 168 168 LYS N N 168 123.312 123.312 125.615 -2.303 25834 2800 1 3 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.841 0.645 25834 2801 1 3 . 1 1 168 168 LYS C C 168 176.634 176.634 175.410 1.224 25834 2802 1 3 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.542 -0.631 25834 2803 1 3 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.914 1.988 25834 2804 1 3 . 1 1 168 168 LYS H H 168 9.005 9.005 8.855 0.150 25834 2805 1 3 . 1 1 169 169 VAL N N 169 125.863 125.863 125.918 -0.055 25834 2806 1 3 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.086 -0.268 25834 2807 1 3 . 1 1 169 169 VAL C C 169 175.804 175.804 175.363 0.441 25834 2808 1 3 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.669 1.186 25834 2809 1 3 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.554 -1.617 25834 2810 1 3 . 1 1 169 169 VAL H H 169 8.305 8.305 8.187 0.118 25834 2811 1 3 . 1 1 170 170 GLN N N 170 129.871 129.871 123.176 6.695 25834 2812 1 3 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.531 0.336 25834 2813 1 3 . 1 1 170 170 GLN C C 170 174.293 174.293 172.996 1.297 25834 2814 1 3 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.209 -1.391 25834 2815 1 3 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.300 -0.619 25834 2816 1 3 . 1 1 170 170 GLN H H 170 9.124 9.124 7.996 1.128 25834 2817 1 3 . 1 1 171 171 LEU N N 171 122.168 122.168 124.418 -2.250 25834 2818 1 3 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.543 -0.051 25834 2819 1 3 . 1 1 171 171 LEU C C 171 177.672 177.672 176.429 1.243 25834 2820 1 3 . 1 1 171 171 LEU CA C 171 55.951 55.951 54.193 1.758 25834 2821 1 3 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.842 0.181 25834 2822 1 3 . 1 1 171 171 LEU H H 171 8.569 8.569 8.334 0.235 25834 2823 1 3 . 1 1 172 172 GLY N N 172 111.174 111.174 112.916 -1.742 25834 2824 1 3 . 1 1 172 172 GLY C C 172 171.895 171.895 173.321 -1.426 25834 2825 1 3 . 1 1 172 172 GLY CA C 172 44.179 44.179 43.962 0.217 25834 2826 1 3 . 1 1 172 172 GLY H H 172 8.588 8.588 8.166 0.422 25834 2827 1 3 . 1 1 175 175 SER N N 175 115.756 115.756 115.610 0.146 25834 2828 1 3 . 1 1 175 175 SER HA H 175 4.274 4.274 4.433 -0.159 25834 2829 1 3 . 1 1 175 175 SER C C 175 174.314 174.314 175.353 -1.039 25834 2830 1 3 . 1 1 175 175 SER CA C 175 57.998 57.998 58.481 -0.483 25834 2831 1 3 . 1 1 175 175 SER CB C 175 63.886 63.886 63.494 0.392 25834 2832 1 3 . 1 1 175 175 SER H H 175 7.661 7.661 8.412 -0.751 25834 2833 1 3 . 1 1 176 176 SER N N 176 117.882 117.882 116.243 1.639 25834 2834 1 3 . 1 1 176 176 SER HA H 176 4.698 4.698 4.695 0.003 25834 2835 1 3 . 1 1 176 176 SER C C 176 173.521 173.521 173.730 -0.209 25834 2836 1 3 . 1 1 176 176 SER CA C 176 58.601 58.601 57.516 1.085 25834 2837 1 3 . 1 1 176 176 SER CB C 176 64.242 64.242 64.336 -0.094 25834 2838 1 3 . 1 1 176 176 SER H H 176 8.265 8.265 7.873 0.392 25834 2839 1 4 . 1 1 1 1 MET N N 1 121.215 121.215 119.297 1.918 25834 2840 1 4 . 1 1 1 1 MET HA H 1 4.416 4.416 4.659 -0.243 25834 2841 1 4 . 1 1 1 1 MET C C 1 176.061 176.061 175.893 0.168 25834 2842 1 4 . 1 1 1 1 MET CA C 1 55.827 55.827 54.417 1.410 25834 2843 1 4 . 1 1 1 1 MET CB C 1 32.869 32.869 34.438 -1.569 25834 2844 1 4 . 1 1 1 1 MET H H 1 8.477 8.477 8.203 0.274 25834 2845 1 4 . 1 1 2 2 VAL N N 2 122.483 122.483 120.249 2.234 25834 2846 1 4 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.191 -0.024 25834 2847 1 4 . 1 1 2 2 VAL C C 2 176.225 176.225 174.894 1.331 25834 2848 1 4 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.817 -0.661 25834 2849 1 4 . 1 1 2 2 VAL CB C 2 32.855 32.855 31.938 0.917 25834 2850 1 4 . 1 1 2 2 VAL H H 2 8.213 8.213 8.391 -0.178 25834 2851 1 4 . 1 1 3 3 THR N N 3 117.952 117.952 119.333 -1.381 25834 2852 1 4 . 1 1 3 3 THR HA H 3 4.353 4.353 4.736 -0.383 25834 2853 1 4 . 1 1 3 3 THR C C 3 174.614 174.614 173.151 1.463 25834 2854 1 4 . 1 1 3 3 THR CA C 3 61.571 61.571 61.996 -0.425 25834 2855 1 4 . 1 1 3 3 THR CB C 3 69.948 69.948 70.199 -0.251 25834 2856 1 4 . 1 1 3 3 THR H H 3 8.228 8.228 8.302 -0.074 25834 2857 1 4 . 1 1 4 4 SER N N 4 118.076 118.076 118.704 -0.628 25834 2858 1 4 . 1 1 4 4 SER HA H 4 4.490 4.490 4.884 -0.394 25834 2859 1 4 . 1 1 4 4 SER C C 4 174.867 174.867 174.610 0.257 25834 2860 1 4 . 1 1 4 4 SER CA C 4 58.451 58.451 57.875 0.576 25834 2861 1 4 . 1 1 4 4 SER CB C 4 63.853 63.853 64.022 -0.169 25834 2862 1 4 . 1 1 4 4 SER H H 4 8.350 8.350 8.230 0.120 25834 2863 1 4 . 1 1 5 5 THR N N 5 115.176 115.176 114.766 0.410 25834 2864 1 4 . 1 1 5 5 THR HA H 5 4.277 4.277 4.424 -0.147 25834 2865 1 4 . 1 1 5 5 THR C C 5 175.173 175.173 175.712 -0.539 25834 2866 1 4 . 1 1 5 5 THR CA C 5 62.114 62.114 62.139 -0.025 25834 2867 1 4 . 1 1 5 5 THR CB C 5 69.702 69.702 69.195 0.507 25834 2868 1 4 . 1 1 5 5 THR H H 5 8.125 8.125 8.416 -0.291 25834 2869 1 4 . 1 1 6 6 GLY N N 6 110.725 110.725 112.630 -1.905 25834 2870 1 4 . 1 1 6 6 GLY C C 6 173.939 173.939 174.779 -0.840 25834 2871 1 4 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.189 0.064 25834 2872 1 4 . 1 1 6 6 GLY H H 6 8.289 8.289 7.993 0.296 25834 2873 1 4 . 1 1 7 7 LEU N N 7 121.627 121.627 120.451 1.176 25834 2874 1 4 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.060 0.186 25834 2875 1 4 . 1 1 7 7 LEU C C 7 177.317 177.317 176.863 0.454 25834 2876 1 4 . 1 1 7 7 LEU CA C 7 55.509 55.509 55.843 -0.334 25834 2877 1 4 . 1 1 7 7 LEU CB C 7 42.507 42.507 42.262 0.245 25834 2878 1 4 . 1 1 7 7 LEU H H 7 7.984 7.984 7.857 0.127 25834 2879 1 4 . 1 1 8 8 LEU N N 8 122.317 122.317 124.548 -2.231 25834 2880 1 4 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.709 -0.405 25834 2881 1 4 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.107 1.182 25834 2882 1 4 . 1 1 8 8 LEU CB C 8 42.314 42.314 44.038 -1.724 25834 2883 1 4 . 1 1 8 8 LEU H H 8 8.163 8.163 8.098 0.064 25834 2884 1 4 . 1 1 9 9 SER N N 9 116.218 116.218 117.602 -1.384 25834 2885 1 4 . 1 1 9 9 SER HA H 9 4.315 4.315 4.444 -0.129 25834 2886 1 4 . 1 1 9 9 SER CA C 9 58.253 58.253 58.675 -0.423 25834 2887 1 4 . 1 1 9 9 SER CB C 9 63.786 63.786 64.033 -0.247 25834 2888 1 4 . 1 1 9 9 SER H H 9 8.088 8.088 8.327 -0.239 25834 2889 1 4 . 1 1 10 10 ARG N N 10 122.939 122.939 122.403 0.536 25834 2890 1 4 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.636 -0.331 25834 2891 1 4 . 1 1 10 10 ARG C C 10 177.734 177.734 175.083 2.651 25834 2892 1 4 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.667 0.622 25834 2893 1 4 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.872 -1.281 25834 2894 1 4 . 1 1 10 10 ARG H H 10 8.211 8.211 8.316 -0.105 25834 2895 1 4 . 1 1 11 11 VAL N N 11 120.980 120.980 122.061 -1.081 25834 2896 1 4 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.318 -0.313 25834 2897 1 4 . 1 1 11 11 VAL C C 11 175.793 175.793 175.893 -0.100 25834 2898 1 4 . 1 1 11 11 VAL CA C 11 62.353 62.353 61.384 0.969 25834 2899 1 4 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.797 -1.129 25834 2900 1 4 . 1 1 11 11 VAL H H 11 8.006 8.006 8.359 -0.353 25834 2901 1 4 . 1 1 12 12 ALA N N 12 127.736 127.736 127.686 0.050 25834 2902 1 4 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.443 -0.211 25834 2903 1 4 . 1 1 12 12 ALA C C 12 177.174 177.174 176.908 0.266 25834 2904 1 4 . 1 1 12 12 ALA CA C 12 52.429 52.429 51.855 0.574 25834 2905 1 4 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.497 -0.270 25834 2906 1 4 . 1 1 12 12 ALA H H 12 8.246 8.246 8.303 -0.057 25834 2907 1 4 . 1 1 13 13 ALA N N 13 123.061 123.061 124.238 -1.177 25834 2908 1 4 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.559 -0.322 25834 2909 1 4 . 1 1 13 13 ALA C C 13 177.800 177.800 176.878 0.922 25834 2910 1 4 . 1 1 13 13 ALA CA C 13 52.445 52.445 50.797 1.648 25834 2911 1 4 . 1 1 13 13 ALA CB C 13 19.115 19.115 19.626 -0.511 25834 2912 1 4 . 1 1 13 13 ALA H H 13 8.158 8.158 8.358 -0.200 25834 2913 1 4 . 1 1 14 14 VAL N N 14 119.391 119.391 121.865 -2.474 25834 2914 1 4 . 1 1 14 14 VAL HA H 14 4.000 4.000 3.942 0.058 25834 2915 1 4 . 1 1 14 14 VAL C C 14 176.284 176.284 175.641 0.643 25834 2916 1 4 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.933 -0.596 25834 2917 1 4 . 1 1 14 14 VAL CB C 14 32.739 32.739 31.218 1.521 25834 2918 1 4 . 1 1 14 14 VAL H H 14 7.988 7.988 8.446 -0.458 25834 2919 1 4 . 1 1 15 15 GLU N N 15 124.744 124.744 127.886 -3.142 25834 2920 1 4 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.602 -0.402 25834 2921 1 4 . 1 1 15 15 GLU C C 15 176.542 176.542 175.619 0.923 25834 2922 1 4 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.643 0.898 25834 2923 1 4 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.353 0.175 25834 2924 1 4 . 1 1 15 15 GLU H H 15 8.369 8.369 8.542 -0.173 25834 2925 1 4 . 1 1 16 16 LYS N N 16 122.786 122.786 122.194 0.592 25834 2926 1 4 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.649 -0.452 25834 2927 1 4 . 1 1 16 16 LYS C C 16 176.218 176.218 175.142 1.076 25834 2928 1 4 . 1 1 16 16 LYS CA C 16 56.253 56.253 56.228 0.025 25834 2929 1 4 . 1 1 16 16 LYS CB C 16 32.898 32.898 34.132 -1.234 25834 2930 1 4 . 1 1 16 16 LYS H H 16 8.264 8.264 8.544 -0.280 25834 2931 1 4 . 1 1 17 17 ALA N N 17 125.458 125.458 123.374 2.084 25834 2932 1 4 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.755 -0.571 25834 2933 1 4 . 1 1 17 17 ALA C C 17 177.579 177.579 175.637 1.942 25834 2934 1 4 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.516 1.000 25834 2935 1 4 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.262 -1.157 25834 2936 1 4 . 1 1 17 17 ALA H H 17 8.226 8.226 8.313 -0.087 25834 2937 1 4 . 1 1 18 18 ALA N N 18 123.616 123.616 122.255 1.361 25834 2938 1 4 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.688 -0.464 25834 2939 1 4 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.577 0.943 25834 2940 1 4 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.180 -1.053 25834 2941 1 4 . 1 1 18 18 ALA H H 18 8.153 8.153 8.247 -0.094 25834 2942 1 4 . 1 1 19 19 GLU N N 19 120.282 120.282 121.185 -0.903 25834 2943 1 4 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.456 -0.257 25834 2944 1 4 . 1 1 19 19 GLU CA C 19 56.370 56.370 55.788 0.583 25834 2945 1 4 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.427 0.210 25834 2946 1 4 . 1 1 19 19 GLU H H 19 8.209 8.209 8.519 -0.310 25834 2947 1 4 . 1 1 20 20 ILE N N 20 122.046 122.046 125.114 -3.068 25834 2948 1 4 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.062 -0.002 25834 2949 1 4 . 1 1 20 20 ILE C C 20 175.806 175.806 176.825 -1.019 25834 2950 1 4 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.541 -0.562 25834 2951 1 4 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.443 0.247 25834 2952 1 4 . 1 1 20 20 ILE H H 20 8.038 8.038 8.549 -0.511 25834 2953 1 4 . 1 1 21 21 ALA N N 21 128.175 128.175 130.349 -2.174 25834 2954 1 4 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.331 -0.146 25834 2955 1 4 . 1 1 21 21 ALA C C 21 175.942 175.942 177.001 -1.059 25834 2956 1 4 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.918 0.529 25834 2957 1 4 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.522 -0.225 25834 2958 1 4 . 1 1 21 21 ALA H H 21 8.224 8.224 8.158 0.066 25834 2959 1 4 . 1 1 22 22 LYS N N 22 120.107 120.107 119.939 0.168 25834 2960 1 4 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.672 -0.445 25834 2961 1 4 . 1 1 22 22 LYS C C 22 174.303 174.303 174.573 -0.270 25834 2962 1 4 . 1 1 22 22 LYS CA C 22 53.397 53.397 54.569 -1.172 25834 2963 1 4 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.045 2.414 25834 2964 1 4 . 1 1 22 22 LYS H H 22 7.903 7.903 8.425 -0.522 25834 2965 1 4 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.462 -0.119 25834 2966 1 4 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.692 0.001 25834 2967 1 4 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.386 -0.326 25834 2968 1 4 . 1 1 27 27 LYS N N 27 121.752 121.752 119.264 2.488 25834 2969 1 4 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.500 -0.286 25834 2970 1 4 . 1 1 27 27 LYS C C 27 176.450 176.450 175.963 0.487 25834 2971 1 4 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.720 0.489 25834 2972 1 4 . 1 1 27 27 LYS CB C 27 32.935 32.935 32.520 0.415 25834 2973 1 4 . 1 1 27 27 LYS H H 27 8.253 8.253 8.234 0.019 25834 2974 1 4 . 1 1 28 28 VAL N N 28 123.000 123.000 119.218 3.782 25834 2975 1 4 . 1 1 28 28 VAL HA H 28 4.004 4.004 4.461 -0.457 25834 2976 1 4 . 1 1 28 28 VAL C C 28 175.672 175.672 175.247 0.425 25834 2977 1 4 . 1 1 28 28 VAL CA C 28 62.268 62.268 60.433 1.835 25834 2978 1 4 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.839 0.043 25834 2979 1 4 . 1 1 28 28 VAL H H 28 8.128 8.128 8.024 0.104 25834 2980 1 4 . 1 1 29 29 VAL N N 29 126.899 126.899 122.240 4.659 25834 2981 1 4 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.060 -0.189 25834 2982 1 4 . 1 1 29 29 VAL C C 29 174.835 174.835 175.307 -0.472 25834 2983 1 4 . 1 1 29 29 VAL CA C 29 62.288 62.288 63.876 -1.588 25834 2984 1 4 . 1 1 29 29 VAL CB C 29 32.811 32.811 32.116 0.695 25834 2985 1 4 . 1 1 29 29 VAL H H 29 8.144 8.144 9.016 -0.872 25834 2986 1 4 . 1 1 30 30 GLU N N 30 125.745 125.745 126.541 -0.796 25834 2987 1 4 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.513 -0.326 25834 2988 1 4 . 1 1 30 30 GLU C C 30 177.203 177.203 175.158 2.045 25834 2989 1 4 . 1 1 30 30 GLU CA C 30 55.688 55.688 55.321 0.367 25834 2990 1 4 . 1 1 30 30 GLU CB C 30 30.501 30.501 31.346 -0.845 25834 2991 1 4 . 1 1 30 30 GLU H H 30 8.239 8.239 8.222 0.017 25834 2992 1 4 . 1 1 31 31 LEU N N 31 125.229 125.229 121.259 3.970 25834 2993 1 4 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.229 0.598 25834 2994 1 4 . 1 1 31 31 LEU C C 31 178.237 178.237 177.542 0.695 25834 2995 1 4 . 1 1 31 31 LEU CA C 31 54.633 54.633 54.556 0.077 25834 2996 1 4 . 1 1 31 31 LEU CB C 31 43.356 43.356 41.698 1.658 25834 2997 1 4 . 1 1 31 31 LEU H H 31 8.513 8.513 8.397 0.116 25834 2998 1 4 . 1 1 32 32 THR N N 32 113.162 113.162 113.465 -0.303 25834 2999 1 4 . 1 1 32 32 THR HA H 32 4.184 4.184 4.175 0.009 25834 3000 1 4 . 1 1 32 32 THR C C 32 174.923 174.923 175.702 -0.779 25834 3001 1 4 . 1 1 32 32 THR CA C 32 61.002 61.002 62.126 -1.124 25834 3002 1 4 . 1 1 32 32 THR CB C 32 70.848 70.848 69.463 1.385 25834 3003 1 4 . 1 1 32 32 THR H H 32 8.444 8.444 8.094 0.350 25834 3004 1 4 . 1 1 33 33 GLU N N 33 119.849 119.849 121.615 -1.766 25834 3005 1 4 . 1 1 33 33 GLU HA H 33 3.756 3.756 4.010 -0.254 25834 3006 1 4 . 1 1 33 33 GLU C C 33 178.906 178.906 179.012 -0.106 25834 3007 1 4 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.828 0.027 25834 3008 1 4 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.136 -0.233 25834 3009 1 4 . 1 1 33 33 GLU H H 33 8.614 8.614 8.837 -0.223 25834 3010 1 4 . 1 1 34 34 ALA N N 34 118.382 118.382 121.750 -3.368 25834 3011 1 4 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.222 -0.252 25834 3012 1 4 . 1 1 34 34 ALA C C 34 180.554 180.554 179.278 1.276 25834 3013 1 4 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.999 0.584 25834 3014 1 4 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.068 0.708 25834 3015 1 4 . 1 1 34 34 ALA H H 34 8.102 8.102 8.216 -0.114 25834 3016 1 4 . 1 1 35 35 ALA N N 35 121.658 121.658 120.252 1.406 25834 3017 1 4 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.043 -0.198 25834 3018 1 4 . 1 1 35 35 ALA C C 35 178.231 178.231 178.532 -0.301 25834 3019 1 4 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.375 0.131 25834 3020 1 4 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.217 0.928 25834 3021 1 4 . 1 1 35 35 ALA H H 35 7.456 7.456 8.419 -0.963 25834 3022 1 4 . 1 1 36 36 LYS N N 36 114.479 114.479 117.712 -3.233 25834 3023 1 4 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.208 -0.352 25834 3024 1 4 . 1 1 36 36 LYS C C 36 176.884 176.884 178.391 -1.507 25834 3025 1 4 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.002 0.798 25834 3026 1 4 . 1 1 36 36 LYS CB C 36 32.820 32.820 32.789 0.031 25834 3027 1 4 . 1 1 36 36 LYS H H 36 7.897 7.897 7.655 0.242 25834 3028 1 4 . 1 1 37 37 GLN N N 37 114.203 114.203 117.919 -3.716 25834 3029 1 4 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.120 0.080 25834 3030 1 4 . 1 1 37 37 GLN C C 37 176.478 176.478 176.695 -0.217 25834 3031 1 4 . 1 1 37 37 GLN CA C 37 55.119 55.119 56.561 -1.442 25834 3032 1 4 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.915 -0.532 25834 3033 1 4 . 1 1 37 37 GLN H H 37 6.970 6.970 7.805 -0.835 25834 3034 1 4 . 1 1 38 38 LEU N N 38 120.478 120.478 119.728 0.750 25834 3035 1 4 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.261 -0.416 25834 3036 1 4 . 1 1 38 38 LEU C C 38 171.820 171.820 174.786 -2.966 25834 3037 1 4 . 1 1 38 38 LEU CA C 38 53.862 53.862 53.383 0.479 25834 3038 1 4 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.506 -1.489 25834 3039 1 4 . 1 1 38 38 LEU H H 38 7.155 7.155 7.515 -0.360 25834 3040 1 4 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.426 -0.101 25834 3041 1 4 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.410 0.541 25834 3042 1 4 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.111 -0.029 25834 3043 1 4 . 1 1 40 40 GLN N N 40 125.695 125.695 120.600 5.095 25834 3044 1 4 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.012 -0.228 25834 3045 1 4 . 1 1 40 40 GLN C C 40 177.994 177.994 177.191 0.803 25834 3046 1 4 . 1 1 40 40 GLN CA C 40 59.489 59.489 56.468 3.022 25834 3047 1 4 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.330 -1.203 25834 3048 1 4 . 1 1 40 40 GLN H H 40 9.245 9.245 8.332 0.913 25834 3049 1 4 . 1 1 41 41 HIS N N 41 125.870 125.870 119.022 6.848 25834 3050 1 4 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.214 0.315 25834 3051 1 4 . 1 1 41 41 HIS CA C 41 58.408 58.408 60.242 -1.834 25834 3052 1 4 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.652 -0.263 25834 3053 1 4 . 1 1 41 41 HIS H H 41 11.289 11.289 8.697 2.592 25834 3054 1 4 . 1 1 42 42 ILE N N 42 119.609 119.609 117.066 2.543 25834 3055 1 4 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.980 -0.113 25834 3056 1 4 . 1 1 42 42 ILE C C 42 178.715 178.715 177.486 1.229 25834 3057 1 4 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.439 -3.316 25834 3058 1 4 . 1 1 42 42 ILE CB C 42 35.548 35.548 36.528 -0.980 25834 3059 1 4 . 1 1 42 42 ILE H H 42 6.700 6.700 7.883 -1.183 25834 3060 1 4 . 1 1 43 43 ILE N N 43 122.532 122.532 120.908 1.624 25834 3061 1 4 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.940 -0.441 25834 3062 1 4 . 1 1 43 43 ILE C C 43 178.325 178.325 178.013 0.312 25834 3063 1 4 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.263 2.274 25834 3064 1 4 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.294 0.944 25834 3065 1 4 . 1 1 43 43 ILE H H 43 7.673 7.673 7.700 -0.027 25834 3066 1 4 . 1 1 44 44 GLY N N 44 101.559 101.559 106.970 -5.411 25834 3067 1 4 . 1 1 44 44 GLY C C 44 174.914 174.914 175.241 -0.327 25834 3068 1 4 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.716 -0.353 25834 3069 1 4 . 1 1 44 44 GLY H H 44 7.938 7.938 8.013 -0.075 25834 3070 1 4 . 1 1 45 45 VAL N N 45 106.862 106.862 119.039 -12.177 25834 3071 1 4 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.346 0.412 25834 3072 1 4 . 1 1 45 45 VAL C C 45 175.397 175.397 176.465 -1.068 25834 3073 1 4 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.419 -1.887 25834 3074 1 4 . 1 1 45 45 VAL CB C 45 33.024 33.024 33.072 -0.049 25834 3075 1 4 . 1 1 45 45 VAL H H 45 6.843 6.843 7.195 -0.352 25834 3076 1 4 . 1 1 46 46 THR N N 46 117.226 117.226 115.902 1.324 25834 3077 1 4 . 1 1 46 46 THR HA H 46 4.447 4.447 4.147 0.300 25834 3078 1 4 . 1 1 46 46 THR C C 46 172.087 172.087 174.495 -2.408 25834 3079 1 4 . 1 1 46 46 THR CA C 46 62.571 62.571 62.918 -0.347 25834 3080 1 4 . 1 1 46 46 THR CB C 46 68.863 68.863 69.438 -0.575 25834 3081 1 4 . 1 1 46 46 THR H H 46 7.093 7.093 7.489 -0.396 25834 3082 1 4 . 1 1 47 47 ASP N N 47 127.436 127.436 122.177 5.259 25834 3083 1 4 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.745 -0.128 25834 3084 1 4 . 1 1 47 47 ASP C C 47 174.684 174.684 176.809 -2.125 25834 3085 1 4 . 1 1 47 47 ASP CA C 47 52.604 52.604 53.134 -0.530 25834 3086 1 4 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.001 1.736 25834 3087 1 4 . 1 1 47 47 ASP H H 47 7.612 7.612 8.534 -0.922 25834 3088 1 4 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.382 -0.393 25834 3089 1 4 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.499 -0.471 25834 3090 1 4 . 1 1 48 48 PRO CB C 48 32.280 32.280 31.965 0.315 25834 3091 1 4 . 1 1 49 49 THR N N 49 114.121 114.121 112.653 1.468 25834 3092 1 4 . 1 1 49 49 THR HA H 49 4.189 4.189 4.329 -0.140 25834 3093 1 4 . 1 1 49 49 THR C C 49 177.000 177.000 176.331 0.669 25834 3094 1 4 . 1 1 49 49 THR CA C 49 66.844 66.844 63.880 2.964 25834 3095 1 4 . 1 1 49 49 THR CB C 49 67.824 67.824 68.624 -0.800 25834 3096 1 4 . 1 1 49 49 THR H H 49 7.942 7.942 8.052 -0.110 25834 3097 1 4 . 1 1 50 50 LYS N N 50 123.787 123.787 122.748 1.039 25834 3098 1 4 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.243 -0.326 25834 3099 1 4 . 1 1 50 50 LYS C C 50 177.547 177.547 178.261 -0.714 25834 3100 1 4 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.881 -0.149 25834 3101 1 4 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.239 1.076 25834 3102 1 4 . 1 1 50 50 LYS H H 50 7.070 7.070 7.727 -0.657 25834 3103 1 4 . 1 1 51 51 LEU N N 51 115.307 115.307 116.761 -1.454 25834 3104 1 4 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.020 -0.215 25834 3105 1 4 . 1 1 51 51 LEU C C 51 178.314 178.314 178.133 0.181 25834 3106 1 4 . 1 1 51 51 LEU CA C 51 57.994 57.994 58.048 -0.054 25834 3107 1 4 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.705 -0.489 25834 3108 1 4 . 1 1 51 51 LEU H H 51 7.439 7.439 7.955 -0.516 25834 3109 1 4 . 1 1 52 52 ASN N N 52 115.979 115.979 117.061 -1.082 25834 3110 1 4 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.500 -0.228 25834 3111 1 4 . 1 1 52 52 ASN C C 52 178.387 178.387 176.520 1.867 25834 3112 1 4 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.355 -0.190 25834 3113 1 4 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.531 -0.640 25834 3114 1 4 . 1 1 52 52 ASN H H 52 8.533 8.533 7.926 0.607 25834 3115 1 4 . 1 1 53 53 ALA N N 53 119.261 119.261 121.237 -1.976 25834 3116 1 4 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.409 -0.179 25834 3117 1 4 . 1 1 53 53 ALA C C 53 179.957 179.957 179.326 0.631 25834 3118 1 4 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.206 -0.169 25834 3119 1 4 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.679 0.643 25834 3120 1 4 . 1 1 53 53 ALA H H 53 7.681 7.681 7.588 0.093 25834 3121 1 4 . 1 1 54 54 GLN N N 54 111.586 111.586 114.994 -3.408 25834 3122 1 4 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.141 0.265 25834 3123 1 4 . 1 1 54 54 GLN C C 54 178.500 178.500 176.699 1.801 25834 3124 1 4 . 1 1 54 54 GLN CA C 54 57.793 57.793 56.740 1.053 25834 3125 1 4 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.304 0.127 25834 3126 1 4 . 1 1 54 54 GLN H H 54 7.905 7.905 7.748 0.157 25834 3127 1 4 . 1 1 55 55 VAL N N 55 120.362 120.362 118.970 1.392 25834 3128 1 4 . 1 1 55 55 VAL HA H 55 4.205 4.205 4.110 0.095 25834 3129 1 4 . 1 1 55 55 VAL C C 55 174.795 174.795 176.519 -1.724 25834 3130 1 4 . 1 1 55 55 VAL CA C 55 64.682 64.682 62.323 2.359 25834 3131 1 4 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.476 -1.089 25834 3132 1 4 . 1 1 55 55 VAL H H 55 8.137 8.137 7.281 0.856 25834 3133 1 4 . 1 1 56 56 SER N N 56 114.478 114.478 113.254 1.224 25834 3134 1 4 . 1 1 56 56 SER HA H 56 3.882 3.882 4.245 -0.363 25834 3135 1 4 . 1 1 56 56 SER C C 56 174.256 174.256 174.806 -0.550 25834 3136 1 4 . 1 1 56 56 SER CA C 56 60.480 60.480 59.389 1.091 25834 3137 1 4 . 1 1 56 56 SER CB C 56 62.427 62.427 62.699 -0.272 25834 3138 1 4 . 1 1 56 56 SER H H 56 7.899 7.899 8.132 -0.233 25834 3139 1 4 . 1 1 57 57 TYR N N 57 117.315 117.315 118.535 -1.220 25834 3140 1 4 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.631 -0.294 25834 3141 1 4 . 1 1 57 57 TYR C C 57 175.570 175.570 175.029 0.541 25834 3142 1 4 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.712 -0.039 25834 3143 1 4 . 1 1 57 57 TYR CB C 57 40.264 40.264 41.327 -1.063 25834 3144 1 4 . 1 1 57 57 TYR H H 57 7.662 7.662 7.401 0.261 25834 3145 1 4 . 1 1 58 58 PHE N N 58 118.544 118.544 113.536 5.008 25834 3146 1 4 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.857 -0.451 25834 3147 1 4 . 1 1 58 58 PHE C C 58 171.715 171.715 173.383 -1.668 25834 3148 1 4 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.695 0.794 25834 3149 1 4 . 1 1 58 58 PHE CB C 58 41.401 41.401 40.348 1.053 25834 3150 1 4 . 1 1 58 58 PHE H H 58 7.727 7.727 7.153 0.574 25834 3151 1 4 . 1 1 59 59 GLN N N 59 127.699 127.699 121.639 6.060 25834 3152 1 4 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.563 -0.846 25834 3153 1 4 . 1 1 59 59 GLN C C 59 172.421 172.421 175.545 -3.124 25834 3154 1 4 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.599 -0.387 25834 3155 1 4 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.460 -3.515 25834 3156 1 4 . 1 1 59 59 GLN H H 59 7.909 7.909 8.728 -0.819 25834 3157 1 4 . 1 1 60 60 CYS N N 60 125.668 125.668 123.576 2.092 25834 3158 1 4 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.763 -1.485 25834 3159 1 4 . 1 1 60 60 CYS C C 60 171.317 171.317 173.602 -2.285 25834 3160 1 4 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.366 1.057 25834 3161 1 4 . 1 1 60 60 CYS CB C 60 26.588 26.588 28.354 -1.766 25834 3162 1 4 . 1 1 60 60 CYS H H 60 6.802 6.802 8.491 -1.689 25834 3163 1 4 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.244 -0.142 25834 3164 1 4 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.794 -0.324 25834 3165 1 4 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.906 -0.286 25834 3166 1 4 . 1 1 63 63 TRP N N 63 110.609 110.609 115.064 -4.455 25834 3167 1 4 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.594 -0.162 25834 3168 1 4 . 1 1 63 63 TRP C C 63 176.764 176.764 174.894 1.870 25834 3169 1 4 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.513 -1.504 25834 3170 1 4 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.289 0.069 25834 3171 1 4 . 1 1 63 63 TRP H H 63 6.172 6.172 7.372 -1.200 25834 3172 1 4 . 1 1 64 64 ALA N N 64 124.983 124.983 121.612 3.371 25834 3173 1 4 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.527 0.889 25834 3174 1 4 . 1 1 64 64 ALA C C 64 176.025 176.025 177.004 -0.979 25834 3175 1 4 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.587 0.049 25834 3176 1 4 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.233 2.122 25834 3177 1 4 . 1 1 64 64 ALA H H 64 7.038 7.038 6.557 0.481 25834 3178 1 4 . 1 1 65 65 ALA N N 65 120.111 120.111 123.223 -3.112 25834 3179 1 4 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.031 0.574 25834 3180 1 4 . 1 1 65 65 ALA C C 65 175.012 175.012 176.599 -1.587 25834 3181 1 4 . 1 1 65 65 ALA CA C 65 50.868 50.868 52.967 -2.099 25834 3182 1 4 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.623 6.098 25834 3183 1 4 . 1 1 65 65 ALA H H 65 8.344 8.344 8.330 0.014 25834 3184 1 4 . 1 1 66 66 LEU N N 66 118.667 118.667 118.148 0.519 25834 3185 1 4 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.528 -0.545 25834 3186 1 4 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.022 1.165 25834 3187 1 4 . 1 1 66 66 LEU CB C 66 42.535 42.535 43.283 -0.748 25834 3188 1 4 . 1 1 66 66 LEU H H 66 8.272 8.272 7.950 0.322 25834 3189 1 4 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.055 -0.904 25834 3190 1 4 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.418 0.702 25834 3191 1 4 . 1 1 67 67 PRO CB C 67 31.810 31.810 31.821 -0.011 25834 3192 1 4 . 1 1 68 68 SER N N 68 118.916 118.916 115.865 3.051 25834 3193 1 4 . 1 1 68 68 SER HA H 68 4.197 4.197 4.547 -0.350 25834 3194 1 4 . 1 1 68 68 SER C C 68 173.454 173.454 173.334 0.120 25834 3195 1 4 . 1 1 68 68 SER CA C 68 57.667 57.667 58.498 -0.831 25834 3196 1 4 . 1 1 68 68 SER CB C 68 63.129 63.129 64.569 -1.440 25834 3197 1 4 . 1 1 68 68 SER H H 68 6.468 6.468 8.605 -2.137 25834 3198 1 4 . 1 1 69 69 VAL N N 69 119.159 119.159 120.283 -1.124 25834 3199 1 4 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.222 -0.016 25834 3200 1 4 . 1 1 69 69 VAL C C 69 174.162 174.162 174.596 -0.434 25834 3201 1 4 . 1 1 69 69 VAL CA C 69 60.536 60.536 61.103 -0.567 25834 3202 1 4 . 1 1 69 69 VAL CB C 69 34.809 34.809 35.419 -0.610 25834 3203 1 4 . 1 1 69 69 VAL H H 69 6.702 6.702 7.485 -0.783 25834 3204 1 4 . 1 1 70 70 ALA N N 70 128.571 128.571 127.486 1.085 25834 3205 1 4 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.804 -0.581 25834 3206 1 4 . 1 1 70 70 ALA C C 70 176.888 176.888 177.137 -0.249 25834 3207 1 4 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.620 1.270 25834 3208 1 4 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.870 -0.152 25834 3209 1 4 . 1 1 70 70 ALA H H 70 8.486 8.486 8.594 -0.108 25834 3210 1 4 . 1 1 71 71 CYS N N 71 120.365 120.365 121.376 -1.011 25834 3211 1 4 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.057 0.389 25834 3212 1 4 . 1 1 71 71 CYS C C 71 173.126 173.126 173.291 -0.165 25834 3213 1 4 . 1 1 71 71 CYS CA C 71 58.111 58.111 57.033 1.078 25834 3214 1 4 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.606 0.127 25834 3215 1 4 . 1 1 71 71 CYS H H 71 8.222 8.222 8.750 -0.528 25834 3216 1 4 . 1 1 72 72 HIS N N 72 114.002 114.002 115.139 -1.137 25834 3217 1 4 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.039 -0.186 25834 3218 1 4 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.541 0.393 25834 3219 1 4 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.371 -0.913 25834 3220 1 4 . 1 1 72 72 HIS H H 72 9.033 9.033 8.568 0.465 25834 3221 1 4 . 1 1 73 73 LEU N N 73 117.312 117.312 120.687 -3.375 25834 3222 1 4 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.592 0.431 25834 3223 1 4 . 1 1 73 73 LEU C C 73 176.776 176.776 174.990 1.786 25834 3224 1 4 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.332 -0.698 25834 3225 1 4 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.310 -2.948 25834 3226 1 4 . 1 1 73 73 LEU H H 73 9.300 9.300 8.278 1.022 25834 3227 1 4 . 1 1 74 74 GLN N N 74 125.734 125.734 124.624 1.110 25834 3228 1 4 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.646 -0.061 25834 3229 1 4 . 1 1 74 74 GLN C C 74 175.495 175.495 173.819 1.676 25834 3230 1 4 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.327 0.638 25834 3231 1 4 . 1 1 74 74 GLN CB C 74 30.517 30.517 32.045 -1.528 25834 3232 1 4 . 1 1 74 74 GLN H H 74 9.117 9.117 8.539 0.578 25834 3233 1 4 . 1 1 75 75 CYS N N 75 129.141 129.141 123.456 5.685 25834 3234 1 4 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.728 -0.681 25834 3235 1 4 . 1 1 75 75 CYS C C 75 173.524 173.524 174.787 -1.263 25834 3236 1 4 . 1 1 75 75 CYS CA C 75 57.494 57.494 55.175 2.319 25834 3237 1 4 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.116 -1.823 25834 3238 1 4 . 1 1 75 75 CYS H H 75 9.362 9.362 8.803 0.559 25834 3239 1 4 . 1 1 76 76 THR N N 76 120.173 120.173 114.849 5.324 25834 3240 1 4 . 1 1 76 76 THR HA H 76 5.014 5.014 4.677 0.337 25834 3241 1 4 . 1 1 76 76 THR C C 76 172.958 172.958 174.397 -1.439 25834 3242 1 4 . 1 1 76 76 THR CA C 76 59.790 59.790 60.372 -0.582 25834 3243 1 4 . 1 1 76 76 THR CB C 76 72.870 72.870 70.211 2.659 25834 3244 1 4 . 1 1 76 76 THR H H 76 8.477 8.477 8.010 0.467 25834 3245 1 4 . 1 1 77 77 ARG N N 77 121.783 121.783 121.511 0.272 25834 3246 1 4 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.570 -0.158 25834 3247 1 4 . 1 1 77 77 ARG C C 77 175.808 175.808 175.126 0.682 25834 3248 1 4 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.872 -0.151 25834 3249 1 4 . 1 1 77 77 ARG CB C 77 33.164 33.164 31.839 1.325 25834 3250 1 4 . 1 1 77 77 ARG H H 77 8.769 8.769 7.910 0.859 25834 3251 1 4 . 1 1 78 78 ASP N N 78 130.879 130.879 123.855 7.024 25834 3252 1 4 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.294 -0.104 25834 3253 1 4 . 1 1 78 78 ASP C C 78 175.472 175.472 176.732 -1.260 25834 3254 1 4 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.105 0.604 25834 3255 1 4 . 1 1 78 78 ASP CB C 78 39.661 39.661 38.983 0.678 25834 3256 1 4 . 1 1 78 78 ASP H H 78 9.499 9.499 9.049 0.450 25834 3257 1 4 . 1 1 79 79 GLY N N 79 102.423 102.423 102.300 0.123 25834 3258 1 4 . 1 1 79 79 GLY C C 79 173.613 173.613 174.345 -0.732 25834 3259 1 4 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.101 -0.139 25834 3260 1 4 . 1 1 79 79 GLY H H 79 8.361 8.361 8.630 -0.269 25834 3261 1 4 . 1 1 80 80 LEU N N 80 123.754 123.754 121.477 2.277 25834 3262 1 4 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.680 0.307 25834 3263 1 4 . 1 1 80 80 LEU C C 80 174.659 174.659 174.853 -0.194 25834 3264 1 4 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.169 1.021 25834 3265 1 4 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.057 -1.004 25834 3266 1 4 . 1 1 80 80 LEU H H 80 7.775 7.775 7.606 0.169 25834 3267 1 4 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.412 0.155 25834 3268 1 4 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.555 0.305 25834 3269 1 4 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.769 1.691 25834 3270 1 4 . 1 1 82 82 LEU N N 82 126.089 126.089 125.054 1.035 25834 3271 1 4 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.394 0.595 25834 3272 1 4 . 1 1 82 82 LEU C C 82 174.148 174.148 176.235 -2.087 25834 3273 1 4 . 1 1 82 82 LEU CA C 82 52.635 52.635 53.304 -0.669 25834 3274 1 4 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.687 1.314 25834 3275 1 4 . 1 1 82 82 LEU H H 82 8.131 8.131 7.706 0.425 25834 3276 1 4 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.416 -0.226 25834 3277 1 4 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.524 1.316 25834 3278 1 4 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.366 0.714 25834 3279 1 4 . 1 1 84 84 ALA N N 84 123.359 123.359 126.182 -2.823 25834 3280 1 4 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.546 -0.355 25834 3281 1 4 . 1 1 84 84 ALA C C 84 178.112 178.112 177.256 0.856 25834 3282 1 4 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.062 -0.308 25834 3283 1 4 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.194 0.948 25834 3284 1 4 . 1 1 84 84 ALA H H 84 8.063 8.063 8.243 -0.180 25834 3285 1 4 . 1 1 85 85 LEU N N 85 118.757 118.757 121.615 -2.858 25834 3286 1 4 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.511 0.122 25834 3287 1 4 . 1 1 85 85 LEU C C 85 177.225 177.225 176.583 0.642 25834 3288 1 4 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.379 -1.021 25834 3289 1 4 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.743 -3.574 25834 3290 1 4 . 1 1 85 85 LEU H H 85 8.393 8.393 8.157 0.236 25834 3291 1 4 . 1 1 86 86 GLY N N 86 112.143 112.143 110.499 1.644 25834 3292 1 4 . 1 1 86 86 GLY C C 86 173.704 173.704 174.939 -1.235 25834 3293 1 4 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.257 1.623 25834 3294 1 4 . 1 1 86 86 GLY H H 86 9.046 9.046 8.611 0.435 25834 3295 1 4 . 1 1 87 87 LEU N N 87 123.289 123.289 126.882 -3.593 25834 3296 1 4 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.287 0.244 25834 3297 1 4 . 1 1 87 87 LEU C C 87 177.568 177.568 176.794 0.774 25834 3298 1 4 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.267 -0.308 25834 3299 1 4 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.635 3.276 25834 3300 1 4 . 1 1 87 87 LEU H H 87 7.934 7.934 8.151 -0.217 25834 3301 1 4 . 1 1 88 88 HIS N N 88 116.221 116.221 117.846 -1.625 25834 3302 1 4 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.307 -0.436 25834 3303 1 4 . 1 1 88 88 HIS CA C 88 57.568 57.568 55.144 2.424 25834 3304 1 4 . 1 1 88 88 HIS CB C 88 31.776 31.776 29.963 1.813 25834 3305 1 4 . 1 1 88 88 HIS H H 88 9.253 9.253 7.932 1.321 25834 3306 1 4 . 1 1 89 89 ARG N N 89 118.280 118.280 118.660 -0.380 25834 3307 1 4 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.367 -0.328 25834 3308 1 4 . 1 1 89 89 ARG C C 89 175.205 175.205 176.394 -1.189 25834 3309 1 4 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.972 -0.442 25834 3310 1 4 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.434 1.369 25834 3311 1 4 . 1 1 89 89 ARG H H 89 7.300 7.300 8.519 -1.219 25834 3312 1 4 . 1 1 90 90 PHE N N 90 113.880 113.880 117.668 -3.788 25834 3313 1 4 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.799 0.604 25834 3314 1 4 . 1 1 90 90 PHE C C 90 172.663 172.663 174.282 -1.619 25834 3315 1 4 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.379 -2.024 25834 3316 1 4 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.123 -0.014 25834 3317 1 4 . 1 1 90 90 PHE H H 90 7.252 7.252 7.866 -0.614 25834 3318 1 4 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.353 0.496 25834 3319 1 4 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.564 -1.224 25834 3320 1 4 . 1 1 91 91 PRO CB C 91 32.970 32.970 31.877 1.093 25834 3321 1 4 . 1 1 92 92 PHE N N 92 104.480 104.480 112.608 -8.128 25834 3322 1 4 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.316 0.657 25834 3323 1 4 . 1 1 92 92 PHE C C 92 172.347 172.347 173.773 -1.426 25834 3324 1 4 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.412 -0.052 25834 3325 1 4 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.172 0.575 25834 3326 1 4 . 1 1 92 92 PHE H H 92 6.117 6.117 6.949 -0.832 25834 3327 1 4 . 1 1 93 93 TYR N N 93 120.959 120.959 117.455 3.504 25834 3328 1 4 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.961 -0.592 25834 3329 1 4 . 1 1 93 93 TYR C C 93 173.417 173.417 174.212 -0.795 25834 3330 1 4 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.481 -0.093 25834 3331 1 4 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.108 2.342 25834 3332 1 4 . 1 1 93 93 TYR H H 93 9.370 9.370 9.284 0.086 25834 3333 1 4 . 1 1 94 94 LEU N N 94 123.359 123.359 124.819 -1.460 25834 3334 1 4 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.610 0.473 25834 3335 1 4 . 1 1 94 94 LEU C C 94 176.045 176.045 174.601 1.444 25834 3336 1 4 . 1 1 94 94 LEU CA C 94 54.107 54.107 53.986 0.121 25834 3337 1 4 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.141 1.032 25834 3338 1 4 . 1 1 94 94 LEU H H 94 10.272 10.272 8.816 1.456 25834 3339 1 4 . 1 1 95 95 PHE N N 95 119.493 119.493 123.540 -4.047 25834 3340 1 4 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.857 0.380 25834 3341 1 4 . 1 1 95 95 PHE C C 95 175.870 175.870 175.123 0.747 25834 3342 1 4 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.568 -0.799 25834 3343 1 4 . 1 1 95 95 PHE CB C 95 42.330 42.330 41.681 0.649 25834 3344 1 4 . 1 1 95 95 PHE H H 95 8.761 8.761 8.796 -0.035 25834 3345 1 4 . 1 1 96 96 GLY N N 96 109.374 109.374 110.668 -1.294 25834 3346 1 4 . 1 1 96 96 GLY C C 96 170.712 170.712 172.716 -2.004 25834 3347 1 4 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.227 0.159 25834 3348 1 4 . 1 1 96 96 GLY H H 96 7.966 7.966 8.674 -0.708 25834 3349 1 4 . 1 1 97 97 ARG N N 97 119.683 119.683 120.290 -0.607 25834 3350 1 4 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.758 -0.108 25834 3351 1 4 . 1 1 97 97 ARG C C 97 177.225 177.225 176.301 0.924 25834 3352 1 4 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.881 1.618 25834 3353 1 4 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.496 0.378 25834 3354 1 4 . 1 1 97 97 ARG H H 97 8.147 8.147 8.132 0.015 25834 3355 1 4 . 1 1 98 98 SER N N 98 113.711 113.711 116.830 -3.119 25834 3356 1 4 . 1 1 98 98 SER HA H 98 4.337 4.337 4.520 -0.183 25834 3357 1 4 . 1 1 98 98 SER C C 98 176.172 176.172 175.229 0.943 25834 3358 1 4 . 1 1 98 98 SER CA C 98 57.909 57.909 58.531 -0.621 25834 3359 1 4 . 1 1 98 98 SER CB C 98 63.085 63.085 64.341 -1.256 25834 3360 1 4 . 1 1 98 98 SER H H 98 9.133 9.133 7.710 1.423 25834 3361 1 4 . 1 1 99 99 LYS N N 99 124.590 124.590 123.842 0.748 25834 3362 1 4 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.208 -0.264 25834 3363 1 4 . 1 1 99 99 LYS C C 99 176.548 176.548 177.060 -0.512 25834 3364 1 4 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.988 0.205 25834 3365 1 4 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.742 -0.081 25834 3366 1 4 . 1 1 99 99 LYS H H 99 8.451 8.451 8.706 -0.255 25834 3367 1 4 . 1 1 100 100 VAL N N 100 114.126 114.126 112.393 1.733 25834 3368 1 4 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.026 -0.128 25834 3369 1 4 . 1 1 100 100 VAL C C 100 176.832 176.832 176.280 0.552 25834 3370 1 4 . 1 1 100 100 VAL CA C 100 62.964 62.964 61.825 1.139 25834 3371 1 4 . 1 1 100 100 VAL CB C 100 31.693 31.693 30.943 0.750 25834 3372 1 4 . 1 1 100 100 VAL H H 100 7.512 7.512 7.572 -0.060 25834 3373 1 4 . 1 1 101 101 CYS N N 101 119.359 119.359 119.912 -0.553 25834 3374 1 4 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.393 -0.906 25834 3375 1 4 . 1 1 101 101 CYS C C 101 172.156 172.156 175.114 -2.958 25834 3376 1 4 . 1 1 101 101 CYS CA C 101 61.155 61.155 59.767 1.388 25834 3377 1 4 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.926 -3.078 25834 3378 1 4 . 1 1 101 101 CYS H H 101 7.641 7.641 7.244 0.397 25834 3379 1 4 . 1 1 102 102 ASP N N 102 118.734 118.734 121.569 -2.835 25834 3380 1 4 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.348 -0.419 25834 3381 1 4 . 1 1 102 102 ASP C C 102 175.410 175.410 175.419 -0.009 25834 3382 1 4 . 1 1 102 102 ASP CA C 102 57.029 57.029 56.735 0.294 25834 3383 1 4 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.297 1.631 25834 3384 1 4 . 1 1 102 102 ASP H H 102 7.367 7.367 8.390 -1.023 25834 3385 1 4 . 1 1 103 103 TYR N N 103 114.004 114.004 118.137 -4.133 25834 3386 1 4 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.582 0.650 25834 3387 1 4 . 1 1 103 103 TYR C C 103 172.997 172.997 173.707 -0.710 25834 3388 1 4 . 1 1 103 103 TYR CA C 103 57.354 57.354 56.865 0.489 25834 3389 1 4 . 1 1 103 103 TYR CB C 103 39.280 39.280 40.278 -0.998 25834 3390 1 4 . 1 1 103 103 TYR H H 103 7.111 7.111 7.555 -0.444 25834 3391 1 4 . 1 1 104 104 VAL N N 104 124.660 124.660 126.000 -1.340 25834 3392 1 4 . 1 1 104 104 VAL HA H 104 4.525 4.525 5.031 -0.506 25834 3393 1 4 . 1 1 104 104 VAL C C 104 176.491 176.491 175.047 1.444 25834 3394 1 4 . 1 1 104 104 VAL CA C 104 61.221 61.221 60.891 0.330 25834 3395 1 4 . 1 1 104 104 VAL CB C 104 31.806 31.806 32.564 -0.758 25834 3396 1 4 . 1 1 104 104 VAL H H 104 8.210 8.210 8.420 -0.210 25834 3397 1 4 . 1 1 105 105 LEU N N 105 130.546 130.546 129.891 0.655 25834 3398 1 4 . 1 1 105 105 LEU HA H 105 4.567 4.567 5.052 -0.485 25834 3399 1 4 . 1 1 105 105 LEU C C 105 175.794 175.794 175.924 -0.130 25834 3400 1 4 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.672 -0.814 25834 3401 1 4 . 1 1 105 105 LEU CB C 105 43.199 43.199 44.588 -1.389 25834 3402 1 4 . 1 1 105 105 LEU H H 105 8.217 8.217 8.331 -0.114 25834 3403 1 4 . 1 1 106 106 GLU N N 106 117.285 117.285 118.846 -1.561 25834 3404 1 4 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.689 -0.440 25834 3405 1 4 . 1 1 106 106 GLU C C 106 176.698 176.698 175.232 1.466 25834 3406 1 4 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.119 0.534 25834 3407 1 4 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.564 0.586 25834 3408 1 4 . 1 1 106 106 GLU H H 106 8.219 8.219 8.431 -0.212 25834 3409 1 4 . 1 1 107 107 HIS N N 107 123.685 123.685 123.563 0.122 25834 3410 1 4 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.877 -1.026 25834 3411 1 4 . 1 1 107 107 HIS CA C 107 58.239 58.239 54.735 3.504 25834 3412 1 4 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.051 -1.132 25834 3413 1 4 . 1 1 107 107 HIS H H 107 7.703 7.703 8.536 -0.833 25834 3414 1 4 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.525 -0.385 25834 3415 1 4 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.156 0.494 25834 3416 1 4 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.409 -0.389 25834 3417 1 4 . 1 1 109 109 SER N N 109 114.134 114.134 113.007 1.127 25834 3418 1 4 . 1 1 109 109 SER HA H 109 4.326 4.326 4.561 -0.235 25834 3419 1 4 . 1 1 109 109 SER C C 109 174.553 174.553 174.649 -0.096 25834 3420 1 4 . 1 1 109 109 SER CA C 109 59.214 59.214 59.492 -0.278 25834 3421 1 4 . 1 1 109 109 SER CB C 109 64.953 64.953 64.320 0.633 25834 3422 1 4 . 1 1 109 109 SER H H 109 9.035 9.035 8.098 0.937 25834 3423 1 4 . 1 1 110 110 ILE N N 110 128.498 128.498 124.240 4.258 25834 3424 1 4 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.191 0.028 25834 3425 1 4 . 1 1 110 110 ILE C C 110 175.968 175.968 175.653 0.315 25834 3426 1 4 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.212 -2.309 25834 3427 1 4 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.594 -0.856 25834 3428 1 4 . 1 1 110 110 ILE H H 110 8.103 8.103 8.059 0.044 25834 3429 1 4 . 1 1 111 111 SER N N 111 127.509 127.509 122.722 4.787 25834 3430 1 4 . 1 1 111 111 SER HA H 111 4.207 4.207 4.849 -0.642 25834 3431 1 4 . 1 1 111 111 SER C C 111 174.300 174.300 175.556 -1.256 25834 3432 1 4 . 1 1 111 111 SER CA C 111 60.844 60.844 57.530 3.314 25834 3433 1 4 . 1 1 111 111 SER CB C 111 64.891 64.891 65.782 -0.891 25834 3434 1 4 . 1 1 111 111 SER H H 111 11.497 11.497 8.179 3.318 25834 3435 1 4 . 1 1 112 112 SER N N 112 120.261 120.261 116.672 3.589 25834 3436 1 4 . 1 1 112 112 SER HA H 112 4.208 4.208 4.312 -0.104 25834 3437 1 4 . 1 1 112 112 SER C C 112 174.250 174.250 174.245 0.005 25834 3438 1 4 . 1 1 112 112 SER CA C 112 63.258 63.258 61.064 2.194 25834 3439 1 4 . 1 1 112 112 SER CB C 112 62.194 62.194 63.171 -0.977 25834 3440 1 4 . 1 1 112 112 SER H H 112 9.135 9.135 8.864 0.271 25834 3441 1 4 . 1 1 113 113 VAL N N 113 118.006 118.006 119.077 -1.071 25834 3442 1 4 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.321 -0.668 25834 3443 1 4 . 1 1 113 113 VAL C C 113 173.570 173.570 175.369 -1.799 25834 3444 1 4 . 1 1 113 113 VAL CA C 113 64.376 64.376 61.834 2.542 25834 3445 1 4 . 1 1 113 113 VAL CB C 113 32.216 32.216 32.517 -0.302 25834 3446 1 4 . 1 1 113 113 VAL H H 113 7.781 7.781 7.686 0.095 25834 3447 1 4 . 1 1 114 114 HIS N N 114 128.080 128.080 126.294 1.786 25834 3448 1 4 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.583 -0.389 25834 3449 1 4 . 1 1 114 114 HIS CA C 114 59.422 59.422 59.709 -0.287 25834 3450 1 4 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.311 4.744 25834 3451 1 4 . 1 1 114 114 HIS H H 114 8.875 8.875 8.207 0.668 25834 3452 1 4 . 1 1 115 115 ALA N N 115 114.264 114.264 114.892 -0.628 25834 3453 1 4 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.786 0.445 25834 3454 1 4 . 1 1 115 115 ALA C C 115 173.729 173.729 174.319 -0.590 25834 3455 1 4 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.703 -0.744 25834 3456 1 4 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.197 2.407 25834 3457 1 4 . 1 1 115 115 ALA H H 115 8.250 8.250 7.635 0.615 25834 3458 1 4 . 1 1 116 116 VAL N N 116 116.683 116.683 118.400 -1.717 25834 3459 1 4 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.870 0.988 25834 3460 1 4 . 1 1 116 116 VAL C C 116 173.135 173.135 173.568 -0.433 25834 3461 1 4 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.504 -1.696 25834 3462 1 4 . 1 1 116 116 VAL CB C 116 36.180 36.180 34.648 1.532 25834 3463 1 4 . 1 1 116 116 VAL H H 116 8.808 8.808 7.816 0.992 25834 3464 1 4 . 1 1 117 117 LEU N N 117 124.933 124.933 126.635 -1.702 25834 3465 1 4 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.353 0.401 25834 3466 1 4 . 1 1 117 117 LEU C C 117 174.233 174.233 175.459 -1.226 25834 3467 1 4 . 1 1 117 117 LEU CA C 117 53.912 53.912 53.241 0.671 25834 3468 1 4 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.428 1.701 25834 3469 1 4 . 1 1 117 117 LEU H H 117 8.799 8.799 8.458 0.341 25834 3470 1 4 . 1 1 118 118 VAL N N 118 123.453 123.453 120.171 3.282 25834 3471 1 4 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.987 0.450 25834 3472 1 4 . 1 1 118 118 VAL C C 118 174.261 174.261 175.420 -1.159 25834 3473 1 4 . 1 1 118 118 VAL CA C 118 59.238 59.238 61.104 -1.866 25834 3474 1 4 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.562 -0.493 25834 3475 1 4 . 1 1 118 118 VAL H H 118 10.009 10.009 8.336 1.673 25834 3476 1 4 . 1 1 119 119 PHE N N 119 132.016 132.016 128.297 3.719 25834 3477 1 4 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.760 0.086 25834 3478 1 4 . 1 1 119 119 PHE C C 119 172.828 172.828 174.483 -1.655 25834 3479 1 4 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.578 3.711 25834 3480 1 4 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.860 -0.220 25834 3481 1 4 . 1 1 119 119 PHE H H 119 9.544 9.544 8.622 0.922 25834 3482 1 4 . 1 1 120 120 HIS N N 120 130.718 130.718 128.418 2.300 25834 3483 1 4 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.969 -1.125 25834 3484 1 4 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.246 -1.418 25834 3485 1 4 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.319 1.957 25834 3486 1 4 . 1 1 120 120 HIS H H 120 8.365 8.365 8.314 0.051 25834 3487 1 4 . 1 1 121 121 GLY N N 121 111.906 111.906 115.300 -3.394 25834 3488 1 4 . 1 1 121 121 GLY C C 121 174.992 174.992 174.236 0.756 25834 3489 1 4 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.801 2.169 25834 3490 1 4 . 1 1 121 121 GLY H H 121 8.150 8.150 8.566 -0.416 25834 3491 1 4 . 1 1 122 122 GLY N N 122 111.156 111.156 108.128 3.028 25834 3492 1 4 . 1 1 122 122 GLY C C 122 175.834 175.834 175.457 0.377 25834 3493 1 4 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.695 0.701 25834 3494 1 4 . 1 1 122 122 GLY H H 122 9.055 9.055 7.826 1.229 25834 3495 1 4 . 1 1 123 123 GLN N N 123 121.769 121.769 118.235 3.534 25834 3496 1 4 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.453 -0.519 25834 3497 1 4 . 1 1 123 123 GLN C C 123 175.649 175.649 175.621 0.028 25834 3498 1 4 . 1 1 123 123 GLN CA C 123 56.432 56.432 54.781 1.651 25834 3499 1 4 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.517 -0.092 25834 3500 1 4 . 1 1 123 123 GLN H H 123 9.270 9.270 7.942 1.328 25834 3501 1 4 . 1 1 124 124 ARG N N 124 115.831 115.831 117.688 -1.857 25834 3502 1 4 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.156 -0.690 25834 3503 1 4 . 1 1 124 124 ARG C C 124 173.830 173.830 174.849 -1.019 25834 3504 1 4 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.444 -0.253 25834 3505 1 4 . 1 1 124 124 ARG CB C 124 26.627 26.627 26.902 -0.275 25834 3506 1 4 . 1 1 124 124 ARG H H 124 8.141 8.141 8.194 -0.053 25834 3507 1 4 . 1 1 125 125 CYS N N 125 111.895 111.895 116.005 -4.110 25834 3508 1 4 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.692 -0.202 25834 3509 1 4 . 1 1 125 125 CYS C C 125 172.037 172.037 173.291 -1.254 25834 3510 1 4 . 1 1 125 125 CYS CA C 125 55.647 55.647 56.624 -0.977 25834 3511 1 4 . 1 1 125 125 CYS CB C 125 30.488 30.488 30.215 0.273 25834 3512 1 4 . 1 1 125 125 CYS H H 125 6.808 6.808 7.765 -0.957 25834 3513 1 4 . 1 1 126 126 PHE N N 126 119.776 119.776 125.734 -5.958 25834 3514 1 4 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.802 0.003 25834 3515 1 4 . 1 1 126 126 PHE C C 126 175.431 175.431 175.525 -0.094 25834 3516 1 4 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.323 1.402 25834 3517 1 4 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.705 0.807 25834 3518 1 4 . 1 1 126 126 PHE H H 126 9.599 9.599 9.095 0.504 25834 3519 1 4 . 1 1 127 127 VAL N N 127 119.700 119.700 124.789 -5.089 25834 3520 1 4 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.349 0.276 25834 3521 1 4 . 1 1 127 127 VAL C C 127 173.499 173.499 174.516 -1.017 25834 3522 1 4 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.093 -0.592 25834 3523 1 4 . 1 1 127 127 VAL CB C 127 34.354 34.354 31.624 2.730 25834 3524 1 4 . 1 1 127 127 VAL H H 127 9.594 9.594 9.101 0.493 25834 3525 1 4 . 1 1 128 128 LEU N N 128 129.107 129.107 130.312 -1.205 25834 3526 1 4 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.317 0.100 25834 3527 1 4 . 1 1 128 128 LEU C C 128 175.310 175.310 175.423 -0.113 25834 3528 1 4 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.225 -0.235 25834 3529 1 4 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.626 1.909 25834 3530 1 4 . 1 1 128 128 LEU H H 128 9.545 9.545 8.166 1.379 25834 3531 1 4 . 1 1 129 129 MET N N 129 119.581 119.581 124.491 -4.910 25834 3532 1 4 . 1 1 129 129 MET HA H 129 4.792 4.792 5.091 -0.299 25834 3533 1 4 . 1 1 129 129 MET C C 129 174.562 174.562 174.674 -0.112 25834 3534 1 4 . 1 1 129 129 MET CA C 129 54.980 54.980 54.470 0.510 25834 3535 1 4 . 1 1 129 129 MET CB C 129 38.129 38.129 36.780 1.349 25834 3536 1 4 . 1 1 129 129 MET H H 129 8.724 8.724 8.141 0.583 25834 3537 1 4 . 1 1 130 130 ASP N N 130 124.566 124.566 123.926 0.640 25834 3538 1 4 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.182 -0.510 25834 3539 1 4 . 1 1 130 130 ASP C C 130 178.291 178.291 177.928 0.363 25834 3540 1 4 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.144 0.622 25834 3541 1 4 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.833 0.230 25834 3542 1 4 . 1 1 130 130 ASP H H 130 9.500 9.500 8.940 0.560 25834 3543 1 4 . 1 1 131 131 LEU N N 131 129.917 129.917 122.243 7.674 25834 3544 1 4 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.407 0.020 25834 3545 1 4 . 1 1 131 131 LEU C C 131 176.172 176.172 177.107 -0.935 25834 3546 1 4 . 1 1 131 131 LEU CA C 131 54.227 54.227 55.032 -0.805 25834 3547 1 4 . 1 1 131 131 LEU CB C 131 39.713 39.713 41.368 -1.655 25834 3548 1 4 . 1 1 131 131 LEU H H 131 8.182 8.182 7.883 0.299 25834 3549 1 4 . 1 1 132 132 GLY N N 132 107.323 107.323 107.260 0.063 25834 3550 1 4 . 1 1 132 132 GLY C C 132 174.507 174.507 174.271 0.236 25834 3551 1 4 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.780 1.491 25834 3552 1 4 . 1 1 132 132 GLY H H 132 8.233 8.233 8.000 0.233 25834 3553 1 4 . 1 1 133 133 SER N N 133 119.398 119.398 115.259 4.139 25834 3554 1 4 . 1 1 133 133 SER HA H 133 4.091 4.091 4.268 -0.177 25834 3555 1 4 . 1 1 133 133 SER C C 133 175.194 175.194 175.589 -0.395 25834 3556 1 4 . 1 1 133 133 SER CA C 133 59.003 59.003 59.140 -0.137 25834 3557 1 4 . 1 1 133 133 SER CB C 133 62.766 62.766 63.163 -0.397 25834 3558 1 4 . 1 1 133 133 SER H H 133 9.111 9.111 8.060 1.051 25834 3559 1 4 . 1 1 134 134 THR N N 134 117.002 117.002 122.384 -5.382 25834 3560 1 4 . 1 1 134 134 THR HA H 134 3.917 3.917 4.004 -0.087 25834 3561 1 4 . 1 1 134 134 THR C C 134 176.542 176.542 175.321 1.221 25834 3562 1 4 . 1 1 134 134 THR CA C 134 66.444 66.444 65.011 1.433 25834 3563 1 4 . 1 1 134 134 THR CB C 134 68.876 68.876 68.953 -0.077 25834 3564 1 4 . 1 1 134 134 THR H H 134 7.136 7.136 8.749 -1.613 25834 3565 1 4 . 1 1 135 135 ASN N N 135 114.018 114.018 119.108 -5.090 25834 3566 1 4 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.662 0.232 25834 3567 1 4 . 1 1 135 135 ASN C C 135 175.875 175.875 174.966 0.909 25834 3568 1 4 . 1 1 135 135 ASN CA C 135 53.679 53.679 53.908 -0.230 25834 3569 1 4 . 1 1 135 135 ASN CB C 135 39.207 39.207 38.696 0.511 25834 3570 1 4 . 1 1 135 135 ASN H H 135 9.243 9.243 8.380 0.863 25834 3571 1 4 . 1 1 136 136 GLY N N 136 106.575 106.575 106.871 -0.296 25834 3572 1 4 . 1 1 136 136 GLY C C 136 174.404 174.404 173.253 1.151 25834 3573 1 4 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.409 1.603 25834 3574 1 4 . 1 1 136 136 GLY H H 136 7.533 7.533 7.943 -0.410 25834 3575 1 4 . 1 1 137 137 VAL N N 137 123.037 123.037 122.314 0.723 25834 3576 1 4 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.202 0.352 25834 3577 1 4 . 1 1 137 137 VAL C C 137 173.367 173.367 174.988 -1.621 25834 3578 1 4 . 1 1 137 137 VAL CA C 137 61.221 61.221 61.640 -0.419 25834 3579 1 4 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.049 3.142 25834 3580 1 4 . 1 1 137 137 VAL H H 137 9.270 9.270 8.302 0.968 25834 3581 1 4 . 1 1 138 138 LYS N N 138 123.932 123.932 123.323 0.609 25834 3582 1 4 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.716 0.192 25834 3583 1 4 . 1 1 138 138 LYS C C 138 174.454 174.454 174.339 0.115 25834 3584 1 4 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.054 -0.534 25834 3585 1 4 . 1 1 138 138 LYS CB C 138 35.859 35.859 35.107 0.752 25834 3586 1 4 . 1 1 138 138 LYS H H 138 8.779 8.779 8.140 0.639 25834 3587 1 4 . 1 1 139 139 LEU N N 139 124.937 124.937 123.933 1.004 25834 3588 1 4 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.705 0.330 25834 3589 1 4 . 1 1 139 139 LEU C C 139 176.335 176.335 176.163 0.172 25834 3590 1 4 . 1 1 139 139 LEU CA C 139 52.721 52.721 53.633 -0.912 25834 3591 1 4 . 1 1 139 139 LEU CB C 139 45.127 45.127 45.801 -0.674 25834 3592 1 4 . 1 1 139 139 LEU H H 139 8.528 8.528 8.783 -0.255 25834 3593 1 4 . 1 1 140 140 ASN N N 140 128.375 128.375 122.387 5.988 25834 3594 1 4 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.546 -0.150 25834 3595 1 4 . 1 1 140 140 ASN C C 140 175.256 175.256 174.905 0.351 25834 3596 1 4 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.577 -0.165 25834 3597 1 4 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.989 -1.111 25834 3598 1 4 . 1 1 140 140 ASN H H 140 10.056 10.056 9.245 0.811 25834 3599 1 4 . 1 1 141 141 GLY N N 141 101.602 101.602 104.161 -2.559 25834 3600 1 4 . 1 1 141 141 GLY C C 141 173.265 173.265 173.458 -0.193 25834 3601 1 4 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.428 -0.456 25834 3602 1 4 . 1 1 141 141 GLY H H 141 8.811 8.811 8.581 0.230 25834 3603 1 4 . 1 1 142 142 ASN N N 142 118.060 118.060 117.866 0.194 25834 3604 1 4 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.868 0.140 25834 3605 1 4 . 1 1 142 142 ASN C C 142 174.106 174.106 174.192 -0.086 25834 3606 1 4 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.056 -0.460 25834 3607 1 4 . 1 1 142 142 ASN CB C 142 41.038 41.038 40.969 0.069 25834 3608 1 4 . 1 1 142 142 ASN H H 142 7.512 7.512 8.058 -0.546 25834 3609 1 4 . 1 1 143 143 ARG N N 143 125.882 125.882 122.420 3.462 25834 3610 1 4 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.153 0.468 25834 3611 1 4 . 1 1 143 143 ARG C C 143 177.077 177.077 176.182 0.895 25834 3612 1 4 . 1 1 143 143 ARG CA C 143 56.940 56.940 58.301 -1.361 25834 3613 1 4 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.586 -0.799 25834 3614 1 4 . 1 1 143 143 ARG H H 143 8.975 8.975 8.621 0.354 25834 3615 1 4 . 1 1 144 144 ILE N N 144 124.442 124.442 117.651 6.791 25834 3616 1 4 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.478 0.093 25834 3617 1 4 . 1 1 144 144 ILE CA C 144 60.795 60.795 59.651 1.145 25834 3618 1 4 . 1 1 144 144 ILE CB C 144 39.273 39.273 40.093 -0.820 25834 3619 1 4 . 1 1 144 144 ILE H H 144 6.907 6.907 7.964 -1.057 25834 3620 1 4 . 1 1 145 145 GLU N N 145 122.815 122.815 120.466 2.349 25834 3621 1 4 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.540 -0.336 25834 3622 1 4 . 1 1 145 145 GLU C C 145 176.123 176.123 175.375 0.748 25834 3623 1 4 . 1 1 145 145 GLU CA C 145 56.335 56.335 55.159 1.176 25834 3624 1 4 . 1 1 145 145 GLU CB C 145 30.592 30.592 31.079 -0.487 25834 3625 1 4 . 1 1 145 145 GLU H H 145 8.628 8.628 8.520 0.108 25834 3626 1 4 . 1 1 146 146 LYS N N 146 122.367 122.367 117.729 4.638 25834 3627 1 4 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.668 -0.552 25834 3628 1 4 . 1 1 146 146 LYS C C 146 175.811 175.811 176.646 -0.835 25834 3629 1 4 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.412 3.543 25834 3630 1 4 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.118 -0.556 25834 3631 1 4 . 1 1 146 146 LYS H H 146 8.755 8.755 8.053 0.702 25834 3632 1 4 . 1 1 147 147 ARG N N 147 115.303 115.303 118.446 -3.143 25834 3633 1 4 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.055 -0.398 25834 3634 1 4 . 1 1 147 147 ARG C C 147 174.121 174.121 175.332 -1.211 25834 3635 1 4 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.524 0.948 25834 3636 1 4 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.410 -1.017 25834 3637 1 4 . 1 1 147 147 ARG H H 147 9.124 9.124 8.211 0.913 25834 3638 1 4 . 1 1 148 148 ARG N N 148 118.994 118.994 116.522 2.472 25834 3639 1 4 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.713 0.249 25834 3640 1 4 . 1 1 148 148 ARG C C 148 173.769 173.769 173.406 0.363 25834 3641 1 4 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.733 -0.247 25834 3642 1 4 . 1 1 148 148 ARG CB C 148 32.396 32.396 33.789 -1.393 25834 3643 1 4 . 1 1 148 148 ARG H H 148 8.133 8.133 7.719 0.414 25834 3644 1 4 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.488 0.150 25834 3645 1 4 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.485 -0.845 25834 3646 1 4 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.742 0.058 25834 3647 1 4 . 1 1 150 150 LEU N N 150 129.239 129.239 125.519 3.720 25834 3648 1 4 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.795 0.181 25834 3649 1 4 . 1 1 150 150 LEU C C 150 173.433 173.433 175.110 -1.677 25834 3650 1 4 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.798 -0.443 25834 3651 1 4 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.867 1.386 25834 3652 1 4 . 1 1 150 150 LEU H H 150 8.850 8.850 8.398 0.452 25834 3653 1 4 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.829 -0.498 25834 3654 1 4 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.114 2.087 25834 3655 1 4 . 1 1 151 151 PRO CB C 151 32.673 32.673 32.340 0.333 25834 3656 1 4 . 1 1 152 152 ALA N N 152 123.538 123.538 124.562 -1.024 25834 3657 1 4 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.813 0.070 25834 3658 1 4 . 1 1 152 152 ALA C C 152 172.551 172.551 175.459 -2.908 25834 3659 1 4 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.308 -1.191 25834 3660 1 4 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.266 -1.164 25834 3661 1 4 . 1 1 152 152 ALA H H 152 8.741 8.741 8.663 0.078 25834 3662 1 4 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.447 0.190 25834 3663 1 4 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.164 -0.084 25834 3664 1 4 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.323 1.007 25834 3665 1 4 . 1 1 154 154 VAL N N 154 121.024 121.024 116.296 4.728 25834 3666 1 4 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.714 -0.390 25834 3667 1 4 . 1 1 154 154 VAL C C 154 176.371 176.371 176.759 -0.388 25834 3668 1 4 . 1 1 154 154 VAL CA C 154 65.636 65.636 61.511 4.125 25834 3669 1 4 . 1 1 154 154 VAL CB C 154 31.513 31.513 30.938 0.575 25834 3670 1 4 . 1 1 154 154 VAL H H 154 8.653 8.653 8.171 0.482 25834 3671 1 4 . 1 1 155 155 GLY N N 155 116.464 116.464 115.039 1.425 25834 3672 1 4 . 1 1 155 155 GLY C C 155 174.707 174.707 174.435 0.272 25834 3673 1 4 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.306 -0.997 25834 3674 1 4 . 1 1 155 155 GLY H H 155 9.242 9.242 8.584 0.658 25834 3675 1 4 . 1 1 156 156 SER N N 156 117.176 117.176 116.054 1.122 25834 3676 1 4 . 1 1 156 156 SER HA H 156 4.684 4.684 4.602 0.082 25834 3677 1 4 . 1 1 156 156 SER C C 156 172.437 172.437 173.241 -0.804 25834 3678 1 4 . 1 1 156 156 SER CA C 156 60.271 60.271 57.359 2.912 25834 3679 1 4 . 1 1 156 156 SER CB C 156 64.119 64.119 64.739 -0.620 25834 3680 1 4 . 1 1 156 156 SER H H 156 8.166 8.166 7.641 0.525 25834 3681 1 4 . 1 1 157 157 SER N N 157 117.025 117.025 114.153 2.872 25834 3682 1 4 . 1 1 157 157 SER HA H 157 5.334 5.334 5.260 0.074 25834 3683 1 4 . 1 1 157 157 SER C C 157 173.729 173.729 173.170 0.559 25834 3684 1 4 . 1 1 157 157 SER CA C 157 56.737 56.737 57.069 -0.333 25834 3685 1 4 . 1 1 157 157 SER CB C 157 65.445 65.445 66.017 -0.572 25834 3686 1 4 . 1 1 157 157 SER H H 157 8.371 8.371 8.319 0.052 25834 3687 1 4 . 1 1 158 158 ILE N N 158 126.089 126.089 119.186 6.903 25834 3688 1 4 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.435 0.384 25834 3689 1 4 . 1 1 158 158 ILE C C 158 174.471 174.471 174.069 0.402 25834 3690 1 4 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.509 -0.460 25834 3691 1 4 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.861 0.573 25834 3692 1 4 . 1 1 158 158 ILE H H 158 9.601 9.601 8.460 1.141 25834 3693 1 4 . 1 1 159 159 GLN N N 159 123.323 123.323 121.167 2.156 25834 3694 1 4 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.881 -0.320 25834 3695 1 4 . 1 1 159 159 GLN C C 159 174.219 174.219 173.869 0.350 25834 3696 1 4 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.358 0.746 25834 3697 1 4 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.121 0.506 25834 3698 1 4 . 1 1 159 159 GLN H H 159 8.290 8.290 8.869 -0.579 25834 3699 1 4 . 1 1 160 160 PHE N N 160 124.084 124.084 119.790 4.294 25834 3700 1 4 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.772 -0.208 25834 3701 1 4 . 1 1 160 160 PHE C C 160 174.368 174.368 174.376 -0.008 25834 3702 1 4 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.290 0.125 25834 3703 1 4 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.464 -0.787 25834 3704 1 4 . 1 1 160 160 PHE H H 160 9.622 9.622 8.871 0.751 25834 3705 1 4 . 1 1 161 161 GLY N N 161 108.516 108.516 113.691 -5.175 25834 3706 1 4 . 1 1 161 161 GLY C C 161 173.064 173.064 173.216 -0.152 25834 3707 1 4 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.815 0.357 25834 3708 1 4 . 1 1 161 161 GLY H H 161 8.409 8.409 7.847 0.562 25834 3709 1 4 . 1 1 162 162 PHE N N 162 123.240 123.240 121.947 1.293 25834 3710 1 4 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.719 0.222 25834 3711 1 4 . 1 1 162 162 PHE C C 162 175.982 175.982 175.246 0.736 25834 3712 1 4 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.649 -2.588 25834 3713 1 4 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.949 -1.857 25834 3714 1 4 . 1 1 162 162 PHE H H 162 8.848 8.848 7.847 1.001 25834 3715 1 4 . 1 1 163 163 SER N N 163 113.673 113.673 115.619 -1.946 25834 3716 1 4 . 1 1 163 163 SER HA H 163 4.001 4.001 3.597 0.404 25834 3717 1 4 . 1 1 163 163 SER C C 163 176.303 176.303 174.305 1.998 25834 3718 1 4 . 1 1 163 163 SER CA C 163 58.004 58.004 58.421 -0.417 25834 3719 1 4 . 1 1 163 163 SER CB C 163 62.297 62.297 63.676 -1.379 25834 3720 1 4 . 1 1 163 163 SER H H 163 7.071 7.071 6.914 0.157 25834 3721 1 4 . 1 1 164 164 SER N N 164 126.213 126.213 116.898 9.315 25834 3722 1 4 . 1 1 164 164 SER HA H 164 4.188 4.188 4.368 -0.180 25834 3723 1 4 . 1 1 164 164 SER C C 164 174.499 174.499 174.841 -0.342 25834 3724 1 4 . 1 1 164 164 SER CA C 164 59.606 59.606 59.711 -0.105 25834 3725 1 4 . 1 1 164 164 SER CB C 164 63.841 63.841 63.425 0.416 25834 3726 1 4 . 1 1 164 164 SER H H 164 9.901 9.901 8.674 1.227 25834 3727 1 4 . 1 1 165 165 ARG N N 165 122.909 122.909 120.022 2.887 25834 3728 1 4 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.399 -0.179 25834 3729 1 4 . 1 1 165 165 ARG C C 165 175.560 175.560 175.756 -0.196 25834 3730 1 4 . 1 1 165 165 ARG CA C 165 57.449 57.449 55.569 1.880 25834 3731 1 4 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.742 0.249 25834 3732 1 4 . 1 1 165 165 ARG H H 165 8.096 8.096 7.327 0.769 25834 3733 1 4 . 1 1 166 166 VAL N N 166 123.934 123.934 119.705 4.229 25834 3734 1 4 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.100 0.058 25834 3735 1 4 . 1 1 166 166 VAL C C 166 174.398 174.398 174.345 0.053 25834 3736 1 4 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.845 1.198 25834 3737 1 4 . 1 1 166 166 VAL CB C 166 33.399 33.399 35.528 -2.129 25834 3738 1 4 . 1 1 166 166 VAL H H 166 8.756 8.756 7.981 0.775 25834 3739 1 4 . 1 1 167 167 TYR N N 167 126.353 126.353 124.844 1.509 25834 3740 1 4 . 1 1 167 167 TYR HA H 167 5.202 5.202 4.982 0.220 25834 3741 1 4 . 1 1 167 167 TYR C C 167 174.823 174.823 175.177 -0.354 25834 3742 1 4 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.530 -0.627 25834 3743 1 4 . 1 1 167 167 TYR CB C 167 39.856 39.856 37.971 1.885 25834 3744 1 4 . 1 1 167 167 TYR H H 167 8.637 8.637 8.164 0.473 25834 3745 1 4 . 1 1 168 168 LYS N N 168 123.312 123.312 125.991 -2.679 25834 3746 1 4 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.774 0.712 25834 3747 1 4 . 1 1 168 168 LYS C C 168 176.634 176.634 175.357 1.277 25834 3748 1 4 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.541 -0.629 25834 3749 1 4 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.923 1.979 25834 3750 1 4 . 1 1 168 168 LYS H H 168 9.005 9.005 8.856 0.149 25834 3751 1 4 . 1 1 169 169 VAL N N 169 125.863 125.863 126.228 -0.365 25834 3752 1 4 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.342 -0.524 25834 3753 1 4 . 1 1 169 169 VAL C C 169 175.804 175.804 175.660 0.144 25834 3754 1 4 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.555 1.300 25834 3755 1 4 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.415 -1.478 25834 3756 1 4 . 1 1 169 169 VAL H H 169 8.305 8.305 8.256 0.049 25834 3757 1 4 . 1 1 170 170 GLN N N 170 129.871 129.871 123.193 6.678 25834 3758 1 4 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.552 0.315 25834 3759 1 4 . 1 1 170 170 GLN C C 170 174.293 174.293 172.938 1.355 25834 3760 1 4 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.035 -1.217 25834 3761 1 4 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.206 -0.526 25834 3762 1 4 . 1 1 170 170 GLN H H 170 9.124 9.124 8.094 1.030 25834 3763 1 4 . 1 1 171 171 LEU N N 171 122.168 122.168 124.028 -1.860 25834 3764 1 4 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.605 -0.113 25834 3765 1 4 . 1 1 171 171 LEU C C 171 177.672 177.672 176.594 1.078 25834 3766 1 4 . 1 1 171 171 LEU CA C 171 55.951 55.951 53.799 2.152 25834 3767 1 4 . 1 1 171 171 LEU CB C 171 44.023 44.023 44.159 -0.136 25834 3768 1 4 . 1 1 171 171 LEU H H 171 8.569 8.569 8.317 0.252 25834 3769 1 4 . 1 1 172 172 GLY N N 172 111.174 111.174 113.247 -2.073 25834 3770 1 4 . 1 1 172 172 GLY C C 172 171.895 171.895 173.512 -1.617 25834 3771 1 4 . 1 1 172 172 GLY CA C 172 44.179 44.179 44.155 0.024 25834 3772 1 4 . 1 1 172 172 GLY H H 172 8.588 8.588 8.202 0.386 25834 3773 1 4 . 1 1 175 175 SER N N 175 115.756 115.756 116.040 -0.284 25834 3774 1 4 . 1 1 175 175 SER HA H 175 4.274 4.274 4.520 -0.246 25834 3775 1 4 . 1 1 175 175 SER C C 175 174.314 174.314 173.610 0.704 25834 3776 1 4 . 1 1 175 175 SER CA C 175 57.998 57.998 58.577 -0.579 25834 3777 1 4 . 1 1 175 175 SER CB C 175 63.886 63.886 61.828 2.058 25834 3778 1 4 . 1 1 175 175 SER H H 175 7.661 7.661 8.454 -0.793 25834 3779 1 4 . 1 1 176 176 SER N N 176 117.882 117.882 117.257 0.625 25834 3780 1 4 . 1 1 176 176 SER HA H 176 4.698 4.698 4.645 0.053 25834 3781 1 4 . 1 1 176 176 SER C C 176 173.521 173.521 173.398 0.123 25834 3782 1 4 . 1 1 176 176 SER CA C 176 58.601 58.601 57.714 0.888 25834 3783 1 4 . 1 1 176 176 SER CB C 176 64.242 64.242 64.338 -0.096 25834 3784 1 4 . 1 1 176 176 SER H H 176 8.265 8.265 7.841 0.424 25834 3785 1 5 . 1 1 1 1 MET N N 1 121.215 121.215 121.731 -0.516 25834 3786 1 5 . 1 1 1 1 MET HA H 1 4.416 4.416 4.694 -0.278 25834 3787 1 5 . 1 1 1 1 MET C C 1 176.061 176.061 175.546 0.515 25834 3788 1 5 . 1 1 1 1 MET CA C 1 55.827 55.827 54.618 1.208 25834 3789 1 5 . 1 1 1 1 MET CB C 1 32.869 32.869 35.153 -2.284 25834 3790 1 5 . 1 1 1 1 MET H H 1 8.477 8.477 8.406 0.071 25834 3791 1 5 . 1 1 2 2 VAL N N 2 122.483 122.483 121.810 0.673 25834 3792 1 5 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.417 -0.250 25834 3793 1 5 . 1 1 2 2 VAL C C 2 176.225 176.225 175.640 0.585 25834 3794 1 5 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.189 -0.033 25834 3795 1 5 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.699 0.156 25834 3796 1 5 . 1 1 2 2 VAL H H 2 8.213 8.213 8.470 -0.257 25834 3797 1 5 . 1 1 3 3 THR N N 3 117.952 117.952 119.164 -1.212 25834 3798 1 5 . 1 1 3 3 THR HA H 3 4.353 4.353 4.648 -0.295 25834 3799 1 5 . 1 1 3 3 THR C C 3 174.614 174.614 173.898 0.716 25834 3800 1 5 . 1 1 3 3 THR CA C 3 61.571 61.571 61.482 0.089 25834 3801 1 5 . 1 1 3 3 THR CB C 3 69.948 69.948 69.812 0.136 25834 3802 1 5 . 1 1 3 3 THR H H 3 8.228 8.228 8.072 0.156 25834 3803 1 5 . 1 1 4 4 SER N N 4 118.076 118.076 116.962 1.114 25834 3804 1 5 . 1 1 4 4 SER HA H 4 4.490 4.490 4.600 -0.110 25834 3805 1 5 . 1 1 4 4 SER C C 4 174.867 174.867 174.538 0.329 25834 3806 1 5 . 1 1 4 4 SER CA C 4 58.451 58.451 57.767 0.684 25834 3807 1 5 . 1 1 4 4 SER CB C 4 63.853 63.853 64.048 -0.195 25834 3808 1 5 . 1 1 4 4 SER H H 4 8.350 8.350 8.684 -0.334 25834 3809 1 5 . 1 1 5 5 THR N N 5 115.176 115.176 112.930 2.246 25834 3810 1 5 . 1 1 5 5 THR HA H 5 4.277 4.277 4.452 -0.175 25834 3811 1 5 . 1 1 5 5 THR C C 5 175.173 175.173 174.760 0.413 25834 3812 1 5 . 1 1 5 5 THR CA C 5 62.114 62.114 61.530 0.584 25834 3813 1 5 . 1 1 5 5 THR CB C 5 69.702 69.702 69.497 0.205 25834 3814 1 5 . 1 1 5 5 THR H H 5 8.125 8.125 8.209 -0.084 25834 3815 1 5 . 1 1 6 6 GLY N N 6 110.725 110.725 111.570 -0.845 25834 3816 1 5 . 1 1 6 6 GLY C C 6 173.939 173.939 174.646 -0.707 25834 3817 1 5 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.489 -0.236 25834 3818 1 5 . 1 1 6 6 GLY H H 6 8.289 8.289 7.761 0.528 25834 3819 1 5 . 1 1 7 7 LEU N N 7 121.627 121.627 121.877 -0.250 25834 3820 1 5 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.299 -0.053 25834 3821 1 5 . 1 1 7 7 LEU C C 7 177.317 177.317 176.732 0.585 25834 3822 1 5 . 1 1 7 7 LEU CA C 7 55.509 55.509 54.688 0.821 25834 3823 1 5 . 1 1 7 7 LEU CB C 7 42.507 42.507 39.685 2.822 25834 3824 1 5 . 1 1 7 7 LEU H H 7 7.984 7.984 7.744 0.240 25834 3825 1 5 . 1 1 8 8 LEU N N 8 122.317 122.317 127.946 -5.629 25834 3826 1 5 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.342 -0.038 25834 3827 1 5 . 1 1 8 8 LEU CA C 8 55.289 55.289 55.158 0.131 25834 3828 1 5 . 1 1 8 8 LEU CB C 8 42.314 42.314 42.353 -0.039 25834 3829 1 5 . 1 1 8 8 LEU H H 8 8.163 8.163 8.154 0.009 25834 3830 1 5 . 1 1 9 9 SER N N 9 116.218 116.218 120.429 -4.211 25834 3831 1 5 . 1 1 9 9 SER HA H 9 4.315 4.315 4.626 -0.311 25834 3832 1 5 . 1 1 9 9 SER CA C 9 58.253 58.253 57.795 0.458 25834 3833 1 5 . 1 1 9 9 SER CB C 9 63.786 63.786 63.968 -0.182 25834 3834 1 5 . 1 1 9 9 SER H H 9 8.088 8.088 8.492 -0.404 25834 3835 1 5 . 1 1 10 10 ARG N N 10 122.939 122.939 124.373 -1.434 25834 3836 1 5 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.478 -0.173 25834 3837 1 5 . 1 1 10 10 ARG C C 10 177.734 177.734 175.637 2.097 25834 3838 1 5 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.537 0.752 25834 3839 1 5 . 1 1 10 10 ARG CB C 10 30.591 30.591 30.966 -0.375 25834 3840 1 5 . 1 1 10 10 ARG H H 10 8.211 8.211 8.473 -0.262 25834 3841 1 5 . 1 1 11 11 VAL N N 11 120.980 120.980 120.570 0.410 25834 3842 1 5 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.225 -0.220 25834 3843 1 5 . 1 1 11 11 VAL C C 11 175.793 175.793 176.297 -0.504 25834 3844 1 5 . 1 1 11 11 VAL CA C 11 62.353 62.353 62.064 0.289 25834 3845 1 5 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.034 -0.366 25834 3846 1 5 . 1 1 11 11 VAL H H 11 8.006 8.006 8.476 -0.470 25834 3847 1 5 . 1 1 12 12 ALA N N 12 127.736 127.736 129.485 -1.749 25834 3848 1 5 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.311 -0.079 25834 3849 1 5 . 1 1 12 12 ALA C C 12 177.174 177.174 175.935 1.239 25834 3850 1 5 . 1 1 12 12 ALA CA C 12 52.429 52.429 52.228 0.201 25834 3851 1 5 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.447 -0.220 25834 3852 1 5 . 1 1 12 12 ALA H H 12 8.246 8.246 8.535 -0.289 25834 3853 1 5 . 1 1 13 13 ALA N N 13 123.061 123.061 122.944 0.117 25834 3854 1 5 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.630 -0.393 25834 3855 1 5 . 1 1 13 13 ALA C C 13 177.800 177.800 176.286 1.514 25834 3856 1 5 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.453 0.992 25834 3857 1 5 . 1 1 13 13 ALA CB C 13 19.115 19.115 20.464 -1.349 25834 3858 1 5 . 1 1 13 13 ALA H H 13 8.158 8.158 8.214 -0.056 25834 3859 1 5 . 1 1 14 14 VAL N N 14 119.391 119.391 121.044 -1.653 25834 3860 1 5 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.218 -0.218 25834 3861 1 5 . 1 1 14 14 VAL C C 14 176.284 176.284 175.146 1.138 25834 3862 1 5 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.385 -0.048 25834 3863 1 5 . 1 1 14 14 VAL CB C 14 32.739 32.739 32.514 0.225 25834 3864 1 5 . 1 1 14 14 VAL H H 14 7.988 7.988 8.372 -0.384 25834 3865 1 5 . 1 1 15 15 GLU N N 15 124.744 124.744 127.736 -2.992 25834 3866 1 5 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.618 -0.418 25834 3867 1 5 . 1 1 15 15 GLU C C 15 176.542 176.542 175.261 1.281 25834 3868 1 5 . 1 1 15 15 GLU CA C 15 56.541 56.541 56.177 0.364 25834 3869 1 5 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.509 0.019 25834 3870 1 5 . 1 1 15 15 GLU H H 15 8.369 8.369 8.759 -0.390 25834 3871 1 5 . 1 1 16 16 LYS N N 16 122.786 122.786 123.796 -1.010 25834 3872 1 5 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.567 -0.370 25834 3873 1 5 . 1 1 16 16 LYS C C 16 176.218 176.218 175.953 0.265 25834 3874 1 5 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.830 0.423 25834 3875 1 5 . 1 1 16 16 LYS CB C 16 32.898 32.898 33.868 -0.970 25834 3876 1 5 . 1 1 16 16 LYS H H 16 8.264 8.264 8.512 -0.248 25834 3877 1 5 . 1 1 17 17 ALA N N 17 125.458 125.458 123.910 1.548 25834 3878 1 5 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.775 -0.591 25834 3879 1 5 . 1 1 17 17 ALA C C 17 177.579 177.579 176.293 1.286 25834 3880 1 5 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.866 0.650 25834 3881 1 5 . 1 1 17 17 ALA CB C 17 19.105 19.105 19.211 -0.106 25834 3882 1 5 . 1 1 17 17 ALA H H 17 8.226 8.226 8.518 -0.292 25834 3883 1 5 . 1 1 18 18 ALA N N 18 123.616 123.616 125.887 -2.271 25834 3884 1 5 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.376 -0.152 25834 3885 1 5 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.787 0.733 25834 3886 1 5 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.296 -1.169 25834 3887 1 5 . 1 1 18 18 ALA H H 18 8.153 8.153 8.368 -0.215 25834 3888 1 5 . 1 1 19 19 GLU N N 19 120.282 120.282 122.455 -2.173 25834 3889 1 5 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.327 -0.128 25834 3890 1 5 . 1 1 19 19 GLU CA C 19 56.370 56.370 56.602 -0.232 25834 3891 1 5 . 1 1 19 19 GLU CB C 19 30.637 30.637 29.560 1.077 25834 3892 1 5 . 1 1 19 19 GLU H H 19 8.209 8.209 8.478 -0.269 25834 3893 1 5 . 1 1 20 20 ILE N N 20 122.046 122.046 123.737 -1.691 25834 3894 1 5 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.255 -0.195 25834 3895 1 5 . 1 1 20 20 ILE C C 20 175.806 175.806 175.919 -0.113 25834 3896 1 5 . 1 1 20 20 ILE CA C 20 60.980 60.980 60.660 0.320 25834 3897 1 5 . 1 1 20 20 ILE CB C 20 38.690 38.690 39.159 -0.469 25834 3898 1 5 . 1 1 20 20 ILE H H 20 8.038 8.038 8.098 -0.060 25834 3899 1 5 . 1 1 21 21 ALA N N 21 128.175 128.175 129.604 -1.429 25834 3900 1 5 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.298 -0.113 25834 3901 1 5 . 1 1 21 21 ALA C C 21 175.942 175.942 177.629 -1.687 25834 3902 1 5 . 1 1 21 21 ALA CA C 21 52.447 52.447 52.102 0.345 25834 3903 1 5 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.314 -0.017 25834 3904 1 5 . 1 1 21 21 ALA H H 21 8.224 8.224 8.366 -0.142 25834 3905 1 5 . 1 1 22 22 LYS N N 22 120.107 120.107 124.424 -4.317 25834 3906 1 5 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.307 -0.080 25834 3907 1 5 . 1 1 22 22 LYS C C 22 174.303 174.303 175.451 -1.148 25834 3908 1 5 . 1 1 22 22 LYS CA C 22 53.397 53.397 55.420 -2.023 25834 3909 1 5 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.358 2.101 25834 3910 1 5 . 1 1 22 22 LYS H H 22 7.903 7.903 8.422 -0.519 25834 3911 1 5 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.504 -0.161 25834 3912 1 5 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.752 -0.059 25834 3913 1 5 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.611 -0.551 25834 3914 1 5 . 1 1 27 27 LYS N N 27 121.752 121.752 119.039 2.713 25834 3915 1 5 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.549 -0.335 25834 3916 1 5 . 1 1 27 27 LYS C C 27 176.450 176.450 175.873 0.577 25834 3917 1 5 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.298 0.911 25834 3918 1 5 . 1 1 27 27 LYS CB C 27 32.935 32.935 33.872 -0.937 25834 3919 1 5 . 1 1 27 27 LYS H H 27 8.253 8.253 8.285 -0.032 25834 3920 1 5 . 1 1 28 28 VAL N N 28 123.000 123.000 119.906 3.094 25834 3921 1 5 . 1 1 28 28 VAL HA H 28 4.004 4.004 4.039 -0.035 25834 3922 1 5 . 1 1 28 28 VAL C C 28 175.672 175.672 175.581 0.091 25834 3923 1 5 . 1 1 28 28 VAL CA C 28 62.268 62.268 62.973 -0.705 25834 3924 1 5 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.550 0.332 25834 3925 1 5 . 1 1 28 28 VAL H H 28 8.128 8.128 8.264 -0.136 25834 3926 1 5 . 1 1 29 29 VAL N N 29 126.899 126.899 124.760 2.139 25834 3927 1 5 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.328 -0.457 25834 3928 1 5 . 1 1 29 29 VAL C C 29 174.835 174.835 175.823 -0.988 25834 3929 1 5 . 1 1 29 29 VAL CA C 29 62.288 62.288 61.058 1.230 25834 3930 1 5 . 1 1 29 29 VAL CB C 29 32.811 32.811 34.938 -2.127 25834 3931 1 5 . 1 1 29 29 VAL H H 29 8.144 8.144 8.084 0.060 25834 3932 1 5 . 1 1 30 30 GLU N N 30 125.745 125.745 122.510 3.235 25834 3933 1 5 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.276 -0.089 25834 3934 1 5 . 1 1 30 30 GLU C C 30 177.203 177.203 176.671 0.532 25834 3935 1 5 . 1 1 30 30 GLU CA C 30 55.688 55.688 56.362 -0.674 25834 3936 1 5 . 1 1 30 30 GLU CB C 30 30.501 30.501 30.380 0.121 25834 3937 1 5 . 1 1 30 30 GLU H H 30 8.239 8.239 8.483 -0.244 25834 3938 1 5 . 1 1 31 31 LEU N N 31 125.229 125.229 118.892 6.337 25834 3939 1 5 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.242 0.585 25834 3940 1 5 . 1 1 31 31 LEU C C 31 178.237 178.237 177.083 1.154 25834 3941 1 5 . 1 1 31 31 LEU CA C 31 54.633 54.633 55.694 -1.061 25834 3942 1 5 . 1 1 31 31 LEU CB C 31 43.356 43.356 41.890 1.466 25834 3943 1 5 . 1 1 31 31 LEU H H 31 8.513 8.513 8.328 0.185 25834 3944 1 5 . 1 1 32 32 THR N N 32 113.162 113.162 116.400 -3.238 25834 3945 1 5 . 1 1 32 32 THR HA H 32 4.184 4.184 4.418 -0.234 25834 3946 1 5 . 1 1 32 32 THR C C 32 174.923 174.923 175.504 -0.581 25834 3947 1 5 . 1 1 32 32 THR CA C 32 61.002 61.002 60.967 0.035 25834 3948 1 5 . 1 1 32 32 THR CB C 32 70.848 70.848 70.294 0.554 25834 3949 1 5 . 1 1 32 32 THR H H 32 8.444 8.444 7.805 0.639 25834 3950 1 5 . 1 1 33 33 GLU N N 33 119.849 119.849 120.763 -0.914 25834 3951 1 5 . 1 1 33 33 GLU HA H 33 3.756 3.756 3.972 -0.216 25834 3952 1 5 . 1 1 33 33 GLU C C 33 178.906 178.906 178.530 0.376 25834 3953 1 5 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.228 0.627 25834 3954 1 5 . 1 1 33 33 GLU CB C 33 28.903 28.903 28.919 -0.016 25834 3955 1 5 . 1 1 33 33 GLU H H 33 8.614 8.614 8.795 -0.181 25834 3956 1 5 . 1 1 34 34 ALA N N 34 118.382 118.382 122.325 -3.943 25834 3957 1 5 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.223 -0.253 25834 3958 1 5 . 1 1 34 34 ALA C C 34 180.554 180.554 179.444 1.110 25834 3959 1 5 . 1 1 34 34 ALA CA C 34 54.583 54.583 54.186 0.397 25834 3960 1 5 . 1 1 34 34 ALA CB C 34 18.776 18.776 17.840 0.936 25834 3961 1 5 . 1 1 34 34 ALA H H 34 8.102 8.102 8.318 -0.216 25834 3962 1 5 . 1 1 35 35 ALA N N 35 121.658 121.658 119.593 2.065 25834 3963 1 5 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.127 -0.282 25834 3964 1 5 . 1 1 35 35 ALA C C 35 178.231 178.231 179.020 -0.789 25834 3965 1 5 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.768 -0.262 25834 3966 1 5 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.438 0.707 25834 3967 1 5 . 1 1 35 35 ALA H H 35 7.456 7.456 8.366 -0.910 25834 3968 1 5 . 1 1 36 36 LYS N N 36 114.479 114.479 116.378 -1.899 25834 3969 1 5 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.141 -0.285 25834 3970 1 5 . 1 1 36 36 LYS C C 36 176.884 176.884 178.313 -1.429 25834 3971 1 5 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.581 0.219 25834 3972 1 5 . 1 1 36 36 LYS CB C 36 32.820 32.820 32.389 0.431 25834 3973 1 5 . 1 1 36 36 LYS H H 36 7.897 7.897 7.505 0.392 25834 3974 1 5 . 1 1 37 37 GLN N N 37 114.203 114.203 117.234 -3.031 25834 3975 1 5 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.181 0.019 25834 3976 1 5 . 1 1 37 37 GLN C C 37 176.478 176.478 176.979 -0.501 25834 3977 1 5 . 1 1 37 37 GLN CA C 37 55.119 55.119 57.496 -2.377 25834 3978 1 5 . 1 1 37 37 GLN CB C 37 28.383 28.383 29.500 -1.117 25834 3979 1 5 . 1 1 37 37 GLN H H 37 6.970 6.970 7.546 -0.576 25834 3980 1 5 . 1 1 38 38 LEU N N 38 120.478 120.478 121.072 -0.594 25834 3981 1 5 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.837 -0.992 25834 3982 1 5 . 1 1 38 38 LEU C C 38 171.820 171.820 174.795 -2.975 25834 3983 1 5 . 1 1 38 38 LEU CA C 38 53.862 53.862 51.990 1.872 25834 3984 1 5 . 1 1 38 38 LEU CB C 38 40.017 40.017 40.722 -0.706 25834 3985 1 5 . 1 1 38 38 LEU H H 38 7.155 7.155 8.153 -0.998 25834 3986 1 5 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.515 -0.190 25834 3987 1 5 . 1 1 39 39 PRO CA C 39 62.950 62.950 61.913 1.037 25834 3988 1 5 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.372 -0.290 25834 3989 1 5 . 1 1 40 40 GLN N N 40 125.695 125.695 117.250 8.445 25834 3990 1 5 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.064 -0.281 25834 3991 1 5 . 1 1 40 40 GLN C C 40 177.994 177.994 177.500 0.494 25834 3992 1 5 . 1 1 40 40 GLN CA C 40 59.489 59.489 56.564 2.925 25834 3993 1 5 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.172 -1.045 25834 3994 1 5 . 1 1 40 40 GLN H H 40 9.245 9.245 8.357 0.888 25834 3995 1 5 . 1 1 41 41 HIS N N 41 125.870 125.870 118.927 6.943 25834 3996 1 5 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.301 0.228 25834 3997 1 5 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.781 -1.373 25834 3998 1 5 . 1 1 41 41 HIS CB C 41 29.389 29.389 30.000 -0.611 25834 3999 1 5 . 1 1 41 41 HIS H H 41 11.289 11.289 8.708 2.581 25834 4000 1 5 . 1 1 42 42 ILE N N 42 119.609 119.609 115.423 4.186 25834 4001 1 5 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.877 -0.010 25834 4002 1 5 . 1 1 42 42 ILE C C 42 178.715 178.715 177.184 1.531 25834 4003 1 5 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.374 -3.251 25834 4004 1 5 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.266 -1.718 25834 4005 1 5 . 1 1 42 42 ILE H H 42 6.700 6.700 7.773 -1.073 25834 4006 1 5 . 1 1 43 43 ILE N N 43 122.532 122.532 120.295 2.237 25834 4007 1 5 . 1 1 43 43 ILE HA H 43 3.499 3.499 4.125 -0.626 25834 4008 1 5 . 1 1 43 43 ILE C C 43 178.325 178.325 178.547 -0.222 25834 4009 1 5 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.064 2.473 25834 4010 1 5 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.426 0.812 25834 4011 1 5 . 1 1 43 43 ILE H H 43 7.673 7.673 7.862 -0.189 25834 4012 1 5 . 1 1 44 44 GLY N N 44 101.559 101.559 108.457 -6.898 25834 4013 1 5 . 1 1 44 44 GLY C C 44 174.914 174.914 174.905 0.009 25834 4014 1 5 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.980 -0.617 25834 4015 1 5 . 1 1 44 44 GLY H H 44 7.938 7.938 8.176 -0.238 25834 4016 1 5 . 1 1 45 45 VAL N N 45 106.862 106.862 119.592 -12.730 25834 4017 1 5 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.444 0.314 25834 4018 1 5 . 1 1 45 45 VAL C C 45 175.397 175.397 175.696 -0.299 25834 4019 1 5 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.286 -1.755 25834 4020 1 5 . 1 1 45 45 VAL CB C 45 33.024 33.024 33.196 -0.172 25834 4021 1 5 . 1 1 45 45 VAL H H 45 6.843 6.843 7.286 -0.443 25834 4022 1 5 . 1 1 46 46 THR N N 46 117.226 117.226 114.429 2.797 25834 4023 1 5 . 1 1 46 46 THR HA H 46 4.447 4.447 4.409 0.038 25834 4024 1 5 . 1 1 46 46 THR C C 46 172.087 172.087 173.816 -1.729 25834 4025 1 5 . 1 1 46 46 THR CA C 46 62.571 62.571 61.933 0.638 25834 4026 1 5 . 1 1 46 46 THR CB C 46 68.863 68.863 69.985 -1.122 25834 4027 1 5 . 1 1 46 46 THR H H 46 7.093 7.093 7.312 -0.219 25834 4028 1 5 . 1 1 47 47 ASP N N 47 127.436 127.436 121.887 5.549 25834 4029 1 5 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.814 -0.197 25834 4030 1 5 . 1 1 47 47 ASP C C 47 174.684 174.684 176.866 -2.182 25834 4031 1 5 . 1 1 47 47 ASP CA C 47 52.604 52.604 52.414 0.189 25834 4032 1 5 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.820 0.917 25834 4033 1 5 . 1 1 47 47 ASP H H 47 7.612 7.612 8.502 -0.890 25834 4034 1 5 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.393 -0.404 25834 4035 1 5 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.073 -0.046 25834 4036 1 5 . 1 1 48 48 PRO CB C 48 32.280 32.280 31.988 0.291 25834 4037 1 5 . 1 1 49 49 THR N N 49 114.121 114.121 112.062 2.059 25834 4038 1 5 . 1 1 49 49 THR HA H 49 4.189 4.189 4.351 -0.162 25834 4039 1 5 . 1 1 49 49 THR C C 49 177.000 177.000 176.127 0.873 25834 4040 1 5 . 1 1 49 49 THR CA C 49 66.844 66.844 64.449 2.395 25834 4041 1 5 . 1 1 49 49 THR CB C 49 67.824 67.824 69.049 -1.225 25834 4042 1 5 . 1 1 49 49 THR H H 49 7.942 7.942 8.457 -0.515 25834 4043 1 5 . 1 1 50 50 LYS N N 50 123.787 123.787 122.576 1.211 25834 4044 1 5 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.282 -0.365 25834 4045 1 5 . 1 1 50 50 LYS C C 50 177.547 177.547 178.556 -1.009 25834 4046 1 5 . 1 1 50 50 LYS CA C 50 58.732 58.732 59.084 -0.352 25834 4047 1 5 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.533 0.782 25834 4048 1 5 . 1 1 50 50 LYS H H 50 7.070 7.070 7.803 -0.733 25834 4049 1 5 . 1 1 51 51 LEU N N 51 115.307 115.307 117.358 -2.051 25834 4050 1 5 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.146 -0.341 25834 4051 1 5 . 1 1 51 51 LEU C C 51 178.314 178.314 177.437 0.877 25834 4052 1 5 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.320 0.674 25834 4053 1 5 . 1 1 51 51 LEU CB C 51 41.216 41.216 40.890 0.326 25834 4054 1 5 . 1 1 51 51 LEU H H 51 7.439 7.439 7.902 -0.463 25834 4055 1 5 . 1 1 52 52 ASN N N 52 115.979 115.979 117.873 -1.894 25834 4056 1 5 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.567 -0.295 25834 4057 1 5 . 1 1 52 52 ASN C C 52 178.387 178.387 177.567 0.820 25834 4058 1 5 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.273 -0.107 25834 4059 1 5 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.637 -0.746 25834 4060 1 5 . 1 1 52 52 ASN H H 52 8.533 8.533 8.002 0.531 25834 4061 1 5 . 1 1 53 53 ALA N N 53 119.261 119.261 121.812 -2.551 25834 4062 1 5 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.237 -0.007 25834 4063 1 5 . 1 1 53 53 ALA C C 53 179.957 179.957 178.576 1.381 25834 4064 1 5 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.134 -0.097 25834 4065 1 5 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.410 0.912 25834 4066 1 5 . 1 1 53 53 ALA H H 53 7.681 7.681 7.361 0.320 25834 4067 1 5 . 1 1 54 54 GLN N N 54 111.586 111.586 115.806 -4.220 25834 4068 1 5 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.165 0.241 25834 4069 1 5 . 1 1 54 54 GLN C C 54 178.500 178.500 177.553 0.947 25834 4070 1 5 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.411 0.382 25834 4071 1 5 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.046 0.385 25834 4072 1 5 . 1 1 54 54 GLN H H 54 7.905 7.905 7.612 0.293 25834 4073 1 5 . 1 1 55 55 VAL N N 55 120.362 120.362 120.257 0.105 25834 4074 1 5 . 1 1 55 55 VAL HA H 55 4.205 4.205 3.685 0.520 25834 4075 1 5 . 1 1 55 55 VAL C C 55 174.795 174.795 177.449 -2.654 25834 4076 1 5 . 1 1 55 55 VAL CA C 55 64.682 64.682 65.825 -1.143 25834 4077 1 5 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.416 -1.030 25834 4078 1 5 . 1 1 55 55 VAL H H 55 8.137 8.137 7.472 0.665 25834 4079 1 5 . 1 1 56 56 SER N N 56 114.478 114.478 114.064 0.414 25834 4080 1 5 . 1 1 56 56 SER HA H 56 3.882 3.882 4.137 -0.255 25834 4081 1 5 . 1 1 56 56 SER C C 56 174.256 174.256 175.247 -0.991 25834 4082 1 5 . 1 1 56 56 SER CA C 56 60.480 60.480 60.873 -0.393 25834 4083 1 5 . 1 1 56 56 SER CB C 56 62.427 62.427 63.106 -0.680 25834 4084 1 5 . 1 1 56 56 SER H H 56 7.899 7.899 8.118 -0.219 25834 4085 1 5 . 1 1 57 57 TYR N N 57 117.315 117.315 118.604 -1.289 25834 4086 1 5 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.546 -0.209 25834 4087 1 5 . 1 1 57 57 TYR C C 57 175.570 175.570 175.297 0.273 25834 4088 1 5 . 1 1 57 57 TYR CA C 57 58.673 58.673 59.046 -0.373 25834 4089 1 5 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.199 0.065 25834 4090 1 5 . 1 1 57 57 TYR H H 57 7.662 7.662 7.389 0.273 25834 4091 1 5 . 1 1 58 58 PHE N N 58 118.544 118.544 114.235 4.309 25834 4092 1 5 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.707 -0.301 25834 4093 1 5 . 1 1 58 58 PHE C C 58 171.715 171.715 173.575 -1.860 25834 4094 1 5 . 1 1 58 58 PHE CA C 58 57.489 57.489 57.040 0.449 25834 4095 1 5 . 1 1 58 58 PHE CB C 58 41.401 41.401 39.566 1.835 25834 4096 1 5 . 1 1 58 58 PHE H H 58 7.727 7.727 7.649 0.079 25834 4097 1 5 . 1 1 59 59 GLN N N 59 127.699 127.699 120.154 7.545 25834 4098 1 5 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.587 -0.870 25834 4099 1 5 . 1 1 59 59 GLN C C 59 172.421 172.421 176.188 -3.767 25834 4100 1 5 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.174 0.038 25834 4101 1 5 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.768 -3.824 25834 4102 1 5 . 1 1 59 59 GLN H H 59 7.909 7.909 8.234 -0.325 25834 4103 1 5 . 1 1 60 60 CYS N N 60 125.668 125.668 124.125 1.543 25834 4104 1 5 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.532 -1.254 25834 4105 1 5 . 1 1 60 60 CYS C C 60 171.317 171.317 174.033 -2.716 25834 4106 1 5 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.337 1.087 25834 4107 1 5 . 1 1 60 60 CYS CB C 60 26.588 26.588 27.264 -0.676 25834 4108 1 5 . 1 1 60 60 CYS H H 60 6.802 6.802 8.723 -1.921 25834 4109 1 5 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.241 -0.139 25834 4110 1 5 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.811 -0.341 25834 4111 1 5 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.872 -0.251 25834 4112 1 5 . 1 1 63 63 TRP N N 63 110.609 110.609 114.982 -4.373 25834 4113 1 5 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.602 -0.170 25834 4114 1 5 . 1 1 63 63 TRP C C 63 176.764 176.764 174.823 1.941 25834 4115 1 5 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.449 -1.440 25834 4116 1 5 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.308 0.050 25834 4117 1 5 . 1 1 63 63 TRP H H 63 6.172 6.172 7.372 -1.200 25834 4118 1 5 . 1 1 64 64 ALA N N 64 124.983 124.983 121.515 3.468 25834 4119 1 5 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.518 0.898 25834 4120 1 5 . 1 1 64 64 ALA C C 64 176.025 176.025 176.966 -0.941 25834 4121 1 5 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.468 0.170 25834 4122 1 5 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.313 2.042 25834 4123 1 5 . 1 1 64 64 ALA H H 64 7.038 7.038 6.604 0.434 25834 4124 1 5 . 1 1 65 65 ALA N N 65 120.111 120.111 122.750 -2.639 25834 4125 1 5 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.005 0.600 25834 4126 1 5 . 1 1 65 65 ALA C C 65 175.012 175.012 176.519 -1.507 25834 4127 1 5 . 1 1 65 65 ALA CA C 65 50.868 50.868 52.941 -2.072 25834 4128 1 5 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.623 6.099 25834 4129 1 5 . 1 1 65 65 ALA H H 65 8.344 8.344 8.307 0.037 25834 4130 1 5 . 1 1 66 66 LEU N N 66 118.667 118.667 118.142 0.525 25834 4131 1 5 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.519 -0.536 25834 4132 1 5 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.040 1.147 25834 4133 1 5 . 1 1 66 66 LEU CB C 66 42.535 42.535 43.273 -0.738 25834 4134 1 5 . 1 1 66 66 LEU H H 66 8.272 8.272 7.891 0.381 25834 4135 1 5 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.217 -1.066 25834 4136 1 5 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.521 0.599 25834 4137 1 5 . 1 1 67 67 PRO CB C 67 31.810 31.810 32.070 -0.260 25834 4138 1 5 . 1 1 68 68 SER N N 68 118.916 118.916 114.780 4.136 25834 4139 1 5 . 1 1 68 68 SER HA H 68 4.197 4.197 4.503 -0.306 25834 4140 1 5 . 1 1 68 68 SER C C 68 173.454 173.454 172.835 0.619 25834 4141 1 5 . 1 1 68 68 SER CA C 68 57.667 57.667 58.532 -0.865 25834 4142 1 5 . 1 1 68 68 SER CB C 68 63.129 63.129 63.801 -0.672 25834 4143 1 5 . 1 1 68 68 SER H H 68 6.468 6.468 8.495 -2.027 25834 4144 1 5 . 1 1 69 69 VAL N N 69 119.159 119.159 120.087 -0.928 25834 4145 1 5 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.244 -0.038 25834 4146 1 5 . 1 1 69 69 VAL C C 69 174.162 174.162 174.536 -0.374 25834 4147 1 5 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.512 0.024 25834 4148 1 5 . 1 1 69 69 VAL CB C 69 34.809 34.809 35.020 -0.211 25834 4149 1 5 . 1 1 69 69 VAL H H 69 6.702 6.702 7.385 -0.683 25834 4150 1 5 . 1 1 70 70 ALA N N 70 128.571 128.571 129.632 -1.061 25834 4151 1 5 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.915 -0.691 25834 4152 1 5 . 1 1 70 70 ALA C C 70 176.888 176.888 176.372 0.516 25834 4153 1 5 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.751 1.139 25834 4154 1 5 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.350 0.368 25834 4155 1 5 . 1 1 70 70 ALA H H 70 8.486 8.486 8.698 -0.212 25834 4156 1 5 . 1 1 71 71 CYS N N 71 120.365 120.365 121.538 -1.173 25834 4157 1 5 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.052 0.394 25834 4158 1 5 . 1 1 71 71 CYS C C 71 173.126 173.126 173.273 -0.147 25834 4159 1 5 . 1 1 71 71 CYS CA C 71 58.111 58.111 57.054 1.057 25834 4160 1 5 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.586 0.147 25834 4161 1 5 . 1 1 71 71 CYS H H 71 8.222 8.222 8.649 -0.427 25834 4162 1 5 . 1 1 72 72 HIS N N 72 114.002 114.002 114.810 -0.808 25834 4163 1 5 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.037 -0.184 25834 4164 1 5 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.776 0.158 25834 4165 1 5 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.107 -0.649 25834 4166 1 5 . 1 1 72 72 HIS H H 72 9.033 9.033 8.480 0.553 25834 4167 1 5 . 1 1 73 73 LEU N N 73 117.312 117.312 120.623 -3.311 25834 4168 1 5 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.574 0.449 25834 4169 1 5 . 1 1 73 73 LEU C C 73 176.776 176.776 174.943 1.833 25834 4170 1 5 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.295 -0.661 25834 4171 1 5 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.365 -3.003 25834 4172 1 5 . 1 1 73 73 LEU H H 73 9.300 9.300 8.127 1.173 25834 4173 1 5 . 1 1 74 74 GLN N N 74 125.734 125.734 124.514 1.220 25834 4174 1 5 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.635 -0.050 25834 4175 1 5 . 1 1 74 74 GLN C C 74 175.495 175.495 173.912 1.583 25834 4176 1 5 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.405 0.560 25834 4177 1 5 . 1 1 74 74 GLN CB C 74 30.517 30.517 32.039 -1.522 25834 4178 1 5 . 1 1 74 74 GLN H H 74 9.117 9.117 8.473 0.644 25834 4179 1 5 . 1 1 75 75 CYS N N 75 129.141 129.141 123.884 5.257 25834 4180 1 5 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.779 -0.732 25834 4181 1 5 . 1 1 75 75 CYS C C 75 173.524 173.524 174.633 -1.109 25834 4182 1 5 . 1 1 75 75 CYS CA C 75 57.494 57.494 55.017 2.477 25834 4183 1 5 . 1 1 75 75 CYS CB C 75 29.293 29.293 30.882 -1.589 25834 4184 1 5 . 1 1 75 75 CYS H H 75 9.362 9.362 8.733 0.629 25834 4185 1 5 . 1 1 76 76 THR N N 76 120.173 120.173 114.852 5.321 25834 4186 1 5 . 1 1 76 76 THR HA H 76 5.014 5.014 4.950 0.064 25834 4187 1 5 . 1 1 76 76 THR C C 76 172.958 172.958 173.968 -1.010 25834 4188 1 5 . 1 1 76 76 THR CA C 76 59.790 59.790 60.484 -0.694 25834 4189 1 5 . 1 1 76 76 THR CB C 76 72.870 72.870 70.174 2.696 25834 4190 1 5 . 1 1 76 76 THR H H 76 8.477 8.477 7.992 0.485 25834 4191 1 5 . 1 1 77 77 ARG N N 77 121.783 121.783 121.941 -0.158 25834 4192 1 5 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.591 -0.179 25834 4193 1 5 . 1 1 77 77 ARG C C 77 175.808 175.808 175.571 0.237 25834 4194 1 5 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.486 0.235 25834 4195 1 5 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.183 0.981 25834 4196 1 5 . 1 1 77 77 ARG H H 77 8.769 8.769 8.106 0.663 25834 4197 1 5 . 1 1 78 78 ASP N N 78 130.879 130.879 124.528 6.351 25834 4198 1 5 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.317 -0.127 25834 4199 1 5 . 1 1 78 78 ASP C C 78 175.472 175.472 176.325 -0.853 25834 4200 1 5 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.325 0.384 25834 4201 1 5 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.966 -0.305 25834 4202 1 5 . 1 1 78 78 ASP H H 78 9.499 9.499 9.146 0.353 25834 4203 1 5 . 1 1 79 79 GLY N N 79 102.423 102.423 103.647 -1.224 25834 4204 1 5 . 1 1 79 79 GLY C C 79 173.613 173.613 173.612 0.001 25834 4205 1 5 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.188 -0.226 25834 4206 1 5 . 1 1 79 79 GLY H H 79 8.361 8.361 8.301 0.060 25834 4207 1 5 . 1 1 80 80 LEU N N 80 123.754 123.754 121.886 1.868 25834 4208 1 5 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.662 0.325 25834 4209 1 5 . 1 1 80 80 LEU C C 80 174.659 174.659 174.911 -0.252 25834 4210 1 5 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.243 0.947 25834 4211 1 5 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.075 -1.022 25834 4212 1 5 . 1 1 80 80 LEU H H 80 7.775 7.775 7.615 0.160 25834 4213 1 5 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.406 0.161 25834 4214 1 5 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.596 0.264 25834 4215 1 5 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.891 1.569 25834 4216 1 5 . 1 1 82 82 LEU N N 82 126.089 126.089 125.320 0.769 25834 4217 1 5 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.515 0.474 25834 4218 1 5 . 1 1 82 82 LEU C C 82 174.148 174.148 176.157 -2.009 25834 4219 1 5 . 1 1 82 82 LEU CA C 82 52.635 52.635 52.749 -0.114 25834 4220 1 5 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.865 1.136 25834 4221 1 5 . 1 1 82 82 LEU H H 82 8.131 8.131 7.743 0.388 25834 4222 1 5 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.438 -0.248 25834 4223 1 5 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.718 1.122 25834 4224 1 5 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.395 0.685 25834 4225 1 5 . 1 1 84 84 ALA N N 84 123.359 123.359 126.996 -3.637 25834 4226 1 5 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.534 -0.343 25834 4227 1 5 . 1 1 84 84 ALA C C 84 178.112 178.112 176.496 1.616 25834 4228 1 5 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.238 -0.484 25834 4229 1 5 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.296 0.846 25834 4230 1 5 . 1 1 84 84 ALA H H 84 8.063 8.063 8.383 -0.320 25834 4231 1 5 . 1 1 85 85 LEU N N 85 118.757 118.757 122.100 -3.343 25834 4232 1 5 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.595 0.038 25834 4233 1 5 . 1 1 85 85 LEU C C 85 177.225 177.225 177.166 0.059 25834 4234 1 5 . 1 1 85 85 LEU CA C 85 53.358 53.358 53.815 -0.457 25834 4235 1 5 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.823 -3.654 25834 4236 1 5 . 1 1 85 85 LEU H H 85 8.393 8.393 8.270 0.123 25834 4237 1 5 . 1 1 86 86 GLY N N 86 112.143 112.143 110.648 1.495 25834 4238 1 5 . 1 1 86 86 GLY C C 86 173.704 173.704 174.707 -1.003 25834 4239 1 5 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.420 1.460 25834 4240 1 5 . 1 1 86 86 GLY H H 86 9.046 9.046 8.925 0.121 25834 4241 1 5 . 1 1 87 87 LEU N N 87 123.289 123.289 126.874 -3.585 25834 4242 1 5 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.253 0.278 25834 4243 1 5 . 1 1 87 87 LEU C C 87 177.568 177.568 177.138 0.430 25834 4244 1 5 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.787 -0.828 25834 4245 1 5 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.787 3.124 25834 4246 1 5 . 1 1 87 87 LEU H H 87 7.934 7.934 8.369 -0.435 25834 4247 1 5 . 1 1 88 88 HIS N N 88 116.221 116.221 117.209 -0.988 25834 4248 1 5 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.270 -0.399 25834 4249 1 5 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.898 2.670 25834 4250 1 5 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.161 1.615 25834 4251 1 5 . 1 1 88 88 HIS H H 88 9.253 9.253 8.016 1.237 25834 4252 1 5 . 1 1 89 89 ARG N N 89 118.280 118.280 119.665 -1.385 25834 4253 1 5 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.320 -0.280 25834 4254 1 5 . 1 1 89 89 ARG C C 89 175.205 175.205 176.003 -0.798 25834 4255 1 5 . 1 1 89 89 ARG CA C 89 57.531 57.531 58.106 -0.575 25834 4256 1 5 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.824 0.979 25834 4257 1 5 . 1 1 89 89 ARG H H 89 7.300 7.300 8.327 -1.027 25834 4258 1 5 . 1 1 90 90 PHE N N 90 113.880 113.880 114.575 -0.695 25834 4259 1 5 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.731 0.672 25834 4260 1 5 . 1 1 90 90 PHE C C 90 172.663 172.663 173.392 -0.729 25834 4261 1 5 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.476 -2.121 25834 4262 1 5 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.706 -0.596 25834 4263 1 5 . 1 1 90 90 PHE H H 90 7.252 7.252 7.661 -0.409 25834 4264 1 5 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.364 0.485 25834 4265 1 5 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.030 -0.690 25834 4266 1 5 . 1 1 91 91 PRO CB C 91 32.970 32.970 32.011 0.959 25834 4267 1 5 . 1 1 92 92 PHE N N 92 104.480 104.480 112.622 -8.142 25834 4268 1 5 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.541 0.432 25834 4269 1 5 . 1 1 92 92 PHE C C 92 172.347 172.347 173.524 -1.177 25834 4270 1 5 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.383 -0.023 25834 4271 1 5 . 1 1 92 92 PHE CB C 92 41.747 41.747 42.079 -0.332 25834 4272 1 5 . 1 1 92 92 PHE H H 92 6.117 6.117 6.872 -0.755 25834 4273 1 5 . 1 1 93 93 TYR N N 93 120.959 120.959 118.092 2.867 25834 4274 1 5 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.733 -0.364 25834 4275 1 5 . 1 1 93 93 TYR C C 93 173.417 173.417 173.933 -0.516 25834 4276 1 5 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.261 0.126 25834 4277 1 5 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.692 1.758 25834 4278 1 5 . 1 1 93 93 TYR H H 93 9.370 9.370 9.067 0.303 25834 4279 1 5 . 1 1 94 94 LEU N N 94 123.359 123.359 124.335 -0.976 25834 4280 1 5 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.788 0.295 25834 4281 1 5 . 1 1 94 94 LEU C C 94 176.045 176.045 175.236 0.809 25834 4282 1 5 . 1 1 94 94 LEU CA C 94 54.107 54.107 54.004 0.103 25834 4283 1 5 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.005 1.168 25834 4284 1 5 . 1 1 94 94 LEU H H 94 10.272 10.272 9.088 1.184 25834 4285 1 5 . 1 1 95 95 PHE N N 95 119.493 119.493 125.299 -5.806 25834 4286 1 5 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.985 0.252 25834 4287 1 5 . 1 1 95 95 PHE C C 95 175.870 175.870 175.059 0.811 25834 4288 1 5 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.864 -1.095 25834 4289 1 5 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.229 2.101 25834 4290 1 5 . 1 1 95 95 PHE H H 95 8.761 8.761 8.792 -0.031 25834 4291 1 5 . 1 1 96 96 GLY N N 96 109.374 109.374 111.111 -1.737 25834 4292 1 5 . 1 1 96 96 GLY C C 96 170.712 170.712 172.653 -1.941 25834 4293 1 5 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.164 0.222 25834 4294 1 5 . 1 1 96 96 GLY H H 96 7.966 7.966 8.314 -0.348 25834 4295 1 5 . 1 1 97 97 ARG N N 97 119.683 119.683 119.789 -0.106 25834 4296 1 5 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.706 -0.057 25834 4297 1 5 . 1 1 97 97 ARG C C 97 177.225 177.225 176.086 1.139 25834 4298 1 5 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.623 1.876 25834 4299 1 5 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.767 0.107 25834 4300 1 5 . 1 1 97 97 ARG H H 97 8.147 8.147 7.987 0.160 25834 4301 1 5 . 1 1 98 98 SER N N 98 113.711 113.711 117.900 -4.189 25834 4302 1 5 . 1 1 98 98 SER HA H 98 4.337 4.337 4.533 -0.196 25834 4303 1 5 . 1 1 98 98 SER C C 98 176.172 176.172 174.648 1.524 25834 4304 1 5 . 1 1 98 98 SER CA C 98 57.909 57.909 58.461 -0.552 25834 4305 1 5 . 1 1 98 98 SER CB C 98 63.085 63.085 64.761 -1.676 25834 4306 1 5 . 1 1 98 98 SER H H 98 9.133 9.133 7.779 1.354 25834 4307 1 5 . 1 1 99 99 LYS N N 99 124.590 124.590 121.039 3.551 25834 4308 1 5 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.245 -0.301 25834 4309 1 5 . 1 1 99 99 LYS C C 99 176.548 176.548 176.684 -0.136 25834 4310 1 5 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.979 0.214 25834 4311 1 5 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.947 -0.286 25834 4312 1 5 . 1 1 99 99 LYS H H 99 8.451 8.451 8.669 -0.218 25834 4313 1 5 . 1 1 100 100 VAL N N 100 114.126 114.126 112.252 1.874 25834 4314 1 5 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.144 -0.246 25834 4315 1 5 . 1 1 100 100 VAL C C 100 176.832 176.832 176.154 0.678 25834 4316 1 5 . 1 1 100 100 VAL CA C 100 62.964 62.964 62.024 0.940 25834 4317 1 5 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.546 0.147 25834 4318 1 5 . 1 1 100 100 VAL H H 100 7.512 7.512 7.570 -0.058 25834 4319 1 5 . 1 1 101 101 CYS N N 101 119.359 119.359 117.984 1.375 25834 4320 1 5 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.339 -0.852 25834 4321 1 5 . 1 1 101 101 CYS C C 101 172.156 172.156 175.222 -3.066 25834 4322 1 5 . 1 1 101 101 CYS CA C 101 61.155 61.155 58.844 2.311 25834 4323 1 5 . 1 1 101 101 CYS CB C 101 26.848 26.848 30.195 -3.346 25834 4324 1 5 . 1 1 101 101 CYS H H 101 7.641 7.641 7.308 0.333 25834 4325 1 5 . 1 1 102 102 ASP N N 102 118.734 118.734 119.229 -0.495 25834 4326 1 5 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.505 -0.576 25834 4327 1 5 . 1 1 102 102 ASP C C 102 175.410 175.410 174.977 0.433 25834 4328 1 5 . 1 1 102 102 ASP CA C 102 57.029 57.029 55.290 1.739 25834 4329 1 5 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.998 0.930 25834 4330 1 5 . 1 1 102 102 ASP H H 102 7.367 7.367 8.484 -1.117 25834 4331 1 5 . 1 1 103 103 TYR N N 103 114.004 114.004 119.247 -5.243 25834 4332 1 5 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.566 0.666 25834 4333 1 5 . 1 1 103 103 TYR C C 103 172.997 172.997 173.739 -0.742 25834 4334 1 5 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.377 -0.023 25834 4335 1 5 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.598 -2.318 25834 4336 1 5 . 1 1 103 103 TYR H H 103 7.111 7.111 7.511 -0.400 25834 4337 1 5 . 1 1 104 104 VAL N N 104 124.660 124.660 125.596 -0.936 25834 4338 1 5 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.491 0.034 25834 4339 1 5 . 1 1 104 104 VAL C C 104 176.491 176.491 176.097 0.394 25834 4340 1 5 . 1 1 104 104 VAL CA C 104 61.221 61.221 62.091 -0.870 25834 4341 1 5 . 1 1 104 104 VAL CB C 104 31.806 31.806 31.203 0.603 25834 4342 1 5 . 1 1 104 104 VAL H H 104 8.210 8.210 8.378 -0.168 25834 4343 1 5 . 1 1 105 105 LEU N N 105 130.546 130.546 128.103 2.443 25834 4344 1 5 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.961 -0.394 25834 4345 1 5 . 1 1 105 105 LEU C C 105 175.794 175.794 176.292 -0.498 25834 4346 1 5 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.160 -0.302 25834 4347 1 5 . 1 1 105 105 LEU CB C 105 43.199 43.199 43.984 -0.785 25834 4348 1 5 . 1 1 105 105 LEU H H 105 8.217 8.217 7.984 0.233 25834 4349 1 5 . 1 1 106 106 GLU N N 106 117.285 117.285 120.308 -3.023 25834 4350 1 5 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.614 -0.365 25834 4351 1 5 . 1 1 106 106 GLU C C 106 176.698 176.698 175.054 1.644 25834 4352 1 5 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.224 0.429 25834 4353 1 5 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.691 0.459 25834 4354 1 5 . 1 1 106 106 GLU H H 106 8.219 8.219 8.694 -0.475 25834 4355 1 5 . 1 1 107 107 HIS N N 107 123.685 123.685 123.430 0.255 25834 4356 1 5 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.802 -0.951 25834 4357 1 5 . 1 1 107 107 HIS CA C 107 58.239 58.239 55.112 3.127 25834 4358 1 5 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.083 -1.164 25834 4359 1 5 . 1 1 107 107 HIS H H 107 7.703 7.703 8.493 -0.790 25834 4360 1 5 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.555 -0.415 25834 4361 1 5 . 1 1 108 108 PRO CA C 108 64.650 64.650 63.914 0.736 25834 4362 1 5 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.432 -0.412 25834 4363 1 5 . 1 1 109 109 SER N N 109 114.134 114.134 113.191 0.943 25834 4364 1 5 . 1 1 109 109 SER HA H 109 4.326 4.326 4.570 -0.244 25834 4365 1 5 . 1 1 109 109 SER C C 109 174.553 174.553 174.905 -0.352 25834 4366 1 5 . 1 1 109 109 SER CA C 109 59.214 59.214 59.338 -0.124 25834 4367 1 5 . 1 1 109 109 SER CB C 109 64.953 64.953 64.385 0.568 25834 4368 1 5 . 1 1 109 109 SER H H 109 9.035 9.035 7.899 1.136 25834 4369 1 5 . 1 1 110 110 ILE N N 110 128.498 128.498 124.882 3.616 25834 4370 1 5 . 1 1 110 110 ILE HA H 110 4.219 4.219 3.952 0.267 25834 4371 1 5 . 1 1 110 110 ILE C C 110 175.968 175.968 175.462 0.506 25834 4372 1 5 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.019 -2.116 25834 4373 1 5 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.123 -0.386 25834 4374 1 5 . 1 1 110 110 ILE H H 110 8.103 8.103 8.146 -0.043 25834 4375 1 5 . 1 1 111 111 SER N N 111 127.509 127.509 123.551 3.958 25834 4376 1 5 . 1 1 111 111 SER HA H 111 4.207 4.207 4.814 -0.607 25834 4377 1 5 . 1 1 111 111 SER C C 111 174.300 174.300 175.652 -1.352 25834 4378 1 5 . 1 1 111 111 SER CA C 111 60.844 60.844 57.283 3.561 25834 4379 1 5 . 1 1 111 111 SER CB C 111 64.891 64.891 64.985 -0.094 25834 4380 1 5 . 1 1 111 111 SER H H 111 11.497 11.497 8.206 3.291 25834 4381 1 5 . 1 1 112 112 SER N N 112 120.261 120.261 116.234 4.027 25834 4382 1 5 . 1 1 112 112 SER HA H 112 4.208 4.208 4.310 -0.102 25834 4383 1 5 . 1 1 112 112 SER C C 112 174.250 174.250 174.605 -0.355 25834 4384 1 5 . 1 1 112 112 SER CA C 112 63.258 63.258 61.402 1.856 25834 4385 1 5 . 1 1 112 112 SER CB C 112 62.194 62.194 63.157 -0.963 25834 4386 1 5 . 1 1 112 112 SER H H 112 9.135 9.135 8.772 0.363 25834 4387 1 5 . 1 1 113 113 VAL N N 113 118.006 118.006 119.399 -1.393 25834 4388 1 5 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.299 -0.646 25834 4389 1 5 . 1 1 113 113 VAL C C 113 173.570 173.570 174.738 -1.168 25834 4390 1 5 . 1 1 113 113 VAL CA C 113 64.376 64.376 61.680 2.696 25834 4391 1 5 . 1 1 113 113 VAL CB C 113 32.216 32.216 32.199 0.017 25834 4392 1 5 . 1 1 113 113 VAL H H 113 7.781 7.781 7.737 0.044 25834 4393 1 5 . 1 1 114 114 HIS N N 114 128.080 128.080 125.094 2.986 25834 4394 1 5 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.430 -0.236 25834 4395 1 5 . 1 1 114 114 HIS CA C 114 59.422 59.422 59.979 -0.557 25834 4396 1 5 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.078 4.977 25834 4397 1 5 . 1 1 114 114 HIS H H 114 8.875 8.875 8.456 0.419 25834 4398 1 5 . 1 1 115 115 ALA N N 115 114.264 114.264 115.269 -1.005 25834 4399 1 5 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.801 0.430 25834 4400 1 5 . 1 1 115 115 ALA C C 115 173.729 173.729 174.556 -0.827 25834 4401 1 5 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.564 -0.606 25834 4402 1 5 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.477 2.127 25834 4403 1 5 . 1 1 115 115 ALA H H 115 8.250 8.250 7.586 0.664 25834 4404 1 5 . 1 1 116 116 VAL N N 116 116.683 116.683 118.839 -2.156 25834 4405 1 5 . 1 1 116 116 VAL HA H 116 5.858 5.858 5.122 0.736 25834 4406 1 5 . 1 1 116 116 VAL C C 116 173.135 173.135 173.730 -0.595 25834 4407 1 5 . 1 1 116 116 VAL CA C 116 57.808 57.808 60.743 -2.935 25834 4408 1 5 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.989 0.192 25834 4409 1 5 . 1 1 116 116 VAL H H 116 8.808 8.808 7.751 1.057 25834 4410 1 5 . 1 1 117 117 LEU N N 117 124.933 124.933 127.043 -2.110 25834 4411 1 5 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.397 0.357 25834 4412 1 5 . 1 1 117 117 LEU C C 117 174.233 174.233 175.611 -1.378 25834 4413 1 5 . 1 1 117 117 LEU CA C 117 53.912 53.912 53.185 0.727 25834 4414 1 5 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.468 1.661 25834 4415 1 5 . 1 1 117 117 LEU H H 117 8.799 8.799 8.368 0.431 25834 4416 1 5 . 1 1 118 118 VAL N N 118 123.453 123.453 119.604 3.849 25834 4417 1 5 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.944 0.493 25834 4418 1 5 . 1 1 118 118 VAL C C 118 174.261 174.261 175.492 -1.231 25834 4419 1 5 . 1 1 118 118 VAL CA C 118 59.238 59.238 60.972 -1.734 25834 4420 1 5 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.517 -0.447 25834 4421 1 5 . 1 1 118 118 VAL H H 118 10.009 10.009 8.189 1.820 25834 4422 1 5 . 1 1 119 119 PHE N N 119 132.016 132.016 128.255 3.761 25834 4423 1 5 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.636 0.210 25834 4424 1 5 . 1 1 119 119 PHE C C 119 172.828 172.828 174.650 -1.822 25834 4425 1 5 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.512 3.777 25834 4426 1 5 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.600 0.040 25834 4427 1 5 . 1 1 119 119 PHE H H 119 9.544 9.544 8.453 1.091 25834 4428 1 5 . 1 1 120 120 HIS N N 120 130.718 130.718 127.896 2.822 25834 4429 1 5 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.902 -1.058 25834 4430 1 5 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.429 -1.601 25834 4431 1 5 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.261 2.015 25834 4432 1 5 . 1 1 120 120 HIS H H 120 8.365 8.365 8.111 0.254 25834 4433 1 5 . 1 1 121 121 GLY N N 121 111.906 111.906 114.169 -2.263 25834 4434 1 5 . 1 1 121 121 GLY C C 121 174.992 174.992 174.333 0.659 25834 4435 1 5 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.667 2.303 25834 4436 1 5 . 1 1 121 121 GLY H H 121 8.150 8.150 8.532 -0.382 25834 4437 1 5 . 1 1 122 122 GLY N N 122 111.156 111.156 107.961 3.195 25834 4438 1 5 . 1 1 122 122 GLY C C 122 175.834 175.834 175.270 0.564 25834 4439 1 5 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.762 0.634 25834 4440 1 5 . 1 1 122 122 GLY H H 122 9.055 9.055 7.683 1.372 25834 4441 1 5 . 1 1 123 123 GLN N N 123 121.769 121.769 117.119 4.650 25834 4442 1 5 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.490 -0.556 25834 4443 1 5 . 1 1 123 123 GLN C C 123 175.649 175.649 176.047 -0.398 25834 4444 1 5 . 1 1 123 123 GLN CA C 123 56.432 56.432 54.492 1.940 25834 4445 1 5 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.398 0.027 25834 4446 1 5 . 1 1 123 123 GLN H H 123 9.270 9.270 7.959 1.311 25834 4447 1 5 . 1 1 124 124 ARG N N 124 115.831 115.831 116.549 -0.718 25834 4448 1 5 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.122 -0.656 25834 4449 1 5 . 1 1 124 124 ARG C C 124 173.830 173.830 175.007 -1.177 25834 4450 1 5 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.663 -0.472 25834 4451 1 5 . 1 1 124 124 ARG CB C 124 26.627 26.627 26.995 -0.368 25834 4452 1 5 . 1 1 124 124 ARG H H 124 8.141 8.141 8.146 -0.005 25834 4453 1 5 . 1 1 125 125 CYS N N 125 111.895 111.895 116.292 -4.397 25834 4454 1 5 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.650 -0.160 25834 4455 1 5 . 1 1 125 125 CYS C C 125 172.037 172.037 173.891 -1.854 25834 4456 1 5 . 1 1 125 125 CYS CA C 125 55.647 55.647 56.995 -1.348 25834 4457 1 5 . 1 1 125 125 CYS CB C 125 30.488 30.488 31.406 -0.918 25834 4458 1 5 . 1 1 125 125 CYS H H 125 6.808 6.808 7.713 -0.905 25834 4459 1 5 . 1 1 126 126 PHE N N 126 119.776 119.776 123.963 -4.187 25834 4460 1 5 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.727 0.078 25834 4461 1 5 . 1 1 126 126 PHE C C 126 175.431 175.431 175.647 -0.216 25834 4462 1 5 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.556 1.169 25834 4463 1 5 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.589 0.923 25834 4464 1 5 . 1 1 126 126 PHE H H 126 9.599 9.599 9.212 0.387 25834 4465 1 5 . 1 1 127 127 VAL N N 127 119.700 119.700 124.202 -4.502 25834 4466 1 5 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.340 0.285 25834 4467 1 5 . 1 1 127 127 VAL C C 127 173.499 173.499 174.765 -1.266 25834 4468 1 5 . 1 1 127 127 VAL CA C 127 60.501 60.501 60.923 -0.422 25834 4469 1 5 . 1 1 127 127 VAL CB C 127 34.354 34.354 31.816 2.538 25834 4470 1 5 . 1 1 127 127 VAL H H 127 9.594 9.594 8.760 0.834 25834 4471 1 5 . 1 1 128 128 LEU N N 128 129.107 129.107 130.637 -1.530 25834 4472 1 5 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.291 0.126 25834 4473 1 5 . 1 1 128 128 LEU C C 128 175.310 175.310 175.571 -0.261 25834 4474 1 5 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.379 -0.389 25834 4475 1 5 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.281 2.254 25834 4476 1 5 . 1 1 128 128 LEU H H 128 9.545 9.545 8.022 1.523 25834 4477 1 5 . 1 1 129 129 MET N N 129 119.581 119.581 125.094 -5.513 25834 4478 1 5 . 1 1 129 129 MET HA H 129 4.792 4.792 5.000 -0.208 25834 4479 1 5 . 1 1 129 129 MET C C 129 174.562 174.562 174.494 0.068 25834 4480 1 5 . 1 1 129 129 MET CA C 129 54.980 54.980 54.419 0.561 25834 4481 1 5 . 1 1 129 129 MET CB C 129 38.129 38.129 36.522 1.607 25834 4482 1 5 . 1 1 129 129 MET H H 129 8.724 8.724 8.007 0.717 25834 4483 1 5 . 1 1 130 130 ASP N N 130 124.566 124.566 122.305 2.261 25834 4484 1 5 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.012 -0.340 25834 4485 1 5 . 1 1 130 130 ASP C C 130 178.291 178.291 177.651 0.640 25834 4486 1 5 . 1 1 130 130 ASP CA C 130 53.766 53.766 52.842 0.924 25834 4487 1 5 . 1 1 130 130 ASP CB C 130 42.063 42.063 42.552 -0.489 25834 4488 1 5 . 1 1 130 130 ASP H H 130 9.500 9.500 8.728 0.772 25834 4489 1 5 . 1 1 131 131 LEU N N 131 129.917 129.917 123.215 6.702 25834 4490 1 5 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.178 0.249 25834 4491 1 5 . 1 1 131 131 LEU C C 131 176.172 176.172 177.185 -1.013 25834 4492 1 5 . 1 1 131 131 LEU CA C 131 54.227 54.227 56.207 -1.980 25834 4493 1 5 . 1 1 131 131 LEU CB C 131 39.713 39.713 42.362 -2.649 25834 4494 1 5 . 1 1 131 131 LEU H H 131 8.182 8.182 7.934 0.248 25834 4495 1 5 . 1 1 132 132 GLY N N 132 107.323 107.323 105.648 1.675 25834 4496 1 5 . 1 1 132 132 GLY C C 132 174.507 174.507 174.063 0.444 25834 4497 1 5 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.208 2.063 25834 4498 1 5 . 1 1 132 132 GLY H H 132 8.233 8.233 8.027 0.206 25834 4499 1 5 . 1 1 133 133 SER N N 133 119.398 119.398 115.403 3.995 25834 4500 1 5 . 1 1 133 133 SER HA H 133 4.091 4.091 4.502 -0.411 25834 4501 1 5 . 1 1 133 133 SER C C 133 175.194 175.194 175.246 -0.052 25834 4502 1 5 . 1 1 133 133 SER CA C 133 59.003 59.003 57.911 1.092 25834 4503 1 5 . 1 1 133 133 SER CB C 133 62.766 62.766 63.999 -1.234 25834 4504 1 5 . 1 1 133 133 SER H H 133 9.111 9.111 7.830 1.281 25834 4505 1 5 . 1 1 134 134 THR N N 134 117.002 117.002 118.804 -1.802 25834 4506 1 5 . 1 1 134 134 THR HA H 134 3.917 3.917 4.238 -0.321 25834 4507 1 5 . 1 1 134 134 THR C C 134 176.542 176.542 175.144 1.398 25834 4508 1 5 . 1 1 134 134 THR CA C 134 66.444 66.444 64.818 1.626 25834 4509 1 5 . 1 1 134 134 THR CB C 134 68.876 68.876 68.854 0.022 25834 4510 1 5 . 1 1 134 134 THR H H 134 7.136 7.136 8.716 -1.580 25834 4511 1 5 . 1 1 135 135 ASN N N 135 114.018 114.018 118.806 -4.788 25834 4512 1 5 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.686 0.208 25834 4513 1 5 . 1 1 135 135 ASN C C 135 175.875 175.875 174.978 0.897 25834 4514 1 5 . 1 1 135 135 ASN CA C 135 53.679 53.679 53.478 0.201 25834 4515 1 5 . 1 1 135 135 ASN CB C 135 39.207 39.207 39.056 0.151 25834 4516 1 5 . 1 1 135 135 ASN H H 135 9.243 9.243 7.935 1.308 25834 4517 1 5 . 1 1 136 136 GLY N N 136 106.575 106.575 106.347 0.228 25834 4518 1 5 . 1 1 136 136 GLY C C 136 174.404 174.404 174.173 0.231 25834 4519 1 5 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.166 1.846 25834 4520 1 5 . 1 1 136 136 GLY H H 136 7.533 7.533 7.697 -0.164 25834 4521 1 5 . 1 1 137 137 VAL N N 137 123.037 123.037 117.518 5.519 25834 4522 1 5 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.574 -0.020 25834 4523 1 5 . 1 1 137 137 VAL C C 137 173.367 173.367 174.465 -1.098 25834 4524 1 5 . 1 1 137 137 VAL CA C 137 61.221 61.221 59.395 1.826 25834 4525 1 5 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.782 2.409 25834 4526 1 5 . 1 1 137 137 VAL H H 137 9.270 9.270 8.122 1.148 25834 4527 1 5 . 1 1 138 138 LYS N N 138 123.932 123.932 119.512 4.420 25834 4528 1 5 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.684 0.224 25834 4529 1 5 . 1 1 138 138 LYS C C 138 174.454 174.454 174.755 -0.301 25834 4530 1 5 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.116 -0.596 25834 4531 1 5 . 1 1 138 138 LYS CB C 138 35.859 35.859 35.400 0.459 25834 4532 1 5 . 1 1 138 138 LYS H H 138 8.779 8.779 7.967 0.812 25834 4533 1 5 . 1 1 139 139 LEU N N 139 124.937 124.937 124.185 0.752 25834 4534 1 5 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.655 0.380 25834 4535 1 5 . 1 1 139 139 LEU C C 139 176.335 176.335 176.272 0.063 25834 4536 1 5 . 1 1 139 139 LEU CA C 139 52.721 52.721 53.766 -1.045 25834 4537 1 5 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.041 1.086 25834 4538 1 5 . 1 1 139 139 LEU H H 139 8.528 8.528 8.815 -0.287 25834 4539 1 5 . 1 1 140 140 ASN N N 140 128.375 128.375 124.470 3.905 25834 4540 1 5 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.605 -0.209 25834 4541 1 5 . 1 1 140 140 ASN C C 140 175.256 175.256 174.847 0.409 25834 4542 1 5 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.448 -0.036 25834 4543 1 5 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.925 -1.046 25834 4544 1 5 . 1 1 140 140 ASN H H 140 10.056 10.056 8.987 1.069 25834 4545 1 5 . 1 1 141 141 GLY N N 141 101.602 101.602 104.336 -2.734 25834 4546 1 5 . 1 1 141 141 GLY C C 141 173.265 173.265 173.306 -0.041 25834 4547 1 5 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.228 -0.256 25834 4548 1 5 . 1 1 141 141 GLY H H 141 8.811 8.811 8.572 0.239 25834 4549 1 5 . 1 1 142 142 ASN N N 142 118.060 118.060 118.022 0.038 25834 4550 1 5 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.898 0.110 25834 4551 1 5 . 1 1 142 142 ASN C C 142 174.106 174.106 173.626 0.480 25834 4552 1 5 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.044 -0.448 25834 4553 1 5 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.164 -0.126 25834 4554 1 5 . 1 1 142 142 ASN H H 142 7.512 7.512 7.736 -0.224 25834 4555 1 5 . 1 1 143 143 ARG N N 143 125.882 125.882 124.864 1.018 25834 4556 1 5 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.237 0.384 25834 4557 1 5 . 1 1 143 143 ARG C C 143 177.077 177.077 175.386 1.691 25834 4558 1 5 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.065 -0.125 25834 4559 1 5 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.214 -0.427 25834 4560 1 5 . 1 1 143 143 ARG H H 143 8.975 8.975 8.598 0.377 25834 4561 1 5 . 1 1 144 144 ILE N N 144 124.442 124.442 120.408 4.034 25834 4562 1 5 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.541 0.030 25834 4563 1 5 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.719 2.075 25834 4564 1 5 . 1 1 144 144 ILE CB C 144 39.273 39.273 39.923 -0.650 25834 4565 1 5 . 1 1 144 144 ILE H H 144 6.907 6.907 7.940 -1.033 25834 4566 1 5 . 1 1 145 145 GLU N N 145 122.815 122.815 121.118 1.697 25834 4567 1 5 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.230 -0.026 25834 4568 1 5 . 1 1 145 145 GLU C C 145 176.123 176.123 175.558 0.565 25834 4569 1 5 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.564 -1.229 25834 4570 1 5 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.146 0.446 25834 4571 1 5 . 1 1 145 145 GLU H H 145 8.628 8.628 8.502 0.126 25834 4572 1 5 . 1 1 146 146 LYS N N 146 122.367 122.367 117.681 4.686 25834 4573 1 5 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.413 -0.297 25834 4574 1 5 . 1 1 146 146 LYS C C 146 175.811 175.811 176.237 -0.426 25834 4575 1 5 . 1 1 146 146 LYS CA C 146 57.955 57.955 55.000 2.955 25834 4576 1 5 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.051 -0.489 25834 4577 1 5 . 1 1 146 146 LYS H H 146 8.755 8.755 8.048 0.707 25834 4578 1 5 . 1 1 147 147 ARG N N 147 115.303 115.303 118.951 -3.648 25834 4579 1 5 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.076 -0.419 25834 4580 1 5 . 1 1 147 147 ARG C C 147 174.121 174.121 174.918 -0.797 25834 4581 1 5 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.370 1.101 25834 4582 1 5 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.286 -0.893 25834 4583 1 5 . 1 1 147 147 ARG H H 147 9.124 9.124 8.204 0.920 25834 4584 1 5 . 1 1 148 148 ARG N N 148 118.994 118.994 116.811 2.183 25834 4585 1 5 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.684 0.278 25834 4586 1 5 . 1 1 148 148 ARG C C 148 173.769 173.769 173.394 0.375 25834 4587 1 5 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.506 -0.020 25834 4588 1 5 . 1 1 148 148 ARG CB C 148 32.396 32.396 32.487 -0.091 25834 4589 1 5 . 1 1 148 148 ARG H H 148 8.133 8.133 7.746 0.387 25834 4590 1 5 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.461 0.177 25834 4591 1 5 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.196 -0.556 25834 4592 1 5 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.505 0.295 25834 4593 1 5 . 1 1 150 150 LEU N N 150 129.239 129.239 126.000 3.239 25834 4594 1 5 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.785 0.191 25834 4595 1 5 . 1 1 150 150 LEU C C 150 173.433 173.433 175.377 -1.944 25834 4596 1 5 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.674 -0.319 25834 4597 1 5 . 1 1 150 150 LEU CB C 150 44.253 44.253 41.964 2.289 25834 4598 1 5 . 1 1 150 150 LEU H H 150 8.850 8.850 7.892 0.958 25834 4599 1 5 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.823 -0.492 25834 4600 1 5 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.608 1.593 25834 4601 1 5 . 1 1 151 151 PRO CB C 151 32.673 32.673 32.101 0.572 25834 4602 1 5 . 1 1 152 152 ALA N N 152 123.538 123.538 128.063 -4.525 25834 4603 1 5 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.714 0.169 25834 4604 1 5 . 1 1 152 152 ALA C C 152 172.551 172.551 175.660 -3.109 25834 4605 1 5 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.302 -1.185 25834 4606 1 5 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.561 -1.459 25834 4607 1 5 . 1 1 152 152 ALA H H 152 8.741 8.741 8.357 0.384 25834 4608 1 5 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.458 0.179 25834 4609 1 5 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.079 0.001 25834 4610 1 5 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.630 0.700 25834 4611 1 5 . 1 1 154 154 VAL N N 154 121.024 121.024 116.931 4.093 25834 4612 1 5 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.516 -0.192 25834 4613 1 5 . 1 1 154 154 VAL C C 154 176.371 176.371 177.041 -0.670 25834 4614 1 5 . 1 1 154 154 VAL CA C 154 65.636 65.636 62.941 2.695 25834 4615 1 5 . 1 1 154 154 VAL CB C 154 31.513 31.513 30.775 0.738 25834 4616 1 5 . 1 1 154 154 VAL H H 154 8.653 8.653 8.326 0.327 25834 4617 1 5 . 1 1 155 155 GLY N N 155 116.464 116.464 113.624 2.840 25834 4618 1 5 . 1 1 155 155 GLY C C 155 174.707 174.707 174.053 0.654 25834 4619 1 5 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.486 -1.177 25834 4620 1 5 . 1 1 155 155 GLY H H 155 9.242 9.242 8.849 0.393 25834 4621 1 5 . 1 1 156 156 SER N N 156 117.176 117.176 116.140 1.036 25834 4622 1 5 . 1 1 156 156 SER HA H 156 4.684 4.684 4.635 0.050 25834 4623 1 5 . 1 1 156 156 SER C C 156 172.437 172.437 173.234 -0.797 25834 4624 1 5 . 1 1 156 156 SER CA C 156 60.271 60.271 57.736 2.535 25834 4625 1 5 . 1 1 156 156 SER CB C 156 64.119 64.119 65.272 -1.153 25834 4626 1 5 . 1 1 156 156 SER H H 156 8.166 8.166 7.974 0.192 25834 4627 1 5 . 1 1 157 157 SER N N 157 117.025 117.025 114.078 2.947 25834 4628 1 5 . 1 1 157 157 SER HA H 157 5.334 5.334 5.388 -0.054 25834 4629 1 5 . 1 1 157 157 SER C C 157 173.729 173.729 173.183 0.546 25834 4630 1 5 . 1 1 157 157 SER CA C 157 56.737 56.737 57.115 -0.378 25834 4631 1 5 . 1 1 157 157 SER CB C 157 65.445 65.445 66.185 -0.740 25834 4632 1 5 . 1 1 157 157 SER H H 157 8.371 8.371 8.314 0.057 25834 4633 1 5 . 1 1 158 158 ILE N N 158 126.089 126.089 118.220 7.869 25834 4634 1 5 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.542 0.277 25834 4635 1 5 . 1 1 158 158 ILE C C 158 174.471 174.471 174.309 0.162 25834 4636 1 5 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.289 -0.240 25834 4637 1 5 . 1 1 158 158 ILE CB C 158 42.434 42.434 42.297 0.137 25834 4638 1 5 . 1 1 158 158 ILE H H 158 9.601 9.601 8.313 1.288 25834 4639 1 5 . 1 1 159 159 GLN N N 159 123.323 123.323 120.153 3.170 25834 4640 1 5 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.895 -0.333 25834 4641 1 5 . 1 1 159 159 GLN C C 159 174.219 174.219 174.219 0.000 25834 4642 1 5 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.534 0.570 25834 4643 1 5 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.380 0.247 25834 4644 1 5 . 1 1 159 159 GLN H H 159 8.290 8.290 8.392 -0.102 25834 4645 1 5 . 1 1 160 160 PHE N N 160 124.084 124.084 118.282 5.802 25834 4646 1 5 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.877 -0.313 25834 4647 1 5 . 1 1 160 160 PHE C C 160 174.368 174.368 174.078 0.290 25834 4648 1 5 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.992 -0.577 25834 4649 1 5 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.335 -0.658 25834 4650 1 5 . 1 1 160 160 PHE H H 160 9.622 9.622 8.920 0.702 25834 4651 1 5 . 1 1 161 161 GLY N N 161 108.516 108.516 112.275 -3.759 25834 4652 1 5 . 1 1 161 161 GLY C C 161 173.064 173.064 173.272 -0.208 25834 4653 1 5 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.193 0.979 25834 4654 1 5 . 1 1 161 161 GLY H H 161 8.409 8.409 8.014 0.395 25834 4655 1 5 . 1 1 162 162 PHE N N 162 123.240 123.240 120.169 3.071 25834 4656 1 5 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.616 0.325 25834 4657 1 5 . 1 1 162 162 PHE C C 162 175.982 175.982 175.286 0.696 25834 4658 1 5 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.892 -2.830 25834 4659 1 5 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.024 -0.933 25834 4660 1 5 . 1 1 162 162 PHE H H 162 8.848 8.848 7.989 0.859 25834 4661 1 5 . 1 1 163 163 SER N N 163 113.673 113.673 114.204 -0.531 25834 4662 1 5 . 1 1 163 163 SER HA H 163 4.001 4.001 3.664 0.337 25834 4663 1 5 . 1 1 163 163 SER C C 163 176.303 176.303 175.235 1.068 25834 4664 1 5 . 1 1 163 163 SER CA C 163 58.004 58.004 58.449 -0.445 25834 4665 1 5 . 1 1 163 163 SER CB C 163 62.297 62.297 63.380 -1.083 25834 4666 1 5 . 1 1 163 163 SER H H 163 7.071 7.071 6.726 0.345 25834 4667 1 5 . 1 1 164 164 SER N N 164 126.213 126.213 118.482 7.731 25834 4668 1 5 . 1 1 164 164 SER HA H 164 4.188 4.188 4.394 -0.206 25834 4669 1 5 . 1 1 164 164 SER C C 164 174.499 174.499 174.808 -0.309 25834 4670 1 5 . 1 1 164 164 SER CA C 164 59.606 59.606 59.271 0.335 25834 4671 1 5 . 1 1 164 164 SER CB C 164 63.841 63.841 63.553 0.288 25834 4672 1 5 . 1 1 164 164 SER H H 164 9.901 9.901 8.636 1.265 25834 4673 1 5 . 1 1 165 165 ARG N N 165 122.909 122.909 122.769 0.140 25834 4674 1 5 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.178 0.042 25834 4675 1 5 . 1 1 165 165 ARG C C 165 175.560 175.560 174.901 0.659 25834 4676 1 5 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.283 1.166 25834 4677 1 5 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.581 0.410 25834 4678 1 5 . 1 1 165 165 ARG H H 165 8.096 8.096 7.731 0.365 25834 4679 1 5 . 1 1 166 166 VAL N N 166 123.934 123.934 118.969 4.965 25834 4680 1 5 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.275 -0.117 25834 4681 1 5 . 1 1 166 166 VAL C C 166 174.398 174.398 174.279 0.119 25834 4682 1 5 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.440 1.603 25834 4683 1 5 . 1 1 166 166 VAL CB C 166 33.399 33.399 36.163 -2.764 25834 4684 1 5 . 1 1 166 166 VAL H H 166 8.756 8.756 7.539 1.217 25834 4685 1 5 . 1 1 167 167 TYR N N 167 126.353 126.353 124.439 1.914 25834 4686 1 5 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.113 0.089 25834 4687 1 5 . 1 1 167 167 TYR C C 167 174.823 174.823 175.250 -0.427 25834 4688 1 5 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.343 -0.440 25834 4689 1 5 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.222 1.634 25834 4690 1 5 . 1 1 167 167 TYR H H 167 8.637 8.637 8.184 0.453 25834 4691 1 5 . 1 1 168 168 LYS N N 168 123.312 123.312 125.623 -2.311 25834 4692 1 5 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.799 0.687 25834 4693 1 5 . 1 1 168 168 LYS C C 168 176.634 176.634 175.787 0.847 25834 4694 1 5 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.403 -0.491 25834 4695 1 5 . 1 1 168 168 LYS CB C 168 35.902 35.902 32.993 2.909 25834 4696 1 5 . 1 1 168 168 LYS H H 168 9.005 9.005 8.808 0.197 25834 4697 1 5 . 1 1 169 169 VAL N N 169 125.863 125.863 126.835 -0.972 25834 4698 1 5 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.405 -0.587 25834 4699 1 5 . 1 1 169 169 VAL C C 169 175.804 175.804 175.720 0.084 25834 4700 1 5 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.678 1.177 25834 4701 1 5 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.365 -1.428 25834 4702 1 5 . 1 1 169 169 VAL H H 169 8.305 8.305 8.387 -0.082 25834 4703 1 5 . 1 1 170 170 GLN N N 170 129.871 129.871 123.248 6.623 25834 4704 1 5 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.554 0.313 25834 4705 1 5 . 1 1 170 170 GLN C C 170 174.293 174.293 172.905 1.388 25834 4706 1 5 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.115 -1.297 25834 4707 1 5 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.272 -0.591 25834 4708 1 5 . 1 1 170 170 GLN H H 170 9.124 9.124 8.065 1.059 25834 4709 1 5 . 1 1 171 171 LEU N N 171 122.168 122.168 123.558 -1.390 25834 4710 1 5 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.610 -0.118 25834 4711 1 5 . 1 1 171 171 LEU C C 171 177.672 177.672 176.740 0.932 25834 4712 1 5 . 1 1 171 171 LEU CA C 171 55.951 55.951 53.640 2.311 25834 4713 1 5 . 1 1 171 171 LEU CB C 171 44.023 44.023 44.185 -0.162 25834 4714 1 5 . 1 1 171 171 LEU H H 171 8.569 8.569 8.318 0.251 25834 4715 1 5 . 1 1 172 172 GLY N N 172 111.174 111.174 113.875 -2.701 25834 4716 1 5 . 1 1 172 172 GLY C C 172 171.895 171.895 173.394 -1.499 25834 4717 1 5 . 1 1 172 172 GLY CA C 172 44.179 44.179 44.269 -0.090 25834 4718 1 5 . 1 1 172 172 GLY H H 172 8.588 8.588 8.181 0.407 25834 4719 1 5 . 1 1 175 175 SER N N 175 115.756 115.756 120.200 -4.444 25834 4720 1 5 . 1 1 175 175 SER HA H 175 4.274 4.274 4.545 -0.271 25834 4721 1 5 . 1 1 175 175 SER C C 175 174.314 174.314 174.824 -0.510 25834 4722 1 5 . 1 1 175 175 SER CA C 175 57.998 57.998 57.622 0.376 25834 4723 1 5 . 1 1 175 175 SER CB C 175 63.886 63.886 64.172 -0.286 25834 4724 1 5 . 1 1 175 175 SER H H 175 7.661 7.661 8.208 -0.547 25834 4725 1 5 . 1 1 176 176 SER N N 176 117.882 117.882 115.790 2.092 25834 4726 1 5 . 1 1 176 176 SER HA H 176 4.698 4.698 4.189 0.509 25834 4727 1 5 . 1 1 176 176 SER C C 176 173.521 173.521 173.239 0.282 25834 4728 1 5 . 1 1 176 176 SER CA C 176 58.601 58.601 58.863 -0.262 25834 4729 1 5 . 1 1 176 176 SER CB C 176 64.242 64.242 62.754 1.488 25834 4730 1 5 . 1 1 176 176 SER H H 176 8.265 8.265 8.798 -0.533 25834 4731 1 6 . 1 1 1 1 MET N N 1 121.215 121.215 117.616 3.599 25834 4732 1 6 . 1 1 1 1 MET HA H 1 4.416 4.416 4.340 0.076 25834 4733 1 6 . 1 1 1 1 MET C C 1 176.061 176.061 175.781 0.280 25834 4734 1 6 . 1 1 1 1 MET CA C 1 55.827 55.827 55.005 0.822 25834 4735 1 6 . 1 1 1 1 MET CB C 1 32.869 32.869 31.280 1.589 25834 4736 1 6 . 1 1 1 1 MET H H 1 8.477 8.477 8.078 0.399 25834 4737 1 6 . 1 1 2 2 VAL N N 2 122.483 122.483 116.877 5.606 25834 4738 1 6 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.156 0.011 25834 4739 1 6 . 1 1 2 2 VAL C C 2 176.225 176.225 175.642 0.583 25834 4740 1 6 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.615 -0.460 25834 4741 1 6 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.004 0.851 25834 4742 1 6 . 1 1 2 2 VAL H H 2 8.213 8.213 7.870 0.343 25834 4743 1 6 . 1 1 3 3 THR N N 3 117.952 117.952 114.722 3.230 25834 4744 1 6 . 1 1 3 3 THR HA H 3 4.353 4.353 4.744 -0.391 25834 4745 1 6 . 1 1 3 3 THR C C 3 174.614 174.614 174.094 0.520 25834 4746 1 6 . 1 1 3 3 THR CA C 3 61.571 61.571 61.623 -0.052 25834 4747 1 6 . 1 1 3 3 THR CB C 3 69.948 69.948 70.387 -0.439 25834 4748 1 6 . 1 1 3 3 THR H H 3 8.228 8.228 8.138 0.090 25834 4749 1 6 . 1 1 4 4 SER N N 4 118.076 118.076 117.739 0.337 25834 4750 1 6 . 1 1 4 4 SER HA H 4 4.490 4.490 4.737 -0.247 25834 4751 1 6 . 1 1 4 4 SER C C 4 174.867 174.867 174.236 0.631 25834 4752 1 6 . 1 1 4 4 SER CA C 4 58.451 58.451 58.487 -0.036 25834 4753 1 6 . 1 1 4 4 SER CB C 4 63.853 63.853 64.567 -0.714 25834 4754 1 6 . 1 1 4 4 SER H H 4 8.350 8.350 8.330 0.020 25834 4755 1 6 . 1 1 5 5 THR N N 5 115.176 115.176 115.629 -0.453 25834 4756 1 6 . 1 1 5 5 THR HA H 5 4.277 4.277 4.530 -0.253 25834 4757 1 6 . 1 1 5 5 THR C C 5 175.173 175.173 175.321 -0.148 25834 4758 1 6 . 1 1 5 5 THR CA C 5 62.114 62.114 62.019 0.095 25834 4759 1 6 . 1 1 5 5 THR CB C 5 69.702 69.702 69.176 0.526 25834 4760 1 6 . 1 1 5 5 THR H H 5 8.125 8.125 8.479 -0.354 25834 4761 1 6 . 1 1 6 6 GLY N N 6 110.725 110.725 109.402 1.323 25834 4762 1 6 . 1 1 6 6 GLY C C 6 173.939 173.939 173.380 0.559 25834 4763 1 6 . 1 1 6 6 GLY CA C 6 45.253 45.253 44.958 0.295 25834 4764 1 6 . 1 1 6 6 GLY H H 6 8.289 8.289 8.058 0.231 25834 4765 1 6 . 1 1 7 7 LEU N N 7 121.627 121.627 121.982 -0.355 25834 4766 1 6 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.604 -0.358 25834 4767 1 6 . 1 1 7 7 LEU C C 7 177.317 177.317 176.114 1.203 25834 4768 1 6 . 1 1 7 7 LEU CA C 7 55.509 55.509 54.416 1.093 25834 4769 1 6 . 1 1 7 7 LEU CB C 7 42.507 42.507 42.394 0.113 25834 4770 1 6 . 1 1 7 7 LEU H H 7 7.984 7.984 7.782 0.202 25834 4771 1 6 . 1 1 8 8 LEU N N 8 122.317 122.317 126.593 -4.276 25834 4772 1 6 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.717 -0.413 25834 4773 1 6 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.753 0.536 25834 4774 1 6 . 1 1 8 8 LEU CB C 8 42.314 42.314 45.527 -3.213 25834 4775 1 6 . 1 1 8 8 LEU H H 8 8.163 8.163 8.267 -0.104 25834 4776 1 6 . 1 1 9 9 SER N N 9 116.218 116.218 116.359 -0.141 25834 4777 1 6 . 1 1 9 9 SER HA H 9 4.315 4.315 4.835 -0.520 25834 4778 1 6 . 1 1 9 9 SER CA C 9 58.253 58.253 57.619 0.634 25834 4779 1 6 . 1 1 9 9 SER CB C 9 63.786 63.786 65.339 -1.553 25834 4780 1 6 . 1 1 9 9 SER H H 9 8.088 8.088 8.163 -0.075 25834 4781 1 6 . 1 1 10 10 ARG N N 10 122.939 122.939 121.663 1.276 25834 4782 1 6 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.771 -0.466 25834 4783 1 6 . 1 1 10 10 ARG C C 10 177.734 177.734 175.457 2.277 25834 4784 1 6 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.899 0.390 25834 4785 1 6 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.692 -1.101 25834 4786 1 6 . 1 1 10 10 ARG H H 10 8.211 8.211 8.486 -0.275 25834 4787 1 6 . 1 1 11 11 VAL N N 11 120.980 120.980 120.729 0.251 25834 4788 1 6 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.422 -0.417 25834 4789 1 6 . 1 1 11 11 VAL C C 11 175.793 175.793 175.479 0.314 25834 4790 1 6 . 1 1 11 11 VAL CA C 11 62.353 62.353 62.261 0.092 25834 4791 1 6 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.634 -0.966 25834 4792 1 6 . 1 1 11 11 VAL H H 11 8.006 8.006 8.483 -0.477 25834 4793 1 6 . 1 1 12 12 ALA N N 12 127.736 127.736 127.623 0.113 25834 4794 1 6 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.746 -0.514 25834 4795 1 6 . 1 1 12 12 ALA C C 12 177.174 177.174 175.633 1.541 25834 4796 1 6 . 1 1 12 12 ALA CA C 12 52.429 52.429 51.864 0.566 25834 4797 1 6 . 1 1 12 12 ALA CB C 12 19.227 19.227 20.204 -0.977 25834 4798 1 6 . 1 1 12 12 ALA H H 12 8.246 8.246 8.295 -0.049 25834 4799 1 6 . 1 1 13 13 ALA N N 13 123.061 123.061 122.839 0.222 25834 4800 1 6 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.814 -0.577 25834 4801 1 6 . 1 1 13 13 ALA C C 13 177.800 177.800 176.268 1.532 25834 4802 1 6 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.621 0.824 25834 4803 1 6 . 1 1 13 13 ALA CB C 13 19.115 19.115 20.458 -1.343 25834 4804 1 6 . 1 1 13 13 ALA H H 13 8.158 8.158 8.275 -0.117 25834 4805 1 6 . 1 1 14 14 VAL N N 14 119.391 119.391 121.054 -1.663 25834 4806 1 6 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.444 -0.444 25834 4807 1 6 . 1 1 14 14 VAL C C 14 176.284 176.284 174.888 1.396 25834 4808 1 6 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.121 0.216 25834 4809 1 6 . 1 1 14 14 VAL CB C 14 32.739 32.739 32.236 0.503 25834 4810 1 6 . 1 1 14 14 VAL H H 14 7.988 7.988 8.231 -0.243 25834 4811 1 6 . 1 1 15 15 GLU N N 15 124.744 124.744 126.076 -1.332 25834 4812 1 6 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.686 -0.486 25834 4813 1 6 . 1 1 15 15 GLU C C 15 176.542 176.542 175.170 1.372 25834 4814 1 6 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.892 0.649 25834 4815 1 6 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.958 -0.430 25834 4816 1 6 . 1 1 15 15 GLU H H 15 8.369 8.369 8.623 -0.254 25834 4817 1 6 . 1 1 16 16 LYS N N 16 122.786 122.786 122.299 0.487 25834 4818 1 6 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.555 -0.358 25834 4819 1 6 . 1 1 16 16 LYS C C 16 176.218 176.218 175.038 1.180 25834 4820 1 6 . 1 1 16 16 LYS CA C 16 56.253 56.253 56.084 0.169 25834 4821 1 6 . 1 1 16 16 LYS CB C 16 32.898 32.898 33.995 -1.097 25834 4822 1 6 . 1 1 16 16 LYS H H 16 8.264 8.264 8.567 -0.303 25834 4823 1 6 . 1 1 17 17 ALA N N 17 125.458 125.458 124.780 0.678 25834 4824 1 6 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.775 -0.591 25834 4825 1 6 . 1 1 17 17 ALA C C 17 177.579 177.579 176.053 1.526 25834 4826 1 6 . 1 1 17 17 ALA CA C 17 52.516 52.516 52.360 0.156 25834 4827 1 6 . 1 1 17 17 ALA CB C 17 19.105 19.105 19.357 -0.252 25834 4828 1 6 . 1 1 17 17 ALA H H 17 8.226 8.226 8.616 -0.390 25834 4829 1 6 . 1 1 18 18 ALA N N 18 123.616 123.616 125.670 -2.054 25834 4830 1 6 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.426 -0.202 25834 4831 1 6 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.719 0.800 25834 4832 1 6 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.258 -1.131 25834 4833 1 6 . 1 1 18 18 ALA H H 18 8.153 8.153 8.465 -0.312 25834 4834 1 6 . 1 1 19 19 GLU N N 19 120.282 120.282 122.173 -1.891 25834 4835 1 6 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.622 -0.423 25834 4836 1 6 . 1 1 19 19 GLU CA C 19 56.370 56.370 56.164 0.206 25834 4837 1 6 . 1 1 19 19 GLU CB C 19 30.637 30.637 29.448 1.189 25834 4838 1 6 . 1 1 19 19 GLU H H 19 8.209 8.209 8.518 -0.309 25834 4839 1 6 . 1 1 20 20 ILE N N 20 122.046 122.046 124.810 -2.764 25834 4840 1 6 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.298 -0.238 25834 4841 1 6 . 1 1 20 20 ILE C C 20 175.806 175.806 176.263 -0.457 25834 4842 1 6 . 1 1 20 20 ILE CA C 20 60.980 60.980 60.731 0.249 25834 4843 1 6 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.921 -0.231 25834 4844 1 6 . 1 1 20 20 ILE H H 20 8.038 8.038 8.433 -0.395 25834 4845 1 6 . 1 1 21 21 ALA N N 21 128.175 128.175 129.532 -1.357 25834 4846 1 6 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.329 -0.144 25834 4847 1 6 . 1 1 21 21 ALA C C 21 175.942 175.942 176.854 -0.912 25834 4848 1 6 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.491 0.956 25834 4849 1 6 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.592 -0.295 25834 4850 1 6 . 1 1 21 21 ALA H H 21 8.224 8.224 8.168 0.056 25834 4851 1 6 . 1 1 22 22 LYS N N 22 120.107 120.107 120.630 -0.523 25834 4852 1 6 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.237 -0.010 25834 4853 1 6 . 1 1 22 22 LYS C C 22 174.303 174.303 175.398 -1.095 25834 4854 1 6 . 1 1 22 22 LYS CA C 22 53.397 53.397 55.438 -2.041 25834 4855 1 6 . 1 1 22 22 LYS CB C 22 34.459 34.459 31.852 2.607 25834 4856 1 6 . 1 1 22 22 LYS H H 22 7.903 7.903 8.304 -0.401 25834 4857 1 6 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.546 -0.203 25834 4858 1 6 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.588 0.105 25834 4859 1 6 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.602 -0.542 25834 4860 1 6 . 1 1 27 27 LYS N N 27 121.752 121.752 120.016 1.736 25834 4861 1 6 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.520 -0.306 25834 4862 1 6 . 1 1 27 27 LYS C C 27 176.450 176.450 175.926 0.524 25834 4863 1 6 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.377 0.832 25834 4864 1 6 . 1 1 27 27 LYS CB C 27 32.935 32.935 33.521 -0.586 25834 4865 1 6 . 1 1 27 27 LYS H H 27 8.253 8.253 8.092 0.161 25834 4866 1 6 . 1 1 28 28 VAL N N 28 123.000 123.000 119.102 3.898 25834 4867 1 6 . 1 1 28 28 VAL HA H 28 4.004 4.004 4.045 -0.041 25834 4868 1 6 . 1 1 28 28 VAL C C 28 175.672 175.672 175.594 0.078 25834 4869 1 6 . 1 1 28 28 VAL CA C 28 62.268 62.268 63.016 -0.748 25834 4870 1 6 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.183 0.699 25834 4871 1 6 . 1 1 28 28 VAL H H 28 8.128 8.128 8.435 -0.307 25834 4872 1 6 . 1 1 29 29 VAL N N 29 126.899 126.899 124.707 2.192 25834 4873 1 6 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.484 -0.613 25834 4874 1 6 . 1 1 29 29 VAL C C 29 174.835 174.835 175.917 -1.082 25834 4875 1 6 . 1 1 29 29 VAL CA C 29 62.288 62.288 61.245 1.044 25834 4876 1 6 . 1 1 29 29 VAL CB C 29 32.811 32.811 34.361 -1.550 25834 4877 1 6 . 1 1 29 29 VAL H H 29 8.144 8.144 7.977 0.167 25834 4878 1 6 . 1 1 30 30 GLU N N 30 125.745 125.745 124.550 1.195 25834 4879 1 6 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.193 -0.006 25834 4880 1 6 . 1 1 30 30 GLU C C 30 177.203 177.203 175.897 1.306 25834 4881 1 6 . 1 1 30 30 GLU CA C 30 55.688 55.688 56.232 -0.544 25834 4882 1 6 . 1 1 30 30 GLU CB C 30 30.501 30.501 30.032 0.469 25834 4883 1 6 . 1 1 30 30 GLU H H 30 8.239 8.239 8.433 -0.194 25834 4884 1 6 . 1 1 31 31 LEU N N 31 125.229 125.229 120.891 4.338 25834 4885 1 6 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.116 0.711 25834 4886 1 6 . 1 1 31 31 LEU C C 31 178.237 178.237 177.104 1.133 25834 4887 1 6 . 1 1 31 31 LEU CA C 31 54.633 54.633 55.635 -1.002 25834 4888 1 6 . 1 1 31 31 LEU CB C 31 43.356 43.356 41.922 1.434 25834 4889 1 6 . 1 1 31 31 LEU H H 31 8.513 8.513 8.343 0.170 25834 4890 1 6 . 1 1 32 32 THR N N 32 113.162 113.162 113.839 -0.677 25834 4891 1 6 . 1 1 32 32 THR HA H 32 4.184 4.184 4.274 -0.090 25834 4892 1 6 . 1 1 32 32 THR C C 32 174.923 174.923 175.598 -0.675 25834 4893 1 6 . 1 1 32 32 THR CA C 32 61.002 61.002 61.624 -0.622 25834 4894 1 6 . 1 1 32 32 THR CB C 32 70.848 70.848 69.529 1.319 25834 4895 1 6 . 1 1 32 32 THR H H 32 8.444 8.444 8.067 0.377 25834 4896 1 6 . 1 1 33 33 GLU N N 33 119.849 119.849 120.585 -0.736 25834 4897 1 6 . 1 1 33 33 GLU HA H 33 3.756 3.756 3.991 -0.235 25834 4898 1 6 . 1 1 33 33 GLU C C 33 178.906 178.906 178.094 0.812 25834 4899 1 6 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.154 0.701 25834 4900 1 6 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.139 -0.236 25834 4901 1 6 . 1 1 33 33 GLU H H 33 8.614 8.614 8.735 -0.121 25834 4902 1 6 . 1 1 34 34 ALA N N 34 118.382 118.382 121.705 -3.323 25834 4903 1 6 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.290 -0.320 25834 4904 1 6 . 1 1 34 34 ALA C C 34 180.554 180.554 179.241 1.313 25834 4905 1 6 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.777 0.806 25834 4906 1 6 . 1 1 34 34 ALA CB C 34 18.776 18.776 17.981 0.795 25834 4907 1 6 . 1 1 34 34 ALA H H 34 8.102 8.102 8.216 -0.114 25834 4908 1 6 . 1 1 35 35 ALA N N 35 121.658 121.658 120.004 1.654 25834 4909 1 6 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.242 -0.397 25834 4910 1 6 . 1 1 35 35 ALA C C 35 178.231 178.231 178.545 -0.314 25834 4911 1 6 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.349 0.157 25834 4912 1 6 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.303 0.842 25834 4913 1 6 . 1 1 35 35 ALA H H 35 7.456 7.456 7.933 -0.477 25834 4914 1 6 . 1 1 36 36 LYS N N 36 114.479 114.479 115.092 -0.613 25834 4915 1 6 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.185 -0.329 25834 4916 1 6 . 1 1 36 36 LYS C C 36 176.884 176.884 177.540 -0.656 25834 4917 1 6 . 1 1 36 36 LYS CA C 36 58.800 58.800 57.867 0.933 25834 4918 1 6 . 1 1 36 36 LYS CB C 36 32.820 32.820 32.795 0.024 25834 4919 1 6 . 1 1 36 36 LYS H H 36 7.897 7.897 7.576 0.321 25834 4920 1 6 . 1 1 37 37 GLN N N 37 114.203 114.203 118.276 -4.073 25834 4921 1 6 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.158 0.042 25834 4922 1 6 . 1 1 37 37 GLN C C 37 176.478 176.478 177.024 -0.546 25834 4923 1 6 . 1 1 37 37 GLN CA C 37 55.119 55.119 57.393 -2.274 25834 4924 1 6 . 1 1 37 37 GLN CB C 37 28.383 28.383 29.089 -0.706 25834 4925 1 6 . 1 1 37 37 GLN H H 37 6.970 6.970 7.270 -0.300 25834 4926 1 6 . 1 1 38 38 LEU N N 38 120.478 120.478 118.280 2.198 25834 4927 1 6 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.225 -0.380 25834 4928 1 6 . 1 1 38 38 LEU C C 38 171.820 171.820 174.757 -2.937 25834 4929 1 6 . 1 1 38 38 LEU CA C 38 53.862 53.862 53.837 0.025 25834 4930 1 6 . 1 1 38 38 LEU CB C 38 40.017 40.017 40.866 -0.849 25834 4931 1 6 . 1 1 38 38 LEU H H 38 7.155 7.155 7.358 -0.203 25834 4932 1 6 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.335 -0.010 25834 4933 1 6 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.605 0.346 25834 4934 1 6 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.395 -0.313 25834 4935 1 6 . 1 1 40 40 GLN N N 40 125.695 125.695 117.974 7.721 25834 4936 1 6 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.294 -0.510 25834 4937 1 6 . 1 1 40 40 GLN C C 40 177.994 177.994 177.313 0.681 25834 4938 1 6 . 1 1 40 40 GLN CA C 40 59.489 59.489 54.156 5.333 25834 4939 1 6 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.154 -1.027 25834 4940 1 6 . 1 1 40 40 GLN H H 40 9.245 9.245 8.320 0.925 25834 4941 1 6 . 1 1 41 41 HIS N N 41 125.870 125.870 116.936 8.934 25834 4942 1 6 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.176 0.353 25834 4943 1 6 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.326 -0.918 25834 4944 1 6 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.344 0.045 25834 4945 1 6 . 1 1 41 41 HIS H H 41 11.289 11.289 8.634 2.655 25834 4946 1 6 . 1 1 42 42 ILE N N 42 119.609 119.609 114.879 4.730 25834 4947 1 6 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.971 -0.104 25834 4948 1 6 . 1 1 42 42 ILE C C 42 178.715 178.715 177.072 1.643 25834 4949 1 6 . 1 1 42 42 ILE CA C 42 60.123 60.123 62.643 -2.520 25834 4950 1 6 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.662 -2.114 25834 4951 1 6 . 1 1 42 42 ILE H H 42 6.700 6.700 7.072 -0.372 25834 4952 1 6 . 1 1 43 43 ILE N N 43 122.532 122.532 120.250 2.282 25834 4953 1 6 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.894 -0.395 25834 4954 1 6 . 1 1 43 43 ILE C C 43 178.325 178.325 177.668 0.657 25834 4955 1 6 . 1 1 43 43 ILE CA C 43 65.537 65.537 62.938 2.599 25834 4956 1 6 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.732 0.506 25834 4957 1 6 . 1 1 43 43 ILE H H 43 7.673 7.673 7.064 0.609 25834 4958 1 6 . 1 1 44 44 GLY N N 44 101.559 101.559 106.870 -5.311 25834 4959 1 6 . 1 1 44 44 GLY C C 44 174.914 174.914 175.002 -0.088 25834 4960 1 6 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.782 -0.419 25834 4961 1 6 . 1 1 44 44 GLY H H 44 7.938 7.938 8.354 -0.416 25834 4962 1 6 . 1 1 45 45 VAL N N 45 106.862 106.862 118.891 -12.029 25834 4963 1 6 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.219 0.539 25834 4964 1 6 . 1 1 45 45 VAL C C 45 175.397 175.397 176.012 -0.615 25834 4965 1 6 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.075 -1.544 25834 4966 1 6 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.959 0.065 25834 4967 1 6 . 1 1 45 45 VAL H H 45 6.843 6.843 7.234 -0.391 25834 4968 1 6 . 1 1 46 46 THR N N 46 117.226 117.226 115.240 1.986 25834 4969 1 6 . 1 1 46 46 THR HA H 46 4.447 4.447 4.089 0.358 25834 4970 1 6 . 1 1 46 46 THR C C 46 172.087 172.087 174.536 -2.449 25834 4971 1 6 . 1 1 46 46 THR CA C 46 62.571 62.571 62.811 -0.240 25834 4972 1 6 . 1 1 46 46 THR CB C 46 68.863 68.863 69.311 -0.448 25834 4973 1 6 . 1 1 46 46 THR H H 46 7.093 7.093 7.383 -0.290 25834 4974 1 6 . 1 1 47 47 ASP N N 47 127.436 127.436 121.900 5.536 25834 4975 1 6 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.670 -0.053 25834 4976 1 6 . 1 1 47 47 ASP C C 47 174.684 174.684 176.830 -2.146 25834 4977 1 6 . 1 1 47 47 ASP CA C 47 52.604 52.604 53.363 -0.759 25834 4978 1 6 . 1 1 47 47 ASP CB C 47 42.737 42.737 40.962 1.774 25834 4979 1 6 . 1 1 47 47 ASP H H 47 7.612 7.612 8.538 -0.926 25834 4980 1 6 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.408 -0.419 25834 4981 1 6 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.400 -0.372 25834 4982 1 6 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.013 0.267 25834 4983 1 6 . 1 1 49 49 THR N N 49 114.121 114.121 112.881 1.240 25834 4984 1 6 . 1 1 49 49 THR HA H 49 4.189 4.189 4.334 -0.145 25834 4985 1 6 . 1 1 49 49 THR C C 49 177.000 177.000 176.591 0.409 25834 4986 1 6 . 1 1 49 49 THR CA C 49 66.844 66.844 64.295 2.549 25834 4987 1 6 . 1 1 49 49 THR CB C 49 67.824 67.824 68.617 -0.793 25834 4988 1 6 . 1 1 49 49 THR H H 49 7.942 7.942 8.072 -0.130 25834 4989 1 6 . 1 1 50 50 LYS N N 50 123.787 123.787 122.935 0.852 25834 4990 1 6 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.275 -0.358 25834 4991 1 6 . 1 1 50 50 LYS C C 50 177.547 177.547 178.530 -0.983 25834 4992 1 6 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.591 0.141 25834 4993 1 6 . 1 1 50 50 LYS CB C 50 33.315 33.315 31.782 1.533 25834 4994 1 6 . 1 1 50 50 LYS H H 50 7.070 7.070 7.970 -0.900 25834 4995 1 6 . 1 1 51 51 LEU N N 51 115.307 115.307 118.483 -3.176 25834 4996 1 6 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.012 -0.207 25834 4997 1 6 . 1 1 51 51 LEU C C 51 178.314 178.314 178.339 -0.025 25834 4998 1 6 . 1 1 51 51 LEU CA C 51 57.994 57.994 58.077 -0.083 25834 4999 1 6 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.714 -0.498 25834 5000 1 6 . 1 1 51 51 LEU H H 51 7.439 7.439 7.997 -0.558 25834 5001 1 6 . 1 1 52 52 ASN N N 52 115.979 115.979 117.293 -1.314 25834 5002 1 6 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.520 -0.248 25834 5003 1 6 . 1 1 52 52 ASN C C 52 178.387 178.387 176.843 1.544 25834 5004 1 6 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.674 -0.509 25834 5005 1 6 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.420 -0.529 25834 5006 1 6 . 1 1 52 52 ASN H H 52 8.533 8.533 8.001 0.532 25834 5007 1 6 . 1 1 53 53 ALA N N 53 119.261 119.261 121.285 -2.024 25834 5008 1 6 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.434 -0.204 25834 5009 1 6 . 1 1 53 53 ALA C C 53 179.957 179.957 178.991 0.966 25834 5010 1 6 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.083 -0.046 25834 5011 1 6 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.645 0.676 25834 5012 1 6 . 1 1 53 53 ALA H H 53 7.681 7.681 7.608 0.073 25834 5013 1 6 . 1 1 54 54 GLN N N 54 111.586 111.586 116.446 -4.860 25834 5014 1 6 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.567 -0.161 25834 5015 1 6 . 1 1 54 54 GLN C C 54 178.500 178.500 177.816 0.684 25834 5016 1 6 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.137 0.656 25834 5017 1 6 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.811 -0.380 25834 5018 1 6 . 1 1 54 54 GLN H H 54 7.905 7.905 7.818 0.087 25834 5019 1 6 . 1 1 55 55 VAL N N 55 120.362 120.362 119.365 0.997 25834 5020 1 6 . 1 1 55 55 VAL HA H 55 4.205 4.205 4.394 -0.189 25834 5021 1 6 . 1 1 55 55 VAL C C 55 174.795 174.795 176.604 -1.809 25834 5022 1 6 . 1 1 55 55 VAL CA C 55 64.682 64.682 63.305 1.377 25834 5023 1 6 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.530 -1.143 25834 5024 1 6 . 1 1 55 55 VAL H H 55 8.137 8.137 7.488 0.649 25834 5025 1 6 . 1 1 56 56 SER N N 56 114.478 114.478 113.771 0.707 25834 5026 1 6 . 1 1 56 56 SER HA H 56 3.882 3.882 4.159 -0.277 25834 5027 1 6 . 1 1 56 56 SER C C 56 174.256 174.256 174.933 -0.677 25834 5028 1 6 . 1 1 56 56 SER CA C 56 60.480 60.480 59.544 0.936 25834 5029 1 6 . 1 1 56 56 SER CB C 56 62.427 62.427 62.867 -0.440 25834 5030 1 6 . 1 1 56 56 SER H H 56 7.899 7.899 8.101 -0.202 25834 5031 1 6 . 1 1 57 57 TYR N N 57 117.315 117.315 117.986 -0.671 25834 5032 1 6 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.276 0.061 25834 5033 1 6 . 1 1 57 57 TYR C C 57 175.570 175.570 174.803 0.767 25834 5034 1 6 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.672 0.001 25834 5035 1 6 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.664 -0.400 25834 5036 1 6 . 1 1 57 57 TYR H H 57 7.662 7.662 7.433 0.229 25834 5037 1 6 . 1 1 58 58 PHE N N 58 118.544 118.544 114.370 4.174 25834 5038 1 6 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.721 -0.315 25834 5039 1 6 . 1 1 58 58 PHE C C 58 171.715 171.715 173.518 -1.803 25834 5040 1 6 . 1 1 58 58 PHE CA C 58 57.489 57.489 57.151 0.338 25834 5041 1 6 . 1 1 58 58 PHE CB C 58 41.401 41.401 42.169 -0.767 25834 5042 1 6 . 1 1 58 58 PHE H H 58 7.727 7.727 7.665 0.062 25834 5043 1 6 . 1 1 59 59 GLN N N 59 127.699 127.699 119.814 7.885 25834 5044 1 6 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.583 -0.866 25834 5045 1 6 . 1 1 59 59 GLN C C 59 172.421 172.421 174.865 -2.444 25834 5046 1 6 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.493 -0.281 25834 5047 1 6 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.911 -3.966 25834 5048 1 6 . 1 1 59 59 GLN H H 59 7.909 7.909 8.727 -0.818 25834 5049 1 6 . 1 1 60 60 CYS N N 60 125.668 125.668 123.441 2.227 25834 5050 1 6 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.670 -1.392 25834 5051 1 6 . 1 1 60 60 CYS C C 60 171.317 171.317 173.402 -2.085 25834 5052 1 6 . 1 1 60 60 CYS CA C 60 57.423 57.423 55.764 1.659 25834 5053 1 6 . 1 1 60 60 CYS CB C 60 26.588 26.588 28.292 -1.704 25834 5054 1 6 . 1 1 60 60 CYS H H 60 6.802 6.802 8.453 -1.651 25834 5055 1 6 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.265 -0.163 25834 5056 1 6 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.823 -0.353 25834 5057 1 6 . 1 1 62 62 PRO CB C 62 31.620 31.620 32.133 -0.513 25834 5058 1 6 . 1 1 63 63 TRP N N 63 110.609 110.609 114.815 -4.206 25834 5059 1 6 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.603 -0.171 25834 5060 1 6 . 1 1 63 63 TRP C C 63 176.764 176.764 174.866 1.898 25834 5061 1 6 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.499 -1.490 25834 5062 1 6 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.295 0.063 25834 5063 1 6 . 1 1 63 63 TRP H H 63 6.172 6.172 7.371 -1.199 25834 5064 1 6 . 1 1 64 64 ALA N N 64 124.983 124.983 121.387 3.596 25834 5065 1 6 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.436 0.980 25834 5066 1 6 . 1 1 64 64 ALA C C 64 176.025 176.025 177.020 -0.995 25834 5067 1 6 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.558 0.079 25834 5068 1 6 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.190 2.165 25834 5069 1 6 . 1 1 64 64 ALA H H 64 7.038 7.038 6.570 0.468 25834 5070 1 6 . 1 1 65 65 ALA N N 65 120.111 120.111 124.066 -3.955 25834 5071 1 6 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.037 0.568 25834 5072 1 6 . 1 1 65 65 ALA C C 65 175.012 175.012 176.245 -1.233 25834 5073 1 6 . 1 1 65 65 ALA CA C 65 50.868 50.868 53.075 -2.207 25834 5074 1 6 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.656 6.066 25834 5075 1 6 . 1 1 65 65 ALA H H 65 8.344 8.344 8.332 0.012 25834 5076 1 6 . 1 1 66 66 LEU N N 66 118.667 118.667 118.822 -0.155 25834 5077 1 6 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.636 -0.653 25834 5078 1 6 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.051 1.136 25834 5079 1 6 . 1 1 66 66 LEU CB C 66 42.535 42.535 42.855 -0.320 25834 5080 1 6 . 1 1 66 66 LEU H H 66 8.272 8.272 7.726 0.546 25834 5081 1 6 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.243 -1.092 25834 5082 1 6 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.527 0.593 25834 5083 1 6 . 1 1 67 67 PRO CB C 67 31.810 31.810 32.021 -0.211 25834 5084 1 6 . 1 1 68 68 SER N N 68 118.916 118.916 115.544 3.372 25834 5085 1 6 . 1 1 68 68 SER HA H 68 4.197 4.197 4.609 -0.412 25834 5086 1 6 . 1 1 68 68 SER C C 68 173.454 173.454 173.269 0.185 25834 5087 1 6 . 1 1 68 68 SER CA C 68 57.667 57.667 58.717 -1.050 25834 5088 1 6 . 1 1 68 68 SER CB C 68 63.129 63.129 64.036 -0.907 25834 5089 1 6 . 1 1 68 68 SER H H 68 6.468 6.468 8.632 -2.164 25834 5090 1 6 . 1 1 69 69 VAL N N 69 119.159 119.159 120.307 -1.148 25834 5091 1 6 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.287 -0.081 25834 5092 1 6 . 1 1 69 69 VAL C C 69 174.162 174.162 174.365 -0.203 25834 5093 1 6 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.885 -0.349 25834 5094 1 6 . 1 1 69 69 VAL CB C 69 34.809 34.809 34.817 -0.008 25834 5095 1 6 . 1 1 69 69 VAL H H 69 6.702 6.702 7.268 -0.566 25834 5096 1 6 . 1 1 70 70 ALA N N 70 128.571 128.571 129.273 -0.702 25834 5097 1 6 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.998 -0.774 25834 5098 1 6 . 1 1 70 70 ALA C C 70 176.888 176.888 176.440 0.448 25834 5099 1 6 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.754 1.136 25834 5100 1 6 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.631 0.087 25834 5101 1 6 . 1 1 70 70 ALA H H 70 8.486 8.486 8.604 -0.118 25834 5102 1 6 . 1 1 71 71 CYS N N 71 120.365 120.365 121.420 -1.055 25834 5103 1 6 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.100 0.346 25834 5104 1 6 . 1 1 71 71 CYS C C 71 173.126 173.126 173.280 -0.154 25834 5105 1 6 . 1 1 71 71 CYS CA C 71 58.111 58.111 57.086 1.025 25834 5106 1 6 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.590 0.143 25834 5107 1 6 . 1 1 71 71 CYS H H 71 8.222 8.222 8.721 -0.499 25834 5108 1 6 . 1 1 72 72 HIS N N 72 114.002 114.002 114.846 -0.844 25834 5109 1 6 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.028 -0.175 25834 5110 1 6 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.994 -0.060 25834 5111 1 6 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.278 -0.820 25834 5112 1 6 . 1 1 72 72 HIS H H 72 9.033 9.033 8.785 0.248 25834 5113 1 6 . 1 1 73 73 LEU N N 73 117.312 117.312 120.650 -3.338 25834 5114 1 6 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.814 0.209 25834 5115 1 6 . 1 1 73 73 LEU C C 73 176.776 176.776 174.721 2.055 25834 5116 1 6 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.792 -1.158 25834 5117 1 6 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.740 -3.378 25834 5118 1 6 . 1 1 73 73 LEU H H 73 9.300 9.300 8.267 1.033 25834 5119 1 6 . 1 1 74 74 GLN N N 74 125.734 125.734 124.709 1.025 25834 5120 1 6 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.662 -0.077 25834 5121 1 6 . 1 1 74 74 GLN C C 74 175.495 175.495 174.031 1.464 25834 5122 1 6 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.381 0.584 25834 5123 1 6 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.573 -1.056 25834 5124 1 6 . 1 1 74 74 GLN H H 74 9.117 9.117 8.959 0.158 25834 5125 1 6 . 1 1 75 75 CYS N N 75 129.141 129.141 126.481 2.660 25834 5126 1 6 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.487 -0.440 25834 5127 1 6 . 1 1 75 75 CYS C C 75 173.524 173.524 174.649 -1.125 25834 5128 1 6 . 1 1 75 75 CYS CA C 75 57.494 57.494 56.608 0.886 25834 5129 1 6 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.265 -1.972 25834 5130 1 6 . 1 1 75 75 CYS H H 75 9.362 9.362 8.907 0.455 25834 5131 1 6 . 1 1 76 76 THR N N 76 120.173 120.173 115.442 4.731 25834 5132 1 6 . 1 1 76 76 THR HA H 76 5.014 5.014 4.954 0.060 25834 5133 1 6 . 1 1 76 76 THR C C 76 172.958 172.958 173.796 -0.838 25834 5134 1 6 . 1 1 76 76 THR CA C 76 59.790 59.790 59.950 -0.160 25834 5135 1 6 . 1 1 76 76 THR CB C 76 72.870 72.870 70.457 2.413 25834 5136 1 6 . 1 1 76 76 THR H H 76 8.477 8.477 8.094 0.383 25834 5137 1 6 . 1 1 77 77 ARG N N 77 121.783 121.783 120.103 1.680 25834 5138 1 6 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.447 -0.035 25834 5139 1 6 . 1 1 77 77 ARG C C 77 175.808 175.808 175.076 0.732 25834 5140 1 6 . 1 1 77 77 ARG CA C 77 55.721 55.721 56.155 -0.434 25834 5141 1 6 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.325 0.839 25834 5142 1 6 . 1 1 77 77 ARG H H 77 8.769 8.769 8.037 0.732 25834 5143 1 6 . 1 1 78 78 ASP N N 78 130.879 130.879 124.207 6.672 25834 5144 1 6 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.361 -0.171 25834 5145 1 6 . 1 1 78 78 ASP C C 78 175.472 175.472 176.195 -0.723 25834 5146 1 6 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.762 -0.053 25834 5147 1 6 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.724 -0.063 25834 5148 1 6 . 1 1 78 78 ASP H H 78 9.499 9.499 9.262 0.237 25834 5149 1 6 . 1 1 79 79 GLY N N 79 102.423 102.423 103.535 -1.112 25834 5150 1 6 . 1 1 79 79 GLY C C 79 173.613 173.613 173.690 -0.077 25834 5151 1 6 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.137 -0.175 25834 5152 1 6 . 1 1 79 79 GLY H H 79 8.361 8.361 8.258 0.103 25834 5153 1 6 . 1 1 80 80 LEU N N 80 123.754 123.754 121.994 1.760 25834 5154 1 6 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.666 0.321 25834 5155 1 6 . 1 1 80 80 LEU C C 80 174.659 174.659 174.982 -0.323 25834 5156 1 6 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.328 0.862 25834 5157 1 6 . 1 1 80 80 LEU CB C 80 42.053 42.053 42.937 -0.884 25834 5158 1 6 . 1 1 80 80 LEU H H 80 7.775 7.775 7.703 0.072 25834 5159 1 6 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.407 0.160 25834 5160 1 6 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.577 0.283 25834 5161 1 6 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.695 1.765 25834 5162 1 6 . 1 1 82 82 LEU N N 82 126.089 126.089 125.212 0.877 25834 5163 1 6 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.460 0.529 25834 5164 1 6 . 1 1 82 82 LEU C C 82 174.148 174.148 176.021 -1.873 25834 5165 1 6 . 1 1 82 82 LEU CA C 82 52.635 52.635 53.054 -0.419 25834 5166 1 6 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.678 1.323 25834 5167 1 6 . 1 1 82 82 LEU H H 82 8.131 8.131 7.704 0.427 25834 5168 1 6 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.447 -0.257 25834 5169 1 6 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.849 0.991 25834 5170 1 6 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.816 0.264 25834 5171 1 6 . 1 1 84 84 ALA N N 84 123.359 123.359 128.090 -4.731 25834 5172 1 6 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.515 -0.324 25834 5173 1 6 . 1 1 84 84 ALA C C 84 178.112 178.112 176.532 1.580 25834 5174 1 6 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.312 -0.558 25834 5175 1 6 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.351 0.791 25834 5176 1 6 . 1 1 84 84 ALA H H 84 8.063 8.063 8.380 -0.317 25834 5177 1 6 . 1 1 85 85 LEU N N 85 118.757 118.757 121.701 -2.944 25834 5178 1 6 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.531 0.102 25834 5179 1 6 . 1 1 85 85 LEU C C 85 177.225 177.225 176.518 0.707 25834 5180 1 6 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.364 -1.006 25834 5181 1 6 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.926 -3.757 25834 5182 1 6 . 1 1 85 85 LEU H H 85 8.393 8.393 8.219 0.174 25834 5183 1 6 . 1 1 86 86 GLY N N 86 112.143 112.143 109.976 2.167 25834 5184 1 6 . 1 1 86 86 GLY C C 86 173.704 173.704 175.040 -1.336 25834 5185 1 6 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.199 1.681 25834 5186 1 6 . 1 1 86 86 GLY H H 86 9.046 9.046 8.600 0.446 25834 5187 1 6 . 1 1 87 87 LEU N N 87 123.289 123.289 127.584 -4.295 25834 5188 1 6 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.154 0.377 25834 5189 1 6 . 1 1 87 87 LEU C C 87 177.568 177.568 176.435 1.133 25834 5190 1 6 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.617 -0.659 25834 5191 1 6 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.882 3.029 25834 5192 1 6 . 1 1 87 87 LEU H H 87 7.934 7.934 8.210 -0.276 25834 5193 1 6 . 1 1 88 88 HIS N N 88 116.221 116.221 117.168 -0.947 25834 5194 1 6 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.274 -0.403 25834 5195 1 6 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.935 2.633 25834 5196 1 6 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.015 1.761 25834 5197 1 6 . 1 1 88 88 HIS H H 88 9.253 9.253 7.978 1.275 25834 5198 1 6 . 1 1 89 89 ARG N N 89 118.280 118.280 117.906 0.374 25834 5199 1 6 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.344 -0.304 25834 5200 1 6 . 1 1 89 89 ARG C C 89 175.205 175.205 176.151 -0.946 25834 5201 1 6 . 1 1 89 89 ARG CA C 89 57.531 57.531 56.855 0.676 25834 5202 1 6 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.354 1.449 25834 5203 1 6 . 1 1 89 89 ARG H H 89 7.300 7.300 8.604 -1.304 25834 5204 1 6 . 1 1 90 90 PHE N N 90 113.880 113.880 117.845 -3.965 25834 5205 1 6 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.808 0.595 25834 5206 1 6 . 1 1 90 90 PHE C C 90 172.663 172.663 173.760 -1.097 25834 5207 1 6 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.836 -2.481 25834 5208 1 6 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.589 -0.479 25834 5209 1 6 . 1 1 90 90 PHE H H 90 7.252 7.252 7.766 -0.514 25834 5210 1 6 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.426 0.423 25834 5211 1 6 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.335 -0.995 25834 5212 1 6 . 1 1 91 91 PRO CB C 91 32.970 32.970 32.039 0.931 25834 5213 1 6 . 1 1 92 92 PHE N N 92 104.480 104.480 113.886 -9.406 25834 5214 1 6 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.677 0.296 25834 5215 1 6 . 1 1 92 92 PHE C C 92 172.347 172.347 173.529 -1.182 25834 5216 1 6 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.698 -0.338 25834 5217 1 6 . 1 1 92 92 PHE CB C 92 41.747 41.747 42.154 -0.407 25834 5218 1 6 . 1 1 92 92 PHE H H 92 6.117 6.117 6.965 -0.848 25834 5219 1 6 . 1 1 93 93 TYR N N 93 120.959 120.959 118.342 2.617 25834 5220 1 6 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.951 -0.582 25834 5221 1 6 . 1 1 93 93 TYR C C 93 173.417 173.417 174.414 -0.997 25834 5222 1 6 . 1 1 93 93 TYR CA C 93 57.388 57.388 56.861 0.527 25834 5223 1 6 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.950 1.500 25834 5224 1 6 . 1 1 93 93 TYR H H 93 9.370 9.370 8.961 0.409 25834 5225 1 6 . 1 1 94 94 LEU N N 94 123.359 123.359 124.737 -1.378 25834 5226 1 6 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.533 0.550 25834 5227 1 6 . 1 1 94 94 LEU C C 94 176.045 176.045 175.536 0.509 25834 5228 1 6 . 1 1 94 94 LEU CA C 94 54.107 54.107 54.116 -0.009 25834 5229 1 6 . 1 1 94 94 LEU CB C 94 45.173 45.173 42.927 2.246 25834 5230 1 6 . 1 1 94 94 LEU H H 94 10.272 10.272 8.872 1.400 25834 5231 1 6 . 1 1 95 95 PHE N N 95 119.493 119.493 125.073 -5.580 25834 5232 1 6 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.849 0.388 25834 5233 1 6 . 1 1 95 95 PHE C C 95 175.870 175.870 175.094 0.776 25834 5234 1 6 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.693 -0.924 25834 5235 1 6 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.569 1.761 25834 5236 1 6 . 1 1 95 95 PHE H H 95 8.761 8.761 8.828 -0.067 25834 5237 1 6 . 1 1 96 96 GLY N N 96 109.374 109.374 111.162 -1.788 25834 5238 1 6 . 1 1 96 96 GLY C C 96 170.712 170.712 172.577 -1.865 25834 5239 1 6 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.364 0.022 25834 5240 1 6 . 1 1 96 96 GLY H H 96 7.966 7.966 8.427 -0.461 25834 5241 1 6 . 1 1 97 97 ARG N N 97 119.683 119.683 120.326 -0.643 25834 5242 1 6 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.674 -0.025 25834 5243 1 6 . 1 1 97 97 ARG C C 97 177.225 177.225 176.118 1.107 25834 5244 1 6 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.444 2.055 25834 5245 1 6 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.653 0.221 25834 5246 1 6 . 1 1 97 97 ARG H H 97 8.147 8.147 8.109 0.038 25834 5247 1 6 . 1 1 98 98 SER N N 98 113.711 113.711 116.178 -2.467 25834 5248 1 6 . 1 1 98 98 SER HA H 98 4.337 4.337 4.404 -0.067 25834 5249 1 6 . 1 1 98 98 SER C C 98 176.172 176.172 175.789 0.383 25834 5250 1 6 . 1 1 98 98 SER CA C 98 57.909 57.909 58.179 -0.270 25834 5251 1 6 . 1 1 98 98 SER CB C 98 63.085 63.085 63.968 -0.883 25834 5252 1 6 . 1 1 98 98 SER H H 98 9.133 9.133 7.679 1.454 25834 5253 1 6 . 1 1 99 99 LYS N N 99 124.590 124.590 121.895 2.695 25834 5254 1 6 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.248 -0.304 25834 5255 1 6 . 1 1 99 99 LYS C C 99 176.548 176.548 176.369 0.179 25834 5256 1 6 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.613 0.580 25834 5257 1 6 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.761 -0.100 25834 5258 1 6 . 1 1 99 99 LYS H H 99 8.451 8.451 8.815 -0.364 25834 5259 1 6 . 1 1 100 100 VAL N N 100 114.126 114.126 114.719 -0.593 25834 5260 1 6 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.217 -0.319 25834 5261 1 6 . 1 1 100 100 VAL C C 100 176.832 176.832 176.161 0.671 25834 5262 1 6 . 1 1 100 100 VAL CA C 100 62.964 62.964 60.762 2.202 25834 5263 1 6 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.074 0.619 25834 5264 1 6 . 1 1 100 100 VAL H H 100 7.512 7.512 7.412 0.100 25834 5265 1 6 . 1 1 101 101 CYS N N 101 119.359 119.359 118.820 0.539 25834 5266 1 6 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.382 -0.895 25834 5267 1 6 . 1 1 101 101 CYS C C 101 172.156 172.156 175.388 -3.232 25834 5268 1 6 . 1 1 101 101 CYS CA C 101 61.155 61.155 58.995 2.160 25834 5269 1 6 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.638 -2.790 25834 5270 1 6 . 1 1 101 101 CYS H H 101 7.641 7.641 7.170 0.471 25834 5271 1 6 . 1 1 102 102 ASP N N 102 118.734 118.734 119.629 -0.895 25834 5272 1 6 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.384 -0.455 25834 5273 1 6 . 1 1 102 102 ASP C C 102 175.410 175.410 175.265 0.145 25834 5274 1 6 . 1 1 102 102 ASP CA C 102 57.029 57.029 54.848 2.181 25834 5275 1 6 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.260 1.668 25834 5276 1 6 . 1 1 102 102 ASP H H 102 7.367 7.367 8.326 -0.959 25834 5277 1 6 . 1 1 103 103 TYR N N 103 114.004 114.004 118.547 -4.543 25834 5278 1 6 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.577 0.655 25834 5279 1 6 . 1 1 103 103 TYR C C 103 172.997 172.997 173.685 -0.688 25834 5280 1 6 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.499 -0.145 25834 5281 1 6 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.634 -2.354 25834 5282 1 6 . 1 1 103 103 TYR H H 103 7.111 7.111 7.448 -0.337 25834 5283 1 6 . 1 1 104 104 VAL N N 104 124.660 124.660 125.798 -1.138 25834 5284 1 6 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.555 -0.030 25834 5285 1 6 . 1 1 104 104 VAL C C 104 176.491 176.491 175.946 0.545 25834 5286 1 6 . 1 1 104 104 VAL CA C 104 61.221 61.221 62.652 -1.431 25834 5287 1 6 . 1 1 104 104 VAL CB C 104 31.806 31.806 31.971 -0.165 25834 5288 1 6 . 1 1 104 104 VAL H H 104 8.210 8.210 8.423 -0.213 25834 5289 1 6 . 1 1 105 105 LEU N N 105 130.546 130.546 129.862 0.684 25834 5290 1 6 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.904 -0.337 25834 5291 1 6 . 1 1 105 105 LEU C C 105 175.794 175.794 176.209 -0.415 25834 5292 1 6 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.571 -0.713 25834 5293 1 6 . 1 1 105 105 LEU CB C 105 43.199 43.199 43.947 -0.748 25834 5294 1 6 . 1 1 105 105 LEU H H 105 8.217 8.217 8.250 -0.033 25834 5295 1 6 . 1 1 106 106 GLU N N 106 117.285 117.285 119.784 -2.499 25834 5296 1 6 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.658 -0.409 25834 5297 1 6 . 1 1 106 106 GLU C C 106 176.698 176.698 175.193 1.505 25834 5298 1 6 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.155 0.498 25834 5299 1 6 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.560 0.590 25834 5300 1 6 . 1 1 106 106 GLU H H 106 8.219 8.219 8.428 -0.209 25834 5301 1 6 . 1 1 107 107 HIS N N 107 123.685 123.685 123.269 0.416 25834 5302 1 6 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.824 -0.973 25834 5303 1 6 . 1 1 107 107 HIS CA C 107 58.239 58.239 55.054 3.185 25834 5304 1 6 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.030 -1.111 25834 5305 1 6 . 1 1 107 107 HIS H H 107 7.703 7.703 8.483 -0.780 25834 5306 1 6 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.545 -0.405 25834 5307 1 6 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.209 0.441 25834 5308 1 6 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.451 -0.431 25834 5309 1 6 . 1 1 109 109 SER N N 109 114.134 114.134 113.486 0.648 25834 5310 1 6 . 1 1 109 109 SER HA H 109 4.326 4.326 4.568 -0.242 25834 5311 1 6 . 1 1 109 109 SER C C 109 174.553 174.553 174.897 -0.344 25834 5312 1 6 . 1 1 109 109 SER CA C 109 59.214 59.214 59.221 -0.007 25834 5313 1 6 . 1 1 109 109 SER CB C 109 64.953 64.953 63.964 0.989 25834 5314 1 6 . 1 1 109 109 SER H H 109 9.035 9.035 8.071 0.964 25834 5315 1 6 . 1 1 110 110 ILE N N 110 128.498 128.498 123.728 4.770 25834 5316 1 6 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.094 0.125 25834 5317 1 6 . 1 1 110 110 ILE C C 110 175.968 175.968 175.878 0.090 25834 5318 1 6 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.237 -2.334 25834 5319 1 6 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.595 -0.857 25834 5320 1 6 . 1 1 110 110 ILE H H 110 8.103 8.103 8.013 0.090 25834 5321 1 6 . 1 1 111 111 SER N N 111 127.509 127.509 122.929 4.580 25834 5322 1 6 . 1 1 111 111 SER HA H 111 4.207 4.207 4.856 -0.649 25834 5323 1 6 . 1 1 111 111 SER C C 111 174.300 174.300 175.640 -1.340 25834 5324 1 6 . 1 1 111 111 SER CA C 111 60.844 60.844 57.397 3.447 25834 5325 1 6 . 1 1 111 111 SER CB C 111 64.891 64.891 65.710 -0.819 25834 5326 1 6 . 1 1 111 111 SER H H 111 11.497 11.497 8.247 3.250 25834 5327 1 6 . 1 1 112 112 SER N N 112 120.261 120.261 115.951 4.310 25834 5328 1 6 . 1 1 112 112 SER HA H 112 4.208 4.208 4.343 -0.135 25834 5329 1 6 . 1 1 112 112 SER C C 112 174.250 174.250 173.983 0.267 25834 5330 1 6 . 1 1 112 112 SER CA C 112 63.258 63.258 60.779 2.479 25834 5331 1 6 . 1 1 112 112 SER CB C 112 62.194 62.194 63.193 -0.999 25834 5332 1 6 . 1 1 112 112 SER H H 112 9.135 9.135 8.813 0.322 25834 5333 1 6 . 1 1 113 113 VAL N N 113 118.006 118.006 112.433 5.573 25834 5334 1 6 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.472 -0.819 25834 5335 1 6 . 1 1 113 113 VAL C C 113 173.570 173.570 174.472 -0.902 25834 5336 1 6 . 1 1 113 113 VAL CA C 113 64.376 64.376 61.195 3.181 25834 5337 1 6 . 1 1 113 113 VAL CB C 113 32.216 32.216 31.539 0.677 25834 5338 1 6 . 1 1 113 113 VAL H H 113 7.781 7.781 7.543 0.238 25834 5339 1 6 . 1 1 114 114 HIS N N 114 128.080 128.080 124.744 3.336 25834 5340 1 6 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.463 -0.269 25834 5341 1 6 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.847 -1.425 25834 5342 1 6 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.175 4.880 25834 5343 1 6 . 1 1 114 114 HIS H H 114 8.875 8.875 8.231 0.644 25834 5344 1 6 . 1 1 115 115 ALA N N 115 114.264 114.264 114.791 -0.527 25834 5345 1 6 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.956 0.275 25834 5346 1 6 . 1 1 115 115 ALA C C 115 173.729 173.729 174.604 -0.875 25834 5347 1 6 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.148 -0.190 25834 5348 1 6 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.817 1.788 25834 5349 1 6 . 1 1 115 115 ALA H H 115 8.250 8.250 7.723 0.527 25834 5350 1 6 . 1 1 116 116 VAL N N 116 116.683 116.683 118.607 -1.924 25834 5351 1 6 . 1 1 116 116 VAL HA H 116 5.858 5.858 5.228 0.630 25834 5352 1 6 . 1 1 116 116 VAL C C 116 173.135 173.135 173.699 -0.564 25834 5353 1 6 . 1 1 116 116 VAL CA C 116 57.808 57.808 60.097 -2.289 25834 5354 1 6 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.611 0.569 25834 5355 1 6 . 1 1 116 116 VAL H H 116 8.808 8.808 7.774 1.034 25834 5356 1 6 . 1 1 117 117 LEU N N 117 124.933 124.933 127.042 -2.109 25834 5357 1 6 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.373 0.381 25834 5358 1 6 . 1 1 117 117 LEU C C 117 174.233 174.233 175.490 -1.257 25834 5359 1 6 . 1 1 117 117 LEU CA C 117 53.912 53.912 53.084 0.828 25834 5360 1 6 . 1 1 117 117 LEU CB C 117 46.129 46.129 43.833 2.296 25834 5361 1 6 . 1 1 117 117 LEU H H 117 8.799 8.799 8.319 0.480 25834 5362 1 6 . 1 1 118 118 VAL N N 118 123.453 123.453 120.150 3.303 25834 5363 1 6 . 1 1 118 118 VAL HA H 118 5.437 5.437 5.011 0.426 25834 5364 1 6 . 1 1 118 118 VAL C C 118 174.261 174.261 175.511 -1.250 25834 5365 1 6 . 1 1 118 118 VAL CA C 118 59.238 59.238 61.390 -2.152 25834 5366 1 6 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.422 -0.353 25834 5367 1 6 . 1 1 118 118 VAL H H 118 10.009 10.009 8.366 1.643 25834 5368 1 6 . 1 1 119 119 PHE N N 119 132.016 132.016 128.231 3.785 25834 5369 1 6 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.651 0.195 25834 5370 1 6 . 1 1 119 119 PHE C C 119 172.828 172.828 174.657 -1.829 25834 5371 1 6 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.945 3.344 25834 5372 1 6 . 1 1 119 119 PHE CB C 119 37.640 37.640 38.039 -0.399 25834 5373 1 6 . 1 1 119 119 PHE H H 119 9.544 9.544 8.575 0.969 25834 5374 1 6 . 1 1 120 120 HIS N N 120 130.718 130.718 127.623 3.095 25834 5375 1 6 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.899 -1.055 25834 5376 1 6 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.461 -1.633 25834 5377 1 6 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.160 2.116 25834 5378 1 6 . 1 1 120 120 HIS H H 120 8.365 8.365 8.283 0.082 25834 5379 1 6 . 1 1 121 121 GLY N N 121 111.906 111.906 114.036 -2.130 25834 5380 1 6 . 1 1 121 121 GLY C C 121 174.992 174.992 174.487 0.505 25834 5381 1 6 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.711 2.259 25834 5382 1 6 . 1 1 121 121 GLY H H 121 8.150 8.150 8.606 -0.456 25834 5383 1 6 . 1 1 122 122 GLY N N 122 111.156 111.156 108.651 2.505 25834 5384 1 6 . 1 1 122 122 GLY C C 122 175.834 175.834 175.378 0.456 25834 5385 1 6 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.971 0.425 25834 5386 1 6 . 1 1 122 122 GLY H H 122 9.055 9.055 7.834 1.221 25834 5387 1 6 . 1 1 123 123 GLN N N 123 121.769 121.769 118.442 3.327 25834 5388 1 6 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.384 -0.450 25834 5389 1 6 . 1 1 123 123 GLN C C 123 175.649 175.649 176.453 -0.804 25834 5390 1 6 . 1 1 123 123 GLN CA C 123 56.432 56.432 55.184 1.248 25834 5391 1 6 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.013 0.412 25834 5392 1 6 . 1 1 123 123 GLN H H 123 9.270 9.270 7.790 1.480 25834 5393 1 6 . 1 1 124 124 ARG N N 124 115.831 115.831 115.673 0.158 25834 5394 1 6 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.191 -0.725 25834 5395 1 6 . 1 1 124 124 ARG C C 124 173.830 173.830 174.909 -1.079 25834 5396 1 6 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.493 -0.302 25834 5397 1 6 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.325 -0.697 25834 5398 1 6 . 1 1 124 124 ARG H H 124 8.141 8.141 8.081 0.060 25834 5399 1 6 . 1 1 125 125 CYS N N 125 111.895 111.895 116.240 -4.345 25834 5400 1 6 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.623 -0.133 25834 5401 1 6 . 1 1 125 125 CYS C C 125 172.037 172.037 174.136 -2.099 25834 5402 1 6 . 1 1 125 125 CYS CA C 125 55.647 55.647 57.228 -1.581 25834 5403 1 6 . 1 1 125 125 CYS CB C 125 30.488 30.488 31.238 -0.750 25834 5404 1 6 . 1 1 125 125 CYS H H 125 6.808 6.808 7.584 -0.776 25834 5405 1 6 . 1 1 126 126 PHE N N 126 119.776 119.776 123.732 -3.956 25834 5406 1 6 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.737 0.068 25834 5407 1 6 . 1 1 126 126 PHE C C 126 175.431 175.431 175.663 -0.232 25834 5408 1 6 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.402 1.323 25834 5409 1 6 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.430 1.082 25834 5410 1 6 . 1 1 126 126 PHE H H 126 9.599 9.599 9.244 0.355 25834 5411 1 6 . 1 1 127 127 VAL N N 127 119.700 119.700 124.343 -4.643 25834 5412 1 6 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.311 0.314 25834 5413 1 6 . 1 1 127 127 VAL C C 127 173.499 173.499 174.845 -1.346 25834 5414 1 6 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.844 -1.343 25834 5415 1 6 . 1 1 127 127 VAL CB C 127 34.354 34.354 32.124 2.230 25834 5416 1 6 . 1 1 127 127 VAL H H 127 9.594 9.594 8.841 0.753 25834 5417 1 6 . 1 1 128 128 LEU N N 128 129.107 129.107 130.588 -1.481 25834 5418 1 6 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.306 0.111 25834 5419 1 6 . 1 1 128 128 LEU C C 128 175.310 175.310 175.278 0.032 25834 5420 1 6 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.276 -0.286 25834 5421 1 6 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.649 1.886 25834 5422 1 6 . 1 1 128 128 LEU H H 128 9.545 9.545 8.347 1.198 25834 5423 1 6 . 1 1 129 129 MET N N 129 119.581 119.581 123.655 -4.074 25834 5424 1 6 . 1 1 129 129 MET HA H 129 4.792 4.792 5.003 -0.211 25834 5425 1 6 . 1 1 129 129 MET C C 129 174.562 174.562 174.613 -0.051 25834 5426 1 6 . 1 1 129 129 MET CA C 129 54.980 54.980 54.581 0.399 25834 5427 1 6 . 1 1 129 129 MET CB C 129 38.129 38.129 36.883 1.246 25834 5428 1 6 . 1 1 129 129 MET H H 129 8.724 8.724 8.061 0.663 25834 5429 1 6 . 1 1 130 130 ASP N N 130 124.566 124.566 121.923 2.643 25834 5430 1 6 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.065 -0.393 25834 5431 1 6 . 1 1 130 130 ASP C C 130 178.291 178.291 178.127 0.164 25834 5432 1 6 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.028 0.738 25834 5433 1 6 . 1 1 130 130 ASP CB C 130 42.063 42.063 42.662 -0.599 25834 5434 1 6 . 1 1 130 130 ASP H H 130 9.500 9.500 8.785 0.715 25834 5435 1 6 . 1 1 131 131 LEU N N 131 129.917 129.917 123.733 6.184 25834 5436 1 6 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.364 0.063 25834 5437 1 6 . 1 1 131 131 LEU C C 131 176.172 176.172 176.859 -0.687 25834 5438 1 6 . 1 1 131 131 LEU CA C 131 54.227 54.227 56.099 -1.872 25834 5439 1 6 . 1 1 131 131 LEU CB C 131 39.713 39.713 42.350 -2.637 25834 5440 1 6 . 1 1 131 131 LEU H H 131 8.182 8.182 7.964 0.218 25834 5441 1 6 . 1 1 132 132 GLY N N 132 107.323 107.323 105.382 1.941 25834 5442 1 6 . 1 1 132 132 GLY C C 132 174.507 174.507 174.006 0.501 25834 5443 1 6 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.305 1.966 25834 5444 1 6 . 1 1 132 132 GLY H H 132 8.233 8.233 7.787 0.446 25834 5445 1 6 . 1 1 133 133 SER N N 133 119.398 119.398 114.705 4.693 25834 5446 1 6 . 1 1 133 133 SER HA H 133 4.091 4.091 4.524 -0.433 25834 5447 1 6 . 1 1 133 133 SER C C 133 175.194 175.194 175.291 -0.097 25834 5448 1 6 . 1 1 133 133 SER CA C 133 59.003 59.003 57.698 1.305 25834 5449 1 6 . 1 1 133 133 SER CB C 133 62.766 62.766 64.702 -1.936 25834 5450 1 6 . 1 1 133 133 SER H H 133 9.111 9.111 8.325 0.786 25834 5451 1 6 . 1 1 134 134 THR N N 134 117.002 117.002 116.291 0.711 25834 5452 1 6 . 1 1 134 134 THR HA H 134 3.917 3.917 4.274 -0.357 25834 5453 1 6 . 1 1 134 134 THR C C 134 176.542 176.542 175.037 1.505 25834 5454 1 6 . 1 1 134 134 THR CA C 134 66.444 66.444 63.476 2.968 25834 5455 1 6 . 1 1 134 134 THR CB C 134 68.876 68.876 68.836 0.040 25834 5456 1 6 . 1 1 134 134 THR H H 134 7.136 7.136 8.698 -1.562 25834 5457 1 6 . 1 1 135 135 ASN N N 135 114.018 114.018 118.388 -4.370 25834 5458 1 6 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.705 0.189 25834 5459 1 6 . 1 1 135 135 ASN C C 135 175.875 175.875 175.181 0.694 25834 5460 1 6 . 1 1 135 135 ASN CA C 135 53.679 53.679 53.277 0.402 25834 5461 1 6 . 1 1 135 135 ASN CB C 135 39.207 39.207 39.040 0.167 25834 5462 1 6 . 1 1 135 135 ASN H H 135 9.243 9.243 7.600 1.643 25834 5463 1 6 . 1 1 136 136 GLY N N 136 106.575 106.575 107.506 -0.931 25834 5464 1 6 . 1 1 136 136 GLY C C 136 174.404 174.404 172.883 1.521 25834 5465 1 6 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.642 1.370 25834 5466 1 6 . 1 1 136 136 GLY H H 136 7.533 7.533 7.628 -0.095 25834 5467 1 6 . 1 1 137 137 VAL N N 137 123.037 123.037 121.484 1.553 25834 5468 1 6 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.461 0.093 25834 5469 1 6 . 1 1 137 137 VAL C C 137 173.367 173.367 174.727 -1.360 25834 5470 1 6 . 1 1 137 137 VAL CA C 137 61.221 61.221 60.396 0.825 25834 5471 1 6 . 1 1 137 137 VAL CB C 137 36.191 36.191 35.001 1.190 25834 5472 1 6 . 1 1 137 137 VAL H H 137 9.270 9.270 8.644 0.626 25834 5473 1 6 . 1 1 138 138 LYS N N 138 123.932 123.932 123.381 0.551 25834 5474 1 6 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.493 0.415 25834 5475 1 6 . 1 1 138 138 LYS C C 138 174.454 174.454 174.657 -0.203 25834 5476 1 6 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.126 -0.606 25834 5477 1 6 . 1 1 138 138 LYS CB C 138 35.859 35.859 34.778 1.081 25834 5478 1 6 . 1 1 138 138 LYS H H 138 8.779 8.779 8.075 0.704 25834 5479 1 6 . 1 1 139 139 LEU N N 139 124.937 124.937 123.496 1.441 25834 5480 1 6 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.649 0.386 25834 5481 1 6 . 1 1 139 139 LEU C C 139 176.335 176.335 175.951 0.384 25834 5482 1 6 . 1 1 139 139 LEU CA C 139 52.721 52.721 54.185 -1.464 25834 5483 1 6 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.578 0.549 25834 5484 1 6 . 1 1 139 139 LEU H H 139 8.528 8.528 8.594 -0.066 25834 5485 1 6 . 1 1 140 140 ASN N N 140 128.375 128.375 124.785 3.590 25834 5486 1 6 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.619 -0.223 25834 5487 1 6 . 1 1 140 140 ASN C C 140 175.256 175.256 174.860 0.396 25834 5488 1 6 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.539 -0.127 25834 5489 1 6 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.910 -1.031 25834 5490 1 6 . 1 1 140 140 ASN H H 140 10.056 10.056 9.112 0.944 25834 5491 1 6 . 1 1 141 141 GLY N N 141 101.602 101.602 103.925 -2.323 25834 5492 1 6 . 1 1 141 141 GLY C C 141 173.265 173.265 173.364 -0.099 25834 5493 1 6 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.000 -0.028 25834 5494 1 6 . 1 1 141 141 GLY H H 141 8.811 8.811 8.500 0.311 25834 5495 1 6 . 1 1 142 142 ASN N N 142 118.060 118.060 118.725 -0.665 25834 5496 1 6 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.942 0.066 25834 5497 1 6 . 1 1 142 142 ASN C C 142 174.106 174.106 174.084 0.022 25834 5498 1 6 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.477 -0.881 25834 5499 1 6 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.393 -0.355 25834 5500 1 6 . 1 1 142 142 ASN H H 142 7.512 7.512 8.039 -0.527 25834 5501 1 6 . 1 1 143 143 ARG N N 143 125.882 125.882 124.511 1.371 25834 5502 1 6 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.356 0.265 25834 5503 1 6 . 1 1 143 143 ARG C C 143 177.077 177.077 175.555 1.522 25834 5504 1 6 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.132 -0.192 25834 5505 1 6 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.122 -0.335 25834 5506 1 6 . 1 1 143 143 ARG H H 143 8.975 8.975 8.664 0.311 25834 5507 1 6 . 1 1 144 144 ILE N N 144 124.442 124.442 120.349 4.093 25834 5508 1 6 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.587 -0.016 25834 5509 1 6 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.373 2.422 25834 5510 1 6 . 1 1 144 144 ILE CB C 144 39.273 39.273 40.854 -1.581 25834 5511 1 6 . 1 1 144 144 ILE H H 144 6.907 6.907 7.863 -0.956 25834 5512 1 6 . 1 1 145 145 GLU N N 145 122.815 122.815 121.502 1.313 25834 5513 1 6 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.236 -0.032 25834 5514 1 6 . 1 1 145 145 GLU C C 145 176.123 176.123 175.727 0.396 25834 5515 1 6 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.653 -1.318 25834 5516 1 6 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.107 0.485 25834 5517 1 6 . 1 1 145 145 GLU H H 145 8.628 8.628 8.532 0.096 25834 5518 1 6 . 1 1 146 146 LYS N N 146 122.367 122.367 117.612 4.755 25834 5519 1 6 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.480 -0.364 25834 5520 1 6 . 1 1 146 146 LYS C C 146 175.811 175.811 176.182 -0.371 25834 5521 1 6 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.776 3.179 25834 5522 1 6 . 1 1 146 146 LYS CB C 146 33.562 33.562 33.912 -0.350 25834 5523 1 6 . 1 1 146 146 LYS H H 146 8.755 8.755 7.979 0.776 25834 5524 1 6 . 1 1 147 147 ARG N N 147 115.303 115.303 116.652 -1.349 25834 5525 1 6 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.022 -0.365 25834 5526 1 6 . 1 1 147 147 ARG C C 147 174.121 174.121 175.398 -1.277 25834 5527 1 6 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.535 0.937 25834 5528 1 6 . 1 1 147 147 ARG CB C 147 27.393 27.393 27.989 -0.596 25834 5529 1 6 . 1 1 147 147 ARG H H 147 9.124 9.124 8.253 0.871 25834 5530 1 6 . 1 1 148 148 ARG N N 148 118.994 118.994 117.111 1.883 25834 5531 1 6 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.680 0.282 25834 5532 1 6 . 1 1 148 148 ARG C C 148 173.769 173.769 173.605 0.164 25834 5533 1 6 . 1 1 148 148 ARG CA C 148 52.486 52.486 51.949 0.537 25834 5534 1 6 . 1 1 148 148 ARG CB C 148 32.396 32.396 34.039 -1.643 25834 5535 1 6 . 1 1 148 148 ARG H H 148 8.133 8.133 7.756 0.377 25834 5536 1 6 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.501 0.137 25834 5537 1 6 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.346 -0.706 25834 5538 1 6 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.638 0.162 25834 5539 1 6 . 1 1 150 150 LEU N N 150 129.239 129.239 125.557 3.682 25834 5540 1 6 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.828 0.148 25834 5541 1 6 . 1 1 150 150 LEU C C 150 173.433 173.433 175.201 -1.768 25834 5542 1 6 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.589 -0.234 25834 5543 1 6 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.276 1.977 25834 5544 1 6 . 1 1 150 150 LEU H H 150 8.850 8.850 7.993 0.857 25834 5545 1 6 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.663 -0.332 25834 5546 1 6 . 1 1 151 151 PRO CA C 151 64.201 64.201 61.953 2.248 25834 5547 1 6 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.754 0.919 25834 5548 1 6 . 1 1 152 152 ALA N N 152 123.538 123.538 127.416 -3.878 25834 5549 1 6 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.817 0.066 25834 5550 1 6 . 1 1 152 152 ALA C C 152 172.551 172.551 175.493 -2.942 25834 5551 1 6 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.378 -1.261 25834 5552 1 6 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.364 -1.262 25834 5553 1 6 . 1 1 152 152 ALA H H 152 8.741 8.741 8.732 0.009 25834 5554 1 6 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.478 0.159 25834 5555 1 6 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.200 -0.119 25834 5556 1 6 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.817 0.513 25834 5557 1 6 . 1 1 154 154 VAL N N 154 121.024 121.024 116.422 4.602 25834 5558 1 6 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.501 -0.177 25834 5559 1 6 . 1 1 154 154 VAL C C 154 176.371 176.371 176.992 -0.621 25834 5560 1 6 . 1 1 154 154 VAL CA C 154 65.636 65.636 64.146 1.490 25834 5561 1 6 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.754 -0.241 25834 5562 1 6 . 1 1 154 154 VAL H H 154 8.653 8.653 8.324 0.329 25834 5563 1 6 . 1 1 155 155 GLY N N 155 116.464 116.464 112.697 3.767 25834 5564 1 6 . 1 1 155 155 GLY C C 155 174.707 174.707 174.087 0.620 25834 5565 1 6 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.138 -0.829 25834 5566 1 6 . 1 1 155 155 GLY H H 155 9.242 9.242 8.718 0.524 25834 5567 1 6 . 1 1 156 156 SER N N 156 117.176 117.176 114.810 2.366 25834 5568 1 6 . 1 1 156 156 SER HA H 156 4.684 4.684 4.599 0.085 25834 5569 1 6 . 1 1 156 156 SER C C 156 172.437 172.437 172.972 -0.535 25834 5570 1 6 . 1 1 156 156 SER CA C 156 60.271 60.271 56.439 3.832 25834 5571 1 6 . 1 1 156 156 SER CB C 156 64.119 64.119 65.823 -1.704 25834 5572 1 6 . 1 1 156 156 SER H H 156 8.166 8.166 7.774 0.392 25834 5573 1 6 . 1 1 157 157 SER N N 157 117.025 117.025 114.563 2.462 25834 5574 1 6 . 1 1 157 157 SER HA H 157 5.334 5.334 5.298 0.036 25834 5575 1 6 . 1 1 157 157 SER C C 157 173.729 173.729 172.891 0.838 25834 5576 1 6 . 1 1 157 157 SER CA C 157 56.737 56.737 57.240 -0.503 25834 5577 1 6 . 1 1 157 157 SER CB C 157 65.445 65.445 67.069 -1.624 25834 5578 1 6 . 1 1 157 157 SER H H 157 8.371 8.371 8.186 0.185 25834 5579 1 6 . 1 1 158 158 ILE N N 158 126.089 126.089 118.427 7.662 25834 5580 1 6 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.332 0.487 25834 5581 1 6 . 1 1 158 158 ILE C C 158 174.471 174.471 174.122 0.349 25834 5582 1 6 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.450 -0.401 25834 5583 1 6 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.689 0.745 25834 5584 1 6 . 1 1 158 158 ILE H H 158 9.601 9.601 8.376 1.225 25834 5585 1 6 . 1 1 159 159 GLN N N 159 123.323 123.323 120.560 2.763 25834 5586 1 6 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.925 -0.363 25834 5587 1 6 . 1 1 159 159 GLN C C 159 174.219 174.219 174.372 -0.153 25834 5588 1 6 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.515 0.589 25834 5589 1 6 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.213 0.414 25834 5590 1 6 . 1 1 159 159 GLN H H 159 8.290 8.290 8.127 0.163 25834 5591 1 6 . 1 1 160 160 PHE N N 160 124.084 124.084 116.847 7.237 25834 5592 1 6 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.754 -0.190 25834 5593 1 6 . 1 1 160 160 PHE C C 160 174.368 174.368 173.709 0.659 25834 5594 1 6 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.850 -0.435 25834 5595 1 6 . 1 1 160 160 PHE CB C 160 40.677 40.677 40.858 -0.181 25834 5596 1 6 . 1 1 160 160 PHE H H 160 9.622 9.622 8.775 0.847 25834 5597 1 6 . 1 1 161 161 GLY N N 161 108.516 108.516 112.615 -4.099 25834 5598 1 6 . 1 1 161 161 GLY C C 161 173.064 173.064 173.087 -0.023 25834 5599 1 6 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.465 0.707 25834 5600 1 6 . 1 1 161 161 GLY H H 161 8.409 8.409 7.965 0.444 25834 5601 1 6 . 1 1 162 162 PHE N N 162 123.240 123.240 121.583 1.657 25834 5602 1 6 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.656 0.285 25834 5603 1 6 . 1 1 162 162 PHE C C 162 175.982 175.982 175.489 0.493 25834 5604 1 6 . 1 1 162 162 PHE CA C 162 54.061 54.061 57.082 -3.021 25834 5605 1 6 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.733 -1.642 25834 5606 1 6 . 1 1 162 162 PHE H H 162 8.848 8.848 7.875 0.973 25834 5607 1 6 . 1 1 163 163 SER N N 163 113.673 113.673 115.256 -1.583 25834 5608 1 6 . 1 1 163 163 SER HA H 163 4.001 4.001 3.646 0.355 25834 5609 1 6 . 1 1 163 163 SER C C 163 176.303 176.303 174.806 1.497 25834 5610 1 6 . 1 1 163 163 SER CA C 163 58.004 58.004 58.253 -0.249 25834 5611 1 6 . 1 1 163 163 SER CB C 163 62.297 62.297 63.520 -1.223 25834 5612 1 6 . 1 1 163 163 SER H H 163 7.071 7.071 6.752 0.319 25834 5613 1 6 . 1 1 164 164 SER N N 164 126.213 126.213 116.693 9.520 25834 5614 1 6 . 1 1 164 164 SER HA H 164 4.188 4.188 4.326 -0.138 25834 5615 1 6 . 1 1 164 164 SER C C 164 174.499 174.499 174.728 -0.229 25834 5616 1 6 . 1 1 164 164 SER CA C 164 59.606 59.606 59.692 -0.086 25834 5617 1 6 . 1 1 164 164 SER CB C 164 63.841 63.841 63.731 0.110 25834 5618 1 6 . 1 1 164 164 SER H H 164 9.901 9.901 8.613 1.288 25834 5619 1 6 . 1 1 165 165 ARG N N 165 122.909 122.909 121.457 1.452 25834 5620 1 6 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.335 -0.115 25834 5621 1 6 . 1 1 165 165 ARG C C 165 175.560 175.560 175.026 0.534 25834 5622 1 6 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.892 0.557 25834 5623 1 6 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.718 0.273 25834 5624 1 6 . 1 1 165 165 ARG H H 165 8.096 8.096 7.775 0.321 25834 5625 1 6 . 1 1 166 166 VAL N N 166 123.934 123.934 119.162 4.772 25834 5626 1 6 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.350 -0.192 25834 5627 1 6 . 1 1 166 166 VAL C C 166 174.398 174.398 174.376 0.022 25834 5628 1 6 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.800 1.243 25834 5629 1 6 . 1 1 166 166 VAL CB C 166 33.399 33.399 35.403 -2.004 25834 5630 1 6 . 1 1 166 166 VAL H H 166 8.756 8.756 7.645 1.111 25834 5631 1 6 . 1 1 167 167 TYR N N 167 126.353 126.353 125.521 0.832 25834 5632 1 6 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.083 0.119 25834 5633 1 6 . 1 1 167 167 TYR C C 167 174.823 174.823 175.175 -0.352 25834 5634 1 6 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.349 -0.446 25834 5635 1 6 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.419 1.437 25834 5636 1 6 . 1 1 167 167 TYR H H 167 8.637 8.637 8.182 0.455 25834 5637 1 6 . 1 1 168 168 LYS N N 168 123.312 123.312 125.894 -2.582 25834 5638 1 6 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.813 0.673 25834 5639 1 6 . 1 1 168 168 LYS C C 168 176.634 176.634 175.321 1.313 25834 5640 1 6 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.308 -0.396 25834 5641 1 6 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.932 1.970 25834 5642 1 6 . 1 1 168 168 LYS H H 168 9.005 9.005 8.935 0.070 25834 5643 1 6 . 1 1 169 169 VAL N N 169 125.863 125.863 125.982 -0.119 25834 5644 1 6 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.450 -0.632 25834 5645 1 6 . 1 1 169 169 VAL C C 169 175.804 175.804 175.871 -0.067 25834 5646 1 6 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.064 1.791 25834 5647 1 6 . 1 1 169 169 VAL CB C 169 30.937 30.937 31.918 -0.981 25834 5648 1 6 . 1 1 169 169 VAL H H 169 8.305 8.305 8.121 0.184 25834 5649 1 6 . 1 1 170 170 GLN N N 170 129.871 129.871 122.877 6.994 25834 5650 1 6 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.526 0.341 25834 5651 1 6 . 1 1 170 170 GLN C C 170 174.293 174.293 172.909 1.384 25834 5652 1 6 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.361 -1.543 25834 5653 1 6 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.362 -0.682 25834 5654 1 6 . 1 1 170 170 GLN H H 170 9.124 9.124 8.418 0.706 25834 5655 1 6 . 1 1 171 171 LEU N N 171 122.168 122.168 124.369 -2.201 25834 5656 1 6 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.668 -0.176 25834 5657 1 6 . 1 1 171 171 LEU C C 171 177.672 177.672 176.640 1.032 25834 5658 1 6 . 1 1 171 171 LEU CA C 171 55.951 55.951 53.894 2.057 25834 5659 1 6 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.850 0.173 25834 5660 1 6 . 1 1 171 171 LEU H H 171 8.569 8.569 8.315 0.254 25834 5661 1 6 . 1 1 172 172 GLY N N 172 111.174 111.174 114.305 -3.131 25834 5662 1 6 . 1 1 172 172 GLY C C 172 171.895 171.895 173.478 -1.583 25834 5663 1 6 . 1 1 172 172 GLY CA C 172 44.179 44.179 44.405 -0.226 25834 5664 1 6 . 1 1 172 172 GLY H H 172 8.588 8.588 8.176 0.412 25834 5665 1 6 . 1 1 175 175 SER N N 175 115.756 115.756 115.087 0.669 25834 5666 1 6 . 1 1 175 175 SER HA H 175 4.274 4.274 4.719 -0.445 25834 5667 1 6 . 1 1 175 175 SER C C 175 174.314 174.314 174.520 -0.206 25834 5668 1 6 . 1 1 175 175 SER CA C 175 57.998 57.998 57.348 0.650 25834 5669 1 6 . 1 1 175 175 SER CB C 175 63.886 63.886 64.479 -0.593 25834 5670 1 6 . 1 1 175 175 SER H H 175 7.661 7.661 8.214 -0.553 25834 5671 1 6 . 1 1 176 176 SER N N 176 117.882 117.882 116.842 1.040 25834 5672 1 6 . 1 1 176 176 SER HA H 176 4.698 4.698 4.647 0.051 25834 5673 1 6 . 1 1 176 176 SER C C 176 173.521 173.521 174.490 -0.969 25834 5674 1 6 . 1 1 176 176 SER CA C 176 58.601 58.601 58.235 0.366 25834 5675 1 6 . 1 1 176 176 SER CB C 176 64.242 64.242 63.664 0.578 25834 5676 1 6 . 1 1 176 176 SER H H 176 8.265 8.265 8.678 -0.413 25834 5677 1 7 . 1 1 1 1 MET N N 1 121.215 121.215 122.974 -1.759 25834 5678 1 7 . 1 1 1 1 MET HA H 1 4.416 4.416 4.716 -0.300 25834 5679 1 7 . 1 1 1 1 MET C C 1 176.061 176.061 175.870 0.191 25834 5680 1 7 . 1 1 1 1 MET CA C 1 55.827 55.827 54.425 1.401 25834 5681 1 7 . 1 1 1 1 MET CB C 1 32.869 32.869 33.789 -0.920 25834 5682 1 7 . 1 1 1 1 MET H H 1 8.477 8.477 8.425 0.052 25834 5683 1 7 . 1 1 2 2 VAL N N 2 122.483 122.483 121.922 0.561 25834 5684 1 7 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.460 -0.293 25834 5685 1 7 . 1 1 2 2 VAL C C 2 176.225 176.225 175.914 0.311 25834 5686 1 7 . 1 1 2 2 VAL CA C 2 62.156 62.156 61.979 0.177 25834 5687 1 7 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.658 0.196 25834 5688 1 7 . 1 1 2 2 VAL H H 2 8.213 8.213 8.502 -0.289 25834 5689 1 7 . 1 1 3 3 THR N N 3 117.952 117.952 116.966 0.986 25834 5690 1 7 . 1 1 3 3 THR HA H 3 4.353 4.353 4.651 -0.298 25834 5691 1 7 . 1 1 3 3 THR C C 3 174.614 174.614 173.778 0.836 25834 5692 1 7 . 1 1 3 3 THR CA C 3 61.571 61.571 61.265 0.306 25834 5693 1 7 . 1 1 3 3 THR CB C 3 69.948 69.948 70.147 -0.199 25834 5694 1 7 . 1 1 3 3 THR H H 3 8.228 8.228 8.807 -0.579 25834 5695 1 7 . 1 1 4 4 SER N N 4 118.076 118.076 117.847 0.229 25834 5696 1 7 . 1 1 4 4 SER HA H 4 4.490 4.490 4.554 -0.064 25834 5697 1 7 . 1 1 4 4 SER C C 4 174.867 174.867 173.889 0.978 25834 5698 1 7 . 1 1 4 4 SER CA C 4 58.451 58.451 58.410 0.041 25834 5699 1 7 . 1 1 4 4 SER CB C 4 63.853 63.853 64.549 -0.696 25834 5700 1 7 . 1 1 4 4 SER H H 4 8.350 8.350 8.791 -0.441 25834 5701 1 7 . 1 1 5 5 THR N N 5 115.176 115.176 114.320 0.856 25834 5702 1 7 . 1 1 5 5 THR HA H 5 4.277 4.277 4.393 -0.116 25834 5703 1 7 . 1 1 5 5 THR C C 5 175.173 175.173 174.528 0.645 25834 5704 1 7 . 1 1 5 5 THR CA C 5 62.114 62.114 61.818 0.296 25834 5705 1 7 . 1 1 5 5 THR CB C 5 69.702 69.702 69.381 0.321 25834 5706 1 7 . 1 1 5 5 THR H H 5 8.125 8.125 8.188 -0.063 25834 5707 1 7 . 1 1 6 6 GLY N N 6 110.725 110.725 110.078 0.647 25834 5708 1 7 . 1 1 6 6 GLY C C 6 173.939 173.939 174.142 -0.203 25834 5709 1 7 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.133 0.120 25834 5710 1 7 . 1 1 6 6 GLY H H 6 8.289 8.289 7.862 0.427 25834 5711 1 7 . 1 1 7 7 LEU N N 7 121.627 121.627 118.165 3.462 25834 5712 1 7 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.331 -0.085 25834 5713 1 7 . 1 1 7 7 LEU C C 7 177.317 177.317 177.289 0.028 25834 5714 1 7 . 1 1 7 7 LEU CA C 7 55.509 55.509 54.974 0.535 25834 5715 1 7 . 1 1 7 7 LEU CB C 7 42.507 42.507 41.711 0.796 25834 5716 1 7 . 1 1 7 7 LEU H H 7 7.984 7.984 7.630 0.354 25834 5717 1 7 . 1 1 8 8 LEU N N 8 122.317 122.317 122.039 0.278 25834 5718 1 7 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.367 -0.063 25834 5719 1 7 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.979 0.310 25834 5720 1 7 . 1 1 8 8 LEU CB C 8 42.314 42.314 42.545 -0.231 25834 5721 1 7 . 1 1 8 8 LEU H H 8 8.163 8.163 7.924 0.239 25834 5722 1 7 . 1 1 9 9 SER N N 9 116.218 116.218 115.795 0.423 25834 5723 1 7 . 1 1 9 9 SER HA H 9 4.315 4.315 4.755 -0.440 25834 5724 1 7 . 1 1 9 9 SER CA C 9 58.253 58.253 57.753 0.500 25834 5725 1 7 . 1 1 9 9 SER CB C 9 63.786 63.786 64.622 -0.836 25834 5726 1 7 . 1 1 9 9 SER H H 9 8.088 8.088 8.205 -0.117 25834 5727 1 7 . 1 1 10 10 ARG N N 10 122.939 122.939 122.270 0.669 25834 5728 1 7 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.611 -0.306 25834 5729 1 7 . 1 1 10 10 ARG C C 10 177.734 177.734 174.856 2.878 25834 5730 1 7 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.834 0.455 25834 5731 1 7 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.827 -1.236 25834 5732 1 7 . 1 1 10 10 ARG H H 10 8.211 8.211 8.417 -0.206 25834 5733 1 7 . 1 1 11 11 VAL N N 11 120.980 120.980 120.421 0.559 25834 5734 1 7 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.413 -0.408 25834 5735 1 7 . 1 1 11 11 VAL C C 11 175.793 175.793 175.320 0.473 25834 5736 1 7 . 1 1 11 11 VAL CA C 11 62.353 62.353 62.015 0.338 25834 5737 1 7 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.755 -1.087 25834 5738 1 7 . 1 1 11 11 VAL H H 11 8.006 8.006 8.518 -0.512 25834 5739 1 7 . 1 1 12 12 ALA N N 12 127.736 127.736 127.771 -0.035 25834 5740 1 7 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.724 -0.492 25834 5741 1 7 . 1 1 12 12 ALA C C 12 177.174 177.174 175.644 1.530 25834 5742 1 7 . 1 1 12 12 ALA CA C 12 52.429 52.429 51.931 0.498 25834 5743 1 7 . 1 1 12 12 ALA CB C 12 19.227 19.227 20.193 -0.966 25834 5744 1 7 . 1 1 12 12 ALA H H 12 8.246 8.246 8.192 0.054 25834 5745 1 7 . 1 1 13 13 ALA N N 13 123.061 123.061 123.478 -0.417 25834 5746 1 7 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.773 -0.536 25834 5747 1 7 . 1 1 13 13 ALA C C 13 177.800 177.800 176.211 1.589 25834 5748 1 7 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.608 0.837 25834 5749 1 7 . 1 1 13 13 ALA CB C 13 19.115 19.115 20.323 -1.208 25834 5750 1 7 . 1 1 13 13 ALA H H 13 8.158 8.158 8.191 -0.033 25834 5751 1 7 . 1 1 14 14 VAL N N 14 119.391 119.391 122.064 -2.673 25834 5752 1 7 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.335 -0.335 25834 5753 1 7 . 1 1 14 14 VAL C C 14 176.284 176.284 175.072 1.212 25834 5754 1 7 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.260 0.077 25834 5755 1 7 . 1 1 14 14 VAL CB C 14 32.739 32.739 32.229 0.510 25834 5756 1 7 . 1 1 14 14 VAL H H 14 7.988 7.988 8.255 -0.267 25834 5757 1 7 . 1 1 15 15 GLU N N 15 124.744 124.744 126.582 -1.838 25834 5758 1 7 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.672 -0.472 25834 5759 1 7 . 1 1 15 15 GLU C C 15 176.542 176.542 175.023 1.519 25834 5760 1 7 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.764 0.777 25834 5761 1 7 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.935 -0.407 25834 5762 1 7 . 1 1 15 15 GLU H H 15 8.369 8.369 8.641 -0.272 25834 5763 1 7 . 1 1 16 16 LYS N N 16 122.786 122.786 121.238 1.548 25834 5764 1 7 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.702 -0.505 25834 5765 1 7 . 1 1 16 16 LYS C C 16 176.218 176.218 174.993 1.225 25834 5766 1 7 . 1 1 16 16 LYS CA C 16 56.253 56.253 56.079 0.174 25834 5767 1 7 . 1 1 16 16 LYS CB C 16 32.898 32.898 33.739 -0.841 25834 5768 1 7 . 1 1 16 16 LYS H H 16 8.264 8.264 8.434 -0.170 25834 5769 1 7 . 1 1 17 17 ALA N N 17 125.458 125.458 122.682 2.776 25834 5770 1 7 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.793 -0.609 25834 5771 1 7 . 1 1 17 17 ALA C C 17 177.579 177.579 175.756 1.823 25834 5772 1 7 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.565 0.951 25834 5773 1 7 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.620 -1.515 25834 5774 1 7 . 1 1 17 17 ALA H H 17 8.226 8.226 8.180 0.046 25834 5775 1 7 . 1 1 18 18 ALA N N 18 123.616 123.616 122.281 1.335 25834 5776 1 7 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.612 -0.388 25834 5777 1 7 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.802 0.718 25834 5778 1 7 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.405 -1.278 25834 5779 1 7 . 1 1 18 18 ALA H H 18 8.153 8.153 8.158 -0.005 25834 5780 1 7 . 1 1 19 19 GLU N N 19 120.282 120.282 121.594 -1.312 25834 5781 1 7 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.663 -0.464 25834 5782 1 7 . 1 1 19 19 GLU CA C 19 56.370 56.370 56.033 0.336 25834 5783 1 7 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.991 -0.354 25834 5784 1 7 . 1 1 19 19 GLU H H 19 8.209 8.209 8.438 -0.229 25834 5785 1 7 . 1 1 20 20 ILE N N 20 122.046 122.046 123.781 -1.735 25834 5786 1 7 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.356 -0.296 25834 5787 1 7 . 1 1 20 20 ILE C C 20 175.806 175.806 176.230 -0.424 25834 5788 1 7 . 1 1 20 20 ILE CA C 20 60.980 60.980 60.012 0.968 25834 5789 1 7 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.451 0.239 25834 5790 1 7 . 1 1 20 20 ILE H H 20 8.038 8.038 8.493 -0.455 25834 5791 1 7 . 1 1 21 21 ALA N N 21 128.175 128.175 129.282 -1.107 25834 5792 1 7 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.379 -0.194 25834 5793 1 7 . 1 1 21 21 ALA C C 21 175.942 175.942 177.346 -1.404 25834 5794 1 7 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.686 0.761 25834 5795 1 7 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.346 -0.049 25834 5796 1 7 . 1 1 21 21 ALA H H 21 8.224 8.224 8.156 0.068 25834 5797 1 7 . 1 1 22 22 LYS N N 22 120.107 120.107 120.438 -0.331 25834 5798 1 7 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.638 -0.411 25834 5799 1 7 . 1 1 22 22 LYS C C 22 174.303 174.303 174.746 -0.443 25834 5800 1 7 . 1 1 22 22 LYS CA C 22 53.397 53.397 54.476 -1.079 25834 5801 1 7 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.373 2.086 25834 5802 1 7 . 1 1 22 22 LYS H H 22 7.903 7.903 8.361 -0.458 25834 5803 1 7 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.494 -0.151 25834 5804 1 7 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.755 -0.062 25834 5805 1 7 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.621 -0.561 25834 5806 1 7 . 1 1 27 27 LYS N N 27 121.752 121.752 118.899 2.853 25834 5807 1 7 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.630 -0.416 25834 5808 1 7 . 1 1 27 27 LYS C C 27 176.450 176.450 176.421 0.029 25834 5809 1 7 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.273 0.936 25834 5810 1 7 . 1 1 27 27 LYS CB C 27 32.935 32.935 33.963 -1.028 25834 5811 1 7 . 1 1 27 27 LYS H H 27 8.253 8.253 8.274 -0.021 25834 5812 1 7 . 1 1 28 28 VAL N N 28 123.000 123.000 117.211 5.789 25834 5813 1 7 . 1 1 28 28 VAL HA H 28 4.004 4.004 3.936 0.068 25834 5814 1 7 . 1 1 28 28 VAL C C 28 175.672 175.672 176.078 -0.406 25834 5815 1 7 . 1 1 28 28 VAL CA C 28 62.268 62.268 61.868 0.400 25834 5816 1 7 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.402 0.480 25834 5817 1 7 . 1 1 28 28 VAL H H 28 8.128 8.128 8.189 -0.061 25834 5818 1 7 . 1 1 29 29 VAL N N 29 126.899 126.899 123.308 3.591 25834 5819 1 7 . 1 1 29 29 VAL HA H 29 3.871 3.871 3.899 -0.028 25834 5820 1 7 . 1 1 29 29 VAL C C 29 174.835 174.835 175.702 -0.867 25834 5821 1 7 . 1 1 29 29 VAL CA C 29 62.288 62.288 64.011 -1.723 25834 5822 1 7 . 1 1 29 29 VAL CB C 29 32.811 32.811 30.416 2.395 25834 5823 1 7 . 1 1 29 29 VAL H H 29 8.144 8.144 8.312 -0.168 25834 5824 1 7 . 1 1 30 30 GLU N N 30 125.745 125.745 128.436 -2.691 25834 5825 1 7 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.567 -0.380 25834 5826 1 7 . 1 1 30 30 GLU C C 30 177.203 177.203 174.763 2.440 25834 5827 1 7 . 1 1 30 30 GLU CA C 30 55.688 55.688 55.057 0.631 25834 5828 1 7 . 1 1 30 30 GLU CB C 30 30.501 30.501 32.141 -1.640 25834 5829 1 7 . 1 1 30 30 GLU H H 30 8.239 8.239 8.255 -0.016 25834 5830 1 7 . 1 1 31 31 LEU N N 31 125.229 125.229 119.310 5.919 25834 5831 1 7 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.934 -0.107 25834 5832 1 7 . 1 1 31 31 LEU C C 31 178.237 178.237 176.059 2.178 25834 5833 1 7 . 1 1 31 31 LEU CA C 31 54.633 54.633 54.604 0.029 25834 5834 1 7 . 1 1 31 31 LEU CB C 31 43.356 43.356 42.137 1.219 25834 5835 1 7 . 1 1 31 31 LEU H H 31 8.513 8.513 8.486 0.027 25834 5836 1 7 . 1 1 32 32 THR N N 32 113.162 113.162 117.128 -3.966 25834 5837 1 7 . 1 1 32 32 THR HA H 32 4.184 4.184 4.552 -0.368 25834 5838 1 7 . 1 1 32 32 THR C C 32 174.923 174.923 175.288 -0.365 25834 5839 1 7 . 1 1 32 32 THR CA C 32 61.002 61.002 60.157 0.845 25834 5840 1 7 . 1 1 32 32 THR CB C 32 70.848 70.848 70.532 0.316 25834 5841 1 7 . 1 1 32 32 THR H H 32 8.444 8.444 8.203 0.241 25834 5842 1 7 . 1 1 33 33 GLU N N 33 119.849 119.849 121.095 -1.246 25834 5843 1 7 . 1 1 33 33 GLU HA H 33 3.756 3.756 4.055 -0.299 25834 5844 1 7 . 1 1 33 33 GLU C C 33 178.906 178.906 178.334 0.572 25834 5845 1 7 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.581 0.274 25834 5846 1 7 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.207 -0.304 25834 5847 1 7 . 1 1 33 33 GLU H H 33 8.614 8.614 8.862 -0.248 25834 5848 1 7 . 1 1 34 34 ALA N N 34 118.382 118.382 120.257 -1.875 25834 5849 1 7 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.102 -0.132 25834 5850 1 7 . 1 1 34 34 ALA C C 34 180.554 180.554 178.336 2.218 25834 5851 1 7 . 1 1 34 34 ALA CA C 34 54.583 54.583 54.108 0.475 25834 5852 1 7 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.086 0.690 25834 5853 1 7 . 1 1 34 34 ALA H H 34 8.102 8.102 8.223 -0.121 25834 5854 1 7 . 1 1 35 35 ALA N N 35 121.658 121.658 119.510 2.148 25834 5855 1 7 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.210 -0.365 25834 5856 1 7 . 1 1 35 35 ALA C C 35 178.231 178.231 179.313 -1.082 25834 5857 1 7 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.726 -0.220 25834 5858 1 7 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.888 0.257 25834 5859 1 7 . 1 1 35 35 ALA H H 35 7.456 7.456 7.978 -0.522 25834 5860 1 7 . 1 1 36 36 LYS N N 36 114.479 114.479 118.436 -3.957 25834 5861 1 7 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.133 -0.277 25834 5862 1 7 . 1 1 36 36 LYS C C 36 176.884 176.884 177.468 -0.584 25834 5863 1 7 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.080 0.720 25834 5864 1 7 . 1 1 36 36 LYS CB C 36 32.820 32.820 31.598 1.222 25834 5865 1 7 . 1 1 36 36 LYS H H 36 7.897 7.897 7.657 0.240 25834 5866 1 7 . 1 1 37 37 GLN N N 37 114.203 114.203 117.864 -3.661 25834 5867 1 7 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.408 -0.208 25834 5868 1 7 . 1 1 37 37 GLN C C 37 176.478 176.478 175.220 1.258 25834 5869 1 7 . 1 1 37 37 GLN CA C 37 55.119 55.119 54.674 0.445 25834 5870 1 7 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.387 -0.004 25834 5871 1 7 . 1 1 37 37 GLN H H 37 6.970 6.970 7.736 -0.766 25834 5872 1 7 . 1 1 38 38 LEU N N 38 120.478 120.478 123.499 -3.021 25834 5873 1 7 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.146 -0.301 25834 5874 1 7 . 1 1 38 38 LEU C C 38 171.820 171.820 176.444 -4.624 25834 5875 1 7 . 1 1 38 38 LEU CA C 38 53.862 53.862 55.314 -1.452 25834 5876 1 7 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.199 -1.182 25834 5877 1 7 . 1 1 38 38 LEU H H 38 7.155 7.155 7.422 -0.267 25834 5878 1 7 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.380 -0.055 25834 5879 1 7 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.355 0.595 25834 5880 1 7 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.258 -0.176 25834 5881 1 7 . 1 1 40 40 GLN N N 40 125.695 125.695 117.224 8.471 25834 5882 1 7 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.190 -0.406 25834 5883 1 7 . 1 1 40 40 GLN C C 40 177.994 177.994 177.258 0.736 25834 5884 1 7 . 1 1 40 40 GLN CA C 40 59.489 59.489 55.449 4.040 25834 5885 1 7 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.376 -1.249 25834 5886 1 7 . 1 1 40 40 GLN H H 40 9.245 9.245 8.245 1.000 25834 5887 1 7 . 1 1 41 41 HIS N N 41 125.870 125.870 117.876 7.994 25834 5888 1 7 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.250 0.279 25834 5889 1 7 . 1 1 41 41 HIS CA C 41 58.408 58.408 58.977 -0.569 25834 5890 1 7 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.492 -0.103 25834 5891 1 7 . 1 1 41 41 HIS H H 41 11.289 11.289 8.518 2.771 25834 5892 1 7 . 1 1 42 42 ILE N N 42 119.609 119.609 116.525 3.084 25834 5893 1 7 . 1 1 42 42 ILE HA H 42 3.867 3.867 4.011 -0.144 25834 5894 1 7 . 1 1 42 42 ILE C C 42 178.715 178.715 177.581 1.134 25834 5895 1 7 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.081 -2.958 25834 5896 1 7 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.181 -1.633 25834 5897 1 7 . 1 1 42 42 ILE H H 42 6.700 6.700 7.047 -0.347 25834 5898 1 7 . 1 1 43 43 ILE N N 43 122.532 122.532 119.627 2.905 25834 5899 1 7 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.831 -0.332 25834 5900 1 7 . 1 1 43 43 ILE C C 43 178.325 178.325 177.446 0.879 25834 5901 1 7 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.022 2.515 25834 5902 1 7 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.529 0.709 25834 5903 1 7 . 1 1 43 43 ILE H H 43 7.673 7.673 7.481 0.192 25834 5904 1 7 . 1 1 44 44 GLY N N 44 101.559 101.559 107.453 -5.894 25834 5905 1 7 . 1 1 44 44 GLY C C 44 174.914 174.914 174.522 0.392 25834 5906 1 7 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.447 -0.084 25834 5907 1 7 . 1 1 44 44 GLY H H 44 7.938 7.938 8.219 -0.281 25834 5908 1 7 . 1 1 45 45 VAL N N 45 106.862 106.862 119.237 -12.375 25834 5909 1 7 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.367 0.391 25834 5910 1 7 . 1 1 45 45 VAL C C 45 175.397 175.397 175.551 -0.154 25834 5911 1 7 . 1 1 45 45 VAL CA C 45 60.531 60.531 61.499 -0.968 25834 5912 1 7 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.921 0.103 25834 5913 1 7 . 1 1 45 45 VAL H H 45 6.843 6.843 7.231 -0.388 25834 5914 1 7 . 1 1 46 46 THR N N 46 117.226 117.226 115.375 1.851 25834 5915 1 7 . 1 1 46 46 THR HA H 46 4.447 4.447 4.135 0.312 25834 5916 1 7 . 1 1 46 46 THR C C 46 172.087 172.087 174.465 -2.378 25834 5917 1 7 . 1 1 46 46 THR CA C 46 62.571 62.571 63.196 -0.625 25834 5918 1 7 . 1 1 46 46 THR CB C 46 68.863 68.863 69.159 -0.296 25834 5919 1 7 . 1 1 46 46 THR H H 46 7.093 7.093 7.402 -0.309 25834 5920 1 7 . 1 1 47 47 ASP N N 47 127.436 127.436 122.384 5.052 25834 5921 1 7 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.705 -0.088 25834 5922 1 7 . 1 1 47 47 ASP C C 47 174.684 174.684 176.742 -2.058 25834 5923 1 7 . 1 1 47 47 ASP CA C 47 52.604 52.604 53.425 -0.821 25834 5924 1 7 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.466 1.271 25834 5925 1 7 . 1 1 47 47 ASP H H 47 7.612 7.612 8.556 -0.944 25834 5926 1 7 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.371 -0.382 25834 5927 1 7 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.436 -0.408 25834 5928 1 7 . 1 1 48 48 PRO CB C 48 32.280 32.280 31.999 0.281 25834 5929 1 7 . 1 1 49 49 THR N N 49 114.121 114.121 113.232 0.889 25834 5930 1 7 . 1 1 49 49 THR HA H 49 4.189 4.189 4.302 -0.113 25834 5931 1 7 . 1 1 49 49 THR C C 49 177.000 177.000 176.338 0.662 25834 5932 1 7 . 1 1 49 49 THR CA C 49 66.844 66.844 64.780 2.064 25834 5933 1 7 . 1 1 49 49 THR CB C 49 67.824 67.824 68.559 -0.735 25834 5934 1 7 . 1 1 49 49 THR H H 49 7.942 7.942 8.365 -0.423 25834 5935 1 7 . 1 1 50 50 LYS N N 50 123.787 123.787 122.083 1.704 25834 5936 1 7 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.297 -0.380 25834 5937 1 7 . 1 1 50 50 LYS C C 50 177.547 177.547 178.462 -0.915 25834 5938 1 7 . 1 1 50 50 LYS CA C 50 58.732 58.732 59.040 -0.308 25834 5939 1 7 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.396 0.919 25834 5940 1 7 . 1 1 50 50 LYS H H 50 7.070 7.070 7.832 -0.762 25834 5941 1 7 . 1 1 51 51 LEU N N 51 115.307 115.307 116.344 -1.037 25834 5942 1 7 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.147 -0.342 25834 5943 1 7 . 1 1 51 51 LEU C C 51 178.314 178.314 177.815 0.499 25834 5944 1 7 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.859 0.135 25834 5945 1 7 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.783 -0.567 25834 5946 1 7 . 1 1 51 51 LEU H H 51 7.439 7.439 8.118 -0.679 25834 5947 1 7 . 1 1 52 52 ASN N N 52 115.979 115.979 117.165 -1.186 25834 5948 1 7 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.532 -0.260 25834 5949 1 7 . 1 1 52 52 ASN C C 52 178.387 178.387 176.996 1.391 25834 5950 1 7 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.471 -0.306 25834 5951 1 7 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.954 -1.063 25834 5952 1 7 . 1 1 52 52 ASN H H 52 8.533 8.533 7.702 0.831 25834 5953 1 7 . 1 1 53 53 ALA N N 53 119.261 119.261 121.564 -2.303 25834 5954 1 7 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.288 -0.058 25834 5955 1 7 . 1 1 53 53 ALA C C 53 179.957 179.957 179.132 0.825 25834 5956 1 7 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.447 -0.410 25834 5957 1 7 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.409 0.913 25834 5958 1 7 . 1 1 53 53 ALA H H 53 7.681 7.681 7.436 0.245 25834 5959 1 7 . 1 1 54 54 GLN N N 54 111.586 111.586 115.156 -3.570 25834 5960 1 7 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.403 0.003 25834 5961 1 7 . 1 1 54 54 GLN C C 54 178.500 178.500 177.038 1.462 25834 5962 1 7 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.219 0.574 25834 5963 1 7 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.544 -0.113 25834 5964 1 7 . 1 1 54 54 GLN H H 54 7.905 7.905 7.685 0.220 25834 5965 1 7 . 1 1 55 55 VAL N N 55 120.362 120.362 120.656 -0.294 25834 5966 1 7 . 1 1 55 55 VAL HA H 55 4.205 4.205 3.945 0.260 25834 5967 1 7 . 1 1 55 55 VAL C C 55 174.795 174.795 177.218 -2.423 25834 5968 1 7 . 1 1 55 55 VAL CA C 55 64.682 64.682 65.378 -0.696 25834 5969 1 7 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.588 -1.202 25834 5970 1 7 . 1 1 55 55 VAL H H 55 8.137 8.137 7.701 0.436 25834 5971 1 7 . 1 1 56 56 SER N N 56 114.478 114.478 113.816 0.662 25834 5972 1 7 . 1 1 56 56 SER HA H 56 3.882 3.882 4.116 -0.234 25834 5973 1 7 . 1 1 56 56 SER C C 56 174.256 174.256 175.945 -1.689 25834 5974 1 7 . 1 1 56 56 SER CA C 56 60.480 60.480 60.472 0.008 25834 5975 1 7 . 1 1 56 56 SER CB C 56 62.427 62.427 63.056 -0.630 25834 5976 1 7 . 1 1 56 56 SER H H 56 7.899 7.899 7.754 0.145 25834 5977 1 7 . 1 1 57 57 TYR N N 57 117.315 117.315 118.424 -1.109 25834 5978 1 7 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.618 -0.281 25834 5979 1 7 . 1 1 57 57 TYR C C 57 175.570 175.570 175.850 -0.280 25834 5980 1 7 . 1 1 57 57 TYR CA C 57 58.673 58.673 59.036 -0.363 25834 5981 1 7 . 1 1 57 57 TYR CB C 57 40.264 40.264 39.841 0.423 25834 5982 1 7 . 1 1 57 57 TYR H H 57 7.662 7.662 7.520 0.142 25834 5983 1 7 . 1 1 58 58 PHE N N 58 118.544 118.544 114.699 3.845 25834 5984 1 7 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.871 -0.465 25834 5985 1 7 . 1 1 58 58 PHE C C 58 171.715 171.715 173.123 -1.408 25834 5986 1 7 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.313 1.176 25834 5987 1 7 . 1 1 58 58 PHE CB C 58 41.401 41.401 40.760 0.641 25834 5988 1 7 . 1 1 58 58 PHE H H 58 7.727 7.727 8.297 -0.570 25834 5989 1 7 . 1 1 59 59 GLN N N 59 127.699 127.699 122.559 5.140 25834 5990 1 7 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.342 -0.625 25834 5991 1 7 . 1 1 59 59 GLN C C 59 172.421 172.421 175.542 -3.121 25834 5992 1 7 . 1 1 59 59 GLN CA C 59 54.212 54.212 53.895 0.317 25834 5993 1 7 . 1 1 59 59 GLN CB C 59 26.945 26.945 29.981 -3.036 25834 5994 1 7 . 1 1 59 59 GLN H H 59 7.909 7.909 8.611 -0.702 25834 5995 1 7 . 1 1 60 60 CYS N N 60 125.668 125.668 124.823 0.845 25834 5996 1 7 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.324 -1.046 25834 5997 1 7 . 1 1 60 60 CYS C C 60 171.317 171.317 174.041 -2.724 25834 5998 1 7 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.395 1.028 25834 5999 1 7 . 1 1 60 60 CYS CB C 60 26.588 26.588 27.652 -1.065 25834 6000 1 7 . 1 1 60 60 CYS H H 60 6.802 6.802 8.425 -1.623 25834 6001 1 7 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.228 -0.126 25834 6002 1 7 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.790 -0.320 25834 6003 1 7 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.895 -0.275 25834 6004 1 7 . 1 1 63 63 TRP N N 63 110.609 110.609 115.042 -4.433 25834 6005 1 7 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.580 -0.148 25834 6006 1 7 . 1 1 63 63 TRP C C 63 176.764 176.764 174.714 2.050 25834 6007 1 7 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.498 -1.489 25834 6008 1 7 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.238 0.119 25834 6009 1 7 . 1 1 63 63 TRP H H 63 6.172 6.172 7.366 -1.194 25834 6010 1 7 . 1 1 64 64 ALA N N 64 124.983 124.983 120.960 4.023 25834 6011 1 7 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.396 1.020 25834 6012 1 7 . 1 1 64 64 ALA C C 64 176.025 176.025 177.068 -1.043 25834 6013 1 7 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.623 0.014 25834 6014 1 7 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.288 2.067 25834 6015 1 7 . 1 1 64 64 ALA H H 64 7.038 7.038 6.505 0.533 25834 6016 1 7 . 1 1 65 65 ALA N N 65 120.111 120.111 122.690 -2.579 25834 6017 1 7 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.020 0.585 25834 6018 1 7 . 1 1 65 65 ALA C C 65 175.012 175.012 176.564 -1.552 25834 6019 1 7 . 1 1 65 65 ALA CA C 65 50.868 50.868 52.938 -2.070 25834 6020 1 7 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.700 6.022 25834 6021 1 7 . 1 1 65 65 ALA H H 65 8.344 8.344 8.324 0.020 25834 6022 1 7 . 1 1 66 66 LEU N N 66 118.667 118.667 118.057 0.610 25834 6023 1 7 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.545 -0.562 25834 6024 1 7 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.106 1.081 25834 6025 1 7 . 1 1 66 66 LEU CB C 66 42.535 42.535 43.324 -0.789 25834 6026 1 7 . 1 1 66 66 LEU H H 66 8.272 8.272 7.793 0.479 25834 6027 1 7 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.104 -0.953 25834 6028 1 7 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.468 0.652 25834 6029 1 7 . 1 1 67 67 PRO CB C 67 31.810 31.810 31.799 0.011 25834 6030 1 7 . 1 1 68 68 SER N N 68 118.916 118.916 115.975 2.941 25834 6031 1 7 . 1 1 68 68 SER HA H 68 4.197 4.197 4.539 -0.342 25834 6032 1 7 . 1 1 68 68 SER C C 68 173.454 173.454 172.969 0.485 25834 6033 1 7 . 1 1 68 68 SER CA C 68 57.667 57.667 58.636 -0.969 25834 6034 1 7 . 1 1 68 68 SER CB C 68 63.129 63.129 64.054 -0.925 25834 6035 1 7 . 1 1 68 68 SER H H 68 6.468 6.468 8.570 -2.102 25834 6036 1 7 . 1 1 69 69 VAL N N 69 119.159 119.159 121.700 -2.541 25834 6037 1 7 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.389 -0.183 25834 6038 1 7 . 1 1 69 69 VAL C C 69 174.162 174.162 174.191 -0.029 25834 6039 1 7 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.908 -0.372 25834 6040 1 7 . 1 1 69 69 VAL CB C 69 34.809 34.809 34.533 0.276 25834 6041 1 7 . 1 1 69 69 VAL H H 69 6.702 6.702 7.464 -0.762 25834 6042 1 7 . 1 1 70 70 ALA N N 70 128.571 128.571 128.933 -0.362 25834 6043 1 7 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.714 -0.490 25834 6044 1 7 . 1 1 70 70 ALA C C 70 176.888 176.888 176.651 0.237 25834 6045 1 7 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.648 1.242 25834 6046 1 7 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.769 -0.051 25834 6047 1 7 . 1 1 70 70 ALA H H 70 8.486 8.486 8.563 -0.077 25834 6048 1 7 . 1 1 71 71 CYS N N 71 120.365 120.365 121.846 -1.481 25834 6049 1 7 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.011 0.434 25834 6050 1 7 . 1 1 71 71 CYS C C 71 173.126 173.126 173.279 -0.153 25834 6051 1 7 . 1 1 71 71 CYS CA C 71 58.111 58.111 57.141 0.970 25834 6052 1 7 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.535 0.198 25834 6053 1 7 . 1 1 71 71 CYS H H 71 8.222 8.222 8.679 -0.457 25834 6054 1 7 . 1 1 72 72 HIS N N 72 114.002 114.002 115.203 -1.201 25834 6055 1 7 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.030 -0.177 25834 6056 1 7 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.650 0.284 25834 6057 1 7 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.232 -0.774 25834 6058 1 7 . 1 1 72 72 HIS H H 72 9.033 9.033 8.396 0.637 25834 6059 1 7 . 1 1 73 73 LEU N N 73 117.312 117.312 120.822 -3.510 25834 6060 1 7 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.598 0.425 25834 6061 1 7 . 1 1 73 73 LEU C C 73 176.776 176.776 175.005 1.771 25834 6062 1 7 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.251 -0.617 25834 6063 1 7 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.371 -3.009 25834 6064 1 7 . 1 1 73 73 LEU H H 73 9.300 9.300 8.185 1.115 25834 6065 1 7 . 1 1 74 74 GLN N N 74 125.734 125.734 124.753 0.981 25834 6066 1 7 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.659 -0.074 25834 6067 1 7 . 1 1 74 74 GLN C C 74 175.495 175.495 173.841 1.654 25834 6068 1 7 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.576 0.389 25834 6069 1 7 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.751 -1.234 25834 6070 1 7 . 1 1 74 74 GLN H H 74 9.117 9.117 8.417 0.700 25834 6071 1 7 . 1 1 75 75 CYS N N 75 129.141 129.141 126.081 3.060 25834 6072 1 7 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.476 -0.429 25834 6073 1 7 . 1 1 75 75 CYS C C 75 173.524 173.524 174.531 -1.007 25834 6074 1 7 . 1 1 75 75 CYS CA C 75 57.494 57.494 57.005 0.488 25834 6075 1 7 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.421 -2.128 25834 6076 1 7 . 1 1 75 75 CYS H H 75 9.362 9.362 8.948 0.414 25834 6077 1 7 . 1 1 76 76 THR N N 76 120.173 120.173 114.880 5.293 25834 6078 1 7 . 1 1 76 76 THR HA H 76 5.014 5.014 4.949 0.065 25834 6079 1 7 . 1 1 76 76 THR C C 76 172.958 172.958 173.523 -0.565 25834 6080 1 7 . 1 1 76 76 THR CA C 76 59.790 59.790 60.197 -0.407 25834 6081 1 7 . 1 1 76 76 THR CB C 76 72.870 72.870 70.743 2.127 25834 6082 1 7 . 1 1 76 76 THR H H 76 8.477 8.477 8.044 0.433 25834 6083 1 7 . 1 1 77 77 ARG N N 77 121.783 121.783 117.281 4.502 25834 6084 1 7 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.433 -0.021 25834 6085 1 7 . 1 1 77 77 ARG C C 77 175.808 175.808 174.766 1.042 25834 6086 1 7 . 1 1 77 77 ARG CA C 77 55.721 55.721 56.212 -0.491 25834 6087 1 7 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.130 1.034 25834 6088 1 7 . 1 1 77 77 ARG H H 77 8.769 8.769 7.936 0.833 25834 6089 1 7 . 1 1 78 78 ASP N N 78 130.879 130.879 125.439 5.440 25834 6090 1 7 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.304 -0.114 25834 6091 1 7 . 1 1 78 78 ASP C C 78 175.472 175.472 176.128 -0.656 25834 6092 1 7 . 1 1 78 78 ASP CA C 78 55.709 55.709 54.673 1.036 25834 6093 1 7 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.685 -0.024 25834 6094 1 7 . 1 1 78 78 ASP H H 78 9.499 9.499 8.982 0.517 25834 6095 1 7 . 1 1 79 79 GLY N N 79 102.423 102.423 103.653 -1.230 25834 6096 1 7 . 1 1 79 79 GLY C C 79 173.613 173.613 174.394 -0.781 25834 6097 1 7 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.161 -0.199 25834 6098 1 7 . 1 1 79 79 GLY H H 79 8.361 8.361 8.561 -0.200 25834 6099 1 7 . 1 1 80 80 LEU N N 80 123.754 123.754 121.726 2.028 25834 6100 1 7 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.678 0.309 25834 6101 1 7 . 1 1 80 80 LEU C C 80 174.659 174.659 174.913 -0.254 25834 6102 1 7 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.300 0.889 25834 6103 1 7 . 1 1 80 80 LEU CB C 80 42.053 42.053 42.997 -0.944 25834 6104 1 7 . 1 1 80 80 LEU H H 80 7.775 7.775 7.753 0.022 25834 6105 1 7 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.397 0.170 25834 6106 1 7 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.528 0.332 25834 6107 1 7 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.641 1.819 25834 6108 1 7 . 1 1 82 82 LEU N N 82 126.089 126.089 125.079 1.010 25834 6109 1 7 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.407 0.582 25834 6110 1 7 . 1 1 82 82 LEU C C 82 174.148 174.148 176.120 -1.972 25834 6111 1 7 . 1 1 82 82 LEU CA C 82 52.635 52.635 53.231 -0.596 25834 6112 1 7 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.638 1.363 25834 6113 1 7 . 1 1 82 82 LEU H H 82 8.131 8.131 7.695 0.436 25834 6114 1 7 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.435 -0.245 25834 6115 1 7 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.568 1.272 25834 6116 1 7 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.593 0.487 25834 6117 1 7 . 1 1 84 84 ALA N N 84 123.359 123.359 125.930 -2.571 25834 6118 1 7 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.523 -0.332 25834 6119 1 7 . 1 1 84 84 ALA C C 84 178.112 178.112 177.230 0.882 25834 6120 1 7 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.155 -0.401 25834 6121 1 7 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.089 1.053 25834 6122 1 7 . 1 1 84 84 ALA H H 84 8.063 8.063 8.255 -0.192 25834 6123 1 7 . 1 1 85 85 LEU N N 85 118.757 118.757 121.826 -3.069 25834 6124 1 7 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.516 0.117 25834 6125 1 7 . 1 1 85 85 LEU C C 85 177.225 177.225 176.474 0.751 25834 6126 1 7 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.290 -0.932 25834 6127 1 7 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.876 -3.707 25834 6128 1 7 . 1 1 85 85 LEU H H 85 8.393 8.393 8.273 0.120 25834 6129 1 7 . 1 1 86 86 GLY N N 86 112.143 112.143 109.910 2.233 25834 6130 1 7 . 1 1 86 86 GLY C C 86 173.704 173.704 174.947 -1.243 25834 6131 1 7 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.192 1.688 25834 6132 1 7 . 1 1 86 86 GLY H H 86 9.046 9.046 8.556 0.490 25834 6133 1 7 . 1 1 87 87 LEU N N 87 123.289 123.289 126.843 -3.554 25834 6134 1 7 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.207 0.324 25834 6135 1 7 . 1 1 87 87 LEU C C 87 177.568 177.568 177.115 0.453 25834 6136 1 7 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.673 -0.714 25834 6137 1 7 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.856 3.055 25834 6138 1 7 . 1 1 87 87 LEU H H 87 7.934 7.934 8.446 -0.512 25834 6139 1 7 . 1 1 88 88 HIS N N 88 116.221 116.221 117.432 -1.211 25834 6140 1 7 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.371 -0.500 25834 6141 1 7 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.781 2.787 25834 6142 1 7 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.152 1.624 25834 6143 1 7 . 1 1 88 88 HIS H H 88 9.253 9.253 8.105 1.148 25834 6144 1 7 . 1 1 89 89 ARG N N 89 118.280 118.280 119.569 -1.289 25834 6145 1 7 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.428 -0.388 25834 6146 1 7 . 1 1 89 89 ARG C C 89 175.205 175.205 175.896 -0.691 25834 6147 1 7 . 1 1 89 89 ARG CA C 89 57.531 57.531 58.203 -0.672 25834 6148 1 7 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.869 0.934 25834 6149 1 7 . 1 1 89 89 ARG H H 89 7.300 7.300 8.334 -1.034 25834 6150 1 7 . 1 1 90 90 PHE N N 90 113.880 113.880 115.427 -1.547 25834 6151 1 7 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.710 0.693 25834 6152 1 7 . 1 1 90 90 PHE C C 90 172.663 172.663 173.198 -0.535 25834 6153 1 7 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.711 -2.356 25834 6154 1 7 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.739 -0.629 25834 6155 1 7 . 1 1 90 90 PHE H H 90 7.252 7.252 7.656 -0.404 25834 6156 1 7 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.328 0.521 25834 6157 1 7 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.199 -0.859 25834 6158 1 7 . 1 1 91 91 PRO CB C 91 32.970 32.970 31.913 1.057 25834 6159 1 7 . 1 1 92 92 PHE N N 92 104.480 104.480 113.250 -8.770 25834 6160 1 7 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.489 0.484 25834 6161 1 7 . 1 1 92 92 PHE C C 92 172.347 172.347 173.700 -1.353 25834 6162 1 7 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.528 -0.168 25834 6163 1 7 . 1 1 92 92 PHE CB C 92 41.747 41.747 42.247 -0.500 25834 6164 1 7 . 1 1 92 92 PHE H H 92 6.117 6.117 6.782 -0.665 25834 6165 1 7 . 1 1 93 93 TYR N N 93 120.959 120.959 117.768 3.191 25834 6166 1 7 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.760 -0.391 25834 6167 1 7 . 1 1 93 93 TYR C C 93 173.417 173.417 173.744 -0.327 25834 6168 1 7 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.275 0.113 25834 6169 1 7 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.324 2.126 25834 6170 1 7 . 1 1 93 93 TYR H H 93 9.370 9.370 9.041 0.329 25834 6171 1 7 . 1 1 94 94 LEU N N 94 123.359 123.359 123.049 0.310 25834 6172 1 7 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.423 0.660 25834 6173 1 7 . 1 1 94 94 LEU C C 94 176.045 176.045 174.842 1.203 25834 6174 1 7 . 1 1 94 94 LEU CA C 94 54.107 54.107 54.079 0.028 25834 6175 1 7 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.450 0.723 25834 6176 1 7 . 1 1 94 94 LEU H H 94 10.272 10.272 8.990 1.282 25834 6177 1 7 . 1 1 95 95 PHE N N 95 119.493 119.493 121.422 -1.929 25834 6178 1 7 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.871 0.366 25834 6179 1 7 . 1 1 95 95 PHE C C 95 175.870 175.870 175.054 0.816 25834 6180 1 7 . 1 1 95 95 PHE CA C 95 55.769 55.769 55.855 -0.086 25834 6181 1 7 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.507 1.823 25834 6182 1 7 . 1 1 95 95 PHE H H 95 8.761 8.761 8.886 -0.125 25834 6183 1 7 . 1 1 96 96 GLY N N 96 109.374 109.374 111.085 -1.711 25834 6184 1 7 . 1 1 96 96 GLY C C 96 170.712 170.712 172.739 -2.027 25834 6185 1 7 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.108 0.278 25834 6186 1 7 . 1 1 96 96 GLY H H 96 7.966 7.966 8.397 -0.431 25834 6187 1 7 . 1 1 97 97 ARG N N 97 119.683 119.683 119.988 -0.305 25834 6188 1 7 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.761 -0.112 25834 6189 1 7 . 1 1 97 97 ARG C C 97 177.225 177.225 175.868 1.357 25834 6190 1 7 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.838 1.661 25834 6191 1 7 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.199 0.675 25834 6192 1 7 . 1 1 97 97 ARG H H 97 8.147 8.147 8.208 -0.061 25834 6193 1 7 . 1 1 98 98 SER N N 98 113.711 113.711 116.368 -2.657 25834 6194 1 7 . 1 1 98 98 SER HA H 98 4.337 4.337 4.543 -0.206 25834 6195 1 7 . 1 1 98 98 SER C C 98 176.172 176.172 175.636 0.536 25834 6196 1 7 . 1 1 98 98 SER CA C 98 57.909 57.909 58.316 -0.407 25834 6197 1 7 . 1 1 98 98 SER CB C 98 63.085 63.085 64.672 -1.587 25834 6198 1 7 . 1 1 98 98 SER H H 98 9.133 9.133 7.695 1.438 25834 6199 1 7 . 1 1 99 99 LYS N N 99 124.590 124.590 122.956 1.634 25834 6200 1 7 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.232 -0.288 25834 6201 1 7 . 1 1 99 99 LYS C C 99 176.548 176.548 177.145 -0.597 25834 6202 1 7 . 1 1 99 99 LYS CA C 99 58.193 58.193 58.168 0.025 25834 6203 1 7 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.836 -0.175 25834 6204 1 7 . 1 1 99 99 LYS H H 99 8.451 8.451 8.747 -0.296 25834 6205 1 7 . 1 1 100 100 VAL N N 100 114.126 114.126 113.620 0.506 25834 6206 1 7 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.062 -0.164 25834 6207 1 7 . 1 1 100 100 VAL C C 100 176.832 176.832 176.349 0.483 25834 6208 1 7 . 1 1 100 100 VAL CA C 100 62.964 62.964 61.763 1.201 25834 6209 1 7 . 1 1 100 100 VAL CB C 100 31.693 31.693 30.547 1.146 25834 6210 1 7 . 1 1 100 100 VAL H H 100 7.512 7.512 7.704 -0.192 25834 6211 1 7 . 1 1 101 101 CYS N N 101 119.359 119.359 119.083 0.276 25834 6212 1 7 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.240 -0.753 25834 6213 1 7 . 1 1 101 101 CYS C C 101 172.156 172.156 175.217 -3.061 25834 6214 1 7 . 1 1 101 101 CYS CA C 101 61.155 61.155 60.762 0.393 25834 6215 1 7 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.419 -2.571 25834 6216 1 7 . 1 1 101 101 CYS H H 101 7.641 7.641 7.434 0.207 25834 6217 1 7 . 1 1 102 102 ASP N N 102 118.734 118.734 120.699 -1.965 25834 6218 1 7 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.399 -0.470 25834 6219 1 7 . 1 1 102 102 ASP C C 102 175.410 175.410 175.671 -0.261 25834 6220 1 7 . 1 1 102 102 ASP CA C 102 57.029 57.029 56.539 0.490 25834 6221 1 7 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.026 1.902 25834 6222 1 7 . 1 1 102 102 ASP H H 102 7.367 7.367 8.394 -1.027 25834 6223 1 7 . 1 1 103 103 TYR N N 103 114.004 114.004 118.794 -4.790 25834 6224 1 7 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.727 0.505 25834 6225 1 7 . 1 1 103 103 TYR C C 103 172.997 172.997 173.794 -0.797 25834 6226 1 7 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.276 0.078 25834 6227 1 7 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.545 -2.265 25834 6228 1 7 . 1 1 103 103 TYR H H 103 7.111 7.111 7.617 -0.506 25834 6229 1 7 . 1 1 104 104 VAL N N 104 124.660 124.660 126.788 -2.128 25834 6230 1 7 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.937 -0.412 25834 6231 1 7 . 1 1 104 104 VAL C C 104 176.491 176.491 175.075 1.416 25834 6232 1 7 . 1 1 104 104 VAL CA C 104 61.221 61.221 61.143 0.078 25834 6233 1 7 . 1 1 104 104 VAL CB C 104 31.806 31.806 32.307 -0.501 25834 6234 1 7 . 1 1 104 104 VAL H H 104 8.210 8.210 8.505 -0.295 25834 6235 1 7 . 1 1 105 105 LEU N N 105 130.546 130.546 129.896 0.650 25834 6236 1 7 . 1 1 105 105 LEU HA H 105 4.567 4.567 5.006 -0.439 25834 6237 1 7 . 1 1 105 105 LEU C C 105 175.794 175.794 175.680 0.114 25834 6238 1 7 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.421 -0.563 25834 6239 1 7 . 1 1 105 105 LEU CB C 105 43.199 43.199 44.592 -1.393 25834 6240 1 7 . 1 1 105 105 LEU H H 105 8.217 8.217 8.319 -0.102 25834 6241 1 7 . 1 1 106 106 GLU N N 106 117.285 117.285 118.794 -1.509 25834 6242 1 7 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.673 -0.424 25834 6243 1 7 . 1 1 106 106 GLU C C 106 176.698 176.698 175.261 1.437 25834 6244 1 7 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.109 0.544 25834 6245 1 7 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.624 0.526 25834 6246 1 7 . 1 1 106 106 GLU H H 106 8.219 8.219 8.431 -0.212 25834 6247 1 7 . 1 1 107 107 HIS N N 107 123.685 123.685 123.586 0.099 25834 6248 1 7 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.889 -1.038 25834 6249 1 7 . 1 1 107 107 HIS CA C 107 58.239 58.239 54.529 3.710 25834 6250 1 7 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.005 -1.086 25834 6251 1 7 . 1 1 107 107 HIS H H 107 7.703 7.703 8.555 -0.852 25834 6252 1 7 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.539 -0.399 25834 6253 1 7 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.049 0.601 25834 6254 1 7 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.454 -0.434 25834 6255 1 7 . 1 1 109 109 SER N N 109 114.134 114.134 112.554 1.580 25834 6256 1 7 . 1 1 109 109 SER HA H 109 4.326 4.326 4.598 -0.272 25834 6257 1 7 . 1 1 109 109 SER C C 109 174.553 174.553 174.821 -0.268 25834 6258 1 7 . 1 1 109 109 SER CA C 109 59.214 59.214 58.874 0.340 25834 6259 1 7 . 1 1 109 109 SER CB C 109 64.953 64.953 64.342 0.611 25834 6260 1 7 . 1 1 109 109 SER H H 109 9.035 9.035 7.900 1.135 25834 6261 1 7 . 1 1 110 110 ILE N N 110 128.498 128.498 124.518 3.980 25834 6262 1 7 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.262 -0.043 25834 6263 1 7 . 1 1 110 110 ILE C C 110 175.968 175.968 175.630 0.338 25834 6264 1 7 . 1 1 110 110 ILE CA C 110 59.903 59.903 61.915 -2.012 25834 6265 1 7 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.465 -0.727 25834 6266 1 7 . 1 1 110 110 ILE H H 110 8.103 8.103 8.122 -0.019 25834 6267 1 7 . 1 1 111 111 SER N N 111 127.509 127.509 122.516 4.993 25834 6268 1 7 . 1 1 111 111 SER HA H 111 4.207 4.207 4.801 -0.594 25834 6269 1 7 . 1 1 111 111 SER C C 111 174.300 174.300 175.723 -1.423 25834 6270 1 7 . 1 1 111 111 SER CA C 111 60.844 60.844 57.355 3.489 25834 6271 1 7 . 1 1 111 111 SER CB C 111 64.891 64.891 64.619 0.272 25834 6272 1 7 . 1 1 111 111 SER H H 111 11.497 11.497 8.109 3.388 25834 6273 1 7 . 1 1 112 112 SER N N 112 120.261 120.261 117.757 2.504 25834 6274 1 7 . 1 1 112 112 SER HA H 112 4.208 4.208 4.363 -0.155 25834 6275 1 7 . 1 1 112 112 SER C C 112 174.250 174.250 173.285 0.965 25834 6276 1 7 . 1 1 112 112 SER CA C 112 63.258 63.258 61.233 2.025 25834 6277 1 7 . 1 1 112 112 SER CB C 112 62.194 62.194 63.056 -0.862 25834 6278 1 7 . 1 1 112 112 SER H H 112 9.135 9.135 9.098 0.037 25834 6279 1 7 . 1 1 113 113 VAL N N 113 118.006 118.006 112.959 5.047 25834 6280 1 7 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.518 -0.865 25834 6281 1 7 . 1 1 113 113 VAL C C 113 173.570 173.570 174.663 -1.093 25834 6282 1 7 . 1 1 113 113 VAL CA C 113 64.376 64.376 59.063 5.313 25834 6283 1 7 . 1 1 113 113 VAL CB C 113 32.216 32.216 31.225 0.991 25834 6284 1 7 . 1 1 113 113 VAL H H 113 7.781 7.781 7.516 0.265 25834 6285 1 7 . 1 1 114 114 HIS N N 114 128.080 128.080 126.163 1.917 25834 6286 1 7 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.331 -0.137 25834 6287 1 7 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.727 -1.305 25834 6288 1 7 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.198 4.857 25834 6289 1 7 . 1 1 114 114 HIS H H 114 8.875 8.875 8.572 0.303 25834 6290 1 7 . 1 1 115 115 ALA N N 115 114.264 114.264 115.231 -0.967 25834 6291 1 7 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.802 0.429 25834 6292 1 7 . 1 1 115 115 ALA C C 115 173.729 173.729 174.317 -0.588 25834 6293 1 7 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.579 -0.621 25834 6294 1 7 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.474 2.130 25834 6295 1 7 . 1 1 115 115 ALA H H 115 8.250 8.250 7.692 0.558 25834 6296 1 7 . 1 1 116 116 VAL N N 116 116.683 116.683 120.144 -3.461 25834 6297 1 7 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.882 0.976 25834 6298 1 7 . 1 1 116 116 VAL C C 116 173.135 173.135 173.672 -0.537 25834 6299 1 7 . 1 1 116 116 VAL CA C 116 57.808 57.808 60.074 -2.266 25834 6300 1 7 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.237 0.943 25834 6301 1 7 . 1 1 116 116 VAL H H 116 8.808 8.808 7.767 1.041 25834 6302 1 7 . 1 1 117 117 LEU N N 117 124.933 124.933 126.516 -1.583 25834 6303 1 7 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.436 0.318 25834 6304 1 7 . 1 1 117 117 LEU C C 117 174.233 174.233 175.542 -1.309 25834 6305 1 7 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.909 1.003 25834 6306 1 7 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.058 2.071 25834 6307 1 7 . 1 1 117 117 LEU H H 117 8.799 8.799 8.559 0.240 25834 6308 1 7 . 1 1 118 118 VAL N N 118 123.453 123.453 119.474 3.979 25834 6309 1 7 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.919 0.518 25834 6310 1 7 . 1 1 118 118 VAL C C 118 174.261 174.261 175.415 -1.154 25834 6311 1 7 . 1 1 118 118 VAL CA C 118 59.238 59.238 61.194 -1.956 25834 6312 1 7 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.531 -0.462 25834 6313 1 7 . 1 1 118 118 VAL H H 118 10.009 10.009 8.360 1.649 25834 6314 1 7 . 1 1 119 119 PHE N N 119 132.016 132.016 127.869 4.147 25834 6315 1 7 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.701 0.145 25834 6316 1 7 . 1 1 119 119 PHE C C 119 172.828 172.828 174.856 -2.028 25834 6317 1 7 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.872 3.417 25834 6318 1 7 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.965 -0.325 25834 6319 1 7 . 1 1 119 119 PHE H H 119 9.544 9.544 8.424 1.120 25834 6320 1 7 . 1 1 120 120 HIS N N 120 130.718 130.718 127.994 2.724 25834 6321 1 7 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.878 -1.034 25834 6322 1 7 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.743 -1.915 25834 6323 1 7 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.225 2.051 25834 6324 1 7 . 1 1 120 120 HIS H H 120 8.365 8.365 8.790 -0.425 25834 6325 1 7 . 1 1 121 121 GLY N N 121 111.906 111.906 115.457 -3.551 25834 6326 1 7 . 1 1 121 121 GLY C C 121 174.992 174.992 174.909 0.083 25834 6327 1 7 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.816 2.154 25834 6328 1 7 . 1 1 121 121 GLY H H 121 8.150 8.150 8.720 -0.570 25834 6329 1 7 . 1 1 122 122 GLY N N 122 111.156 111.156 109.907 1.249 25834 6330 1 7 . 1 1 122 122 GLY C C 122 175.834 175.834 175.206 0.628 25834 6331 1 7 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.610 0.786 25834 6332 1 7 . 1 1 122 122 GLY H H 122 9.055 9.055 7.912 1.143 25834 6333 1 7 . 1 1 123 123 GLN N N 123 121.769 121.769 117.797 3.972 25834 6334 1 7 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.361 -0.427 25834 6335 1 7 . 1 1 123 123 GLN C C 123 175.649 175.649 176.440 -0.791 25834 6336 1 7 . 1 1 123 123 GLN CA C 123 56.432 56.432 55.245 1.187 25834 6337 1 7 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.131 0.294 25834 6338 1 7 . 1 1 123 123 GLN H H 123 9.270 9.270 7.706 1.564 25834 6339 1 7 . 1 1 124 124 ARG N N 124 115.831 115.831 114.999 0.832 25834 6340 1 7 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.214 -0.748 25834 6341 1 7 . 1 1 124 124 ARG C C 124 173.830 173.830 175.074 -1.244 25834 6342 1 7 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.360 -0.169 25834 6343 1 7 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.662 -1.035 25834 6344 1 7 . 1 1 124 124 ARG H H 124 8.141 8.141 8.044 0.097 25834 6345 1 7 . 1 1 125 125 CYS N N 125 111.895 111.895 115.602 -3.707 25834 6346 1 7 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.751 -0.261 25834 6347 1 7 . 1 1 125 125 CYS C C 125 172.037 172.037 173.693 -1.656 25834 6348 1 7 . 1 1 125 125 CYS CA C 125 55.647 55.647 56.720 -1.073 25834 6349 1 7 . 1 1 125 125 CYS CB C 125 30.488 30.488 31.223 -0.735 25834 6350 1 7 . 1 1 125 125 CYS H H 125 6.808 6.808 7.669 -0.861 25834 6351 1 7 . 1 1 126 126 PHE N N 126 119.776 119.776 121.398 -1.622 25834 6352 1 7 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.886 -0.081 25834 6353 1 7 . 1 1 126 126 PHE C C 126 175.431 175.431 175.591 -0.160 25834 6354 1 7 . 1 1 126 126 PHE CA C 126 60.725 60.725 58.650 2.075 25834 6355 1 7 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.688 0.824 25834 6356 1 7 . 1 1 126 126 PHE H H 126 9.599 9.599 9.169 0.430 25834 6357 1 7 . 1 1 127 127 VAL N N 127 119.700 119.700 124.456 -4.756 25834 6358 1 7 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.513 0.112 25834 6359 1 7 . 1 1 127 127 VAL C C 127 173.499 173.499 174.974 -1.475 25834 6360 1 7 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.708 -1.207 25834 6361 1 7 . 1 1 127 127 VAL CB C 127 34.354 34.354 32.261 2.093 25834 6362 1 7 . 1 1 127 127 VAL H H 127 9.594 9.594 8.911 0.683 25834 6363 1 7 . 1 1 128 128 LEU N N 128 129.107 129.107 130.669 -1.562 25834 6364 1 7 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.091 0.326 25834 6365 1 7 . 1 1 128 128 LEU C C 128 175.310 175.310 175.588 -0.278 25834 6366 1 7 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.330 -0.340 25834 6367 1 7 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.398 2.136 25834 6368 1 7 . 1 1 128 128 LEU H H 128 9.545 9.545 8.274 1.271 25834 6369 1 7 . 1 1 129 129 MET N N 129 119.581 119.581 126.420 -6.839 25834 6370 1 7 . 1 1 129 129 MET HA H 129 4.792 4.792 5.103 -0.311 25834 6371 1 7 . 1 1 129 129 MET C C 129 174.562 174.562 175.044 -0.482 25834 6372 1 7 . 1 1 129 129 MET CA C 129 54.980 54.980 54.417 0.562 25834 6373 1 7 . 1 1 129 129 MET CB C 129 38.129 38.129 35.523 2.606 25834 6374 1 7 . 1 1 129 129 MET H H 129 8.724 8.724 8.245 0.479 25834 6375 1 7 . 1 1 130 130 ASP N N 130 124.566 124.566 124.742 -0.176 25834 6376 1 7 . 1 1 130 130 ASP HA H 130 4.672 4.672 4.959 -0.287 25834 6377 1 7 . 1 1 130 130 ASP C C 130 178.291 178.291 176.839 1.452 25834 6378 1 7 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.891 -0.125 25834 6379 1 7 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.468 0.595 25834 6380 1 7 . 1 1 130 130 ASP H H 130 9.500 9.500 8.983 0.517 25834 6381 1 7 . 1 1 131 131 LEU N N 131 129.917 129.917 123.242 6.675 25834 6382 1 7 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.443 -0.016 25834 6383 1 7 . 1 1 131 131 LEU C C 131 176.172 176.172 177.529 -1.357 25834 6384 1 7 . 1 1 131 131 LEU CA C 131 54.227 54.227 53.673 0.554 25834 6385 1 7 . 1 1 131 131 LEU CB C 131 39.713 39.713 40.441 -0.728 25834 6386 1 7 . 1 1 131 131 LEU H H 131 8.182 8.182 8.014 0.168 25834 6387 1 7 . 1 1 132 132 GLY N N 132 107.323 107.323 108.029 -0.706 25834 6388 1 7 . 1 1 132 132 GLY C C 132 174.507 174.507 174.221 0.286 25834 6389 1 7 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.937 1.334 25834 6390 1 7 . 1 1 132 132 GLY H H 132 8.233 8.233 8.040 0.193 25834 6391 1 7 . 1 1 133 133 SER N N 133 119.398 119.398 114.676 4.722 25834 6392 1 7 . 1 1 133 133 SER HA H 133 4.091 4.091 3.910 0.181 25834 6393 1 7 . 1 1 133 133 SER C C 133 175.194 175.194 175.650 -0.456 25834 6394 1 7 . 1 1 133 133 SER CA C 133 59.003 59.003 58.611 0.391 25834 6395 1 7 . 1 1 133 133 SER CB C 133 62.766 62.766 62.939 -0.173 25834 6396 1 7 . 1 1 133 133 SER H H 133 9.111 9.111 7.914 1.197 25834 6397 1 7 . 1 1 134 134 THR N N 134 117.002 117.002 119.929 -2.927 25834 6398 1 7 . 1 1 134 134 THR HA H 134 3.917 3.917 4.181 -0.264 25834 6399 1 7 . 1 1 134 134 THR C C 134 176.542 176.542 175.311 1.231 25834 6400 1 7 . 1 1 134 134 THR CA C 134 66.444 66.444 64.961 1.483 25834 6401 1 7 . 1 1 134 134 THR CB C 134 68.876 68.876 69.055 -0.179 25834 6402 1 7 . 1 1 134 134 THR H H 134 7.136 7.136 8.223 -1.087 25834 6403 1 7 . 1 1 135 135 ASN N N 135 114.018 114.018 117.911 -3.893 25834 6404 1 7 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.805 0.089 25834 6405 1 7 . 1 1 135 135 ASN C C 135 175.875 175.875 174.573 1.302 25834 6406 1 7 . 1 1 135 135 ASN CA C 135 53.679 53.679 53.690 -0.011 25834 6407 1 7 . 1 1 135 135 ASN CB C 135 39.207 39.207 40.390 -1.183 25834 6408 1 7 . 1 1 135 135 ASN H H 135 9.243 9.243 8.406 0.837 25834 6409 1 7 . 1 1 136 136 GLY N N 136 106.575 106.575 108.018 -1.443 25834 6410 1 7 . 1 1 136 136 GLY C C 136 174.404 174.404 172.902 1.502 25834 6411 1 7 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.584 1.429 25834 6412 1 7 . 1 1 136 136 GLY H H 136 7.533 7.533 8.045 -0.512 25834 6413 1 7 . 1 1 137 137 VAL N N 137 123.037 123.037 122.983 0.054 25834 6414 1 7 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.269 0.285 25834 6415 1 7 . 1 1 137 137 VAL C C 137 173.367 173.367 175.298 -1.931 25834 6416 1 7 . 1 1 137 137 VAL CA C 137 61.221 61.221 61.551 -0.330 25834 6417 1 7 . 1 1 137 137 VAL CB C 137 36.191 36.191 32.715 3.476 25834 6418 1 7 . 1 1 137 137 VAL H H 137 9.270 9.270 7.939 1.331 25834 6419 1 7 . 1 1 138 138 LYS N N 138 123.932 123.932 125.128 -1.196 25834 6420 1 7 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.829 0.079 25834 6421 1 7 . 1 1 138 138 LYS C C 138 174.454 174.454 174.631 -0.177 25834 6422 1 7 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.145 -0.625 25834 6423 1 7 . 1 1 138 138 LYS CB C 138 35.859 35.859 34.617 1.242 25834 6424 1 7 . 1 1 138 138 LYS H H 138 8.779 8.779 8.243 0.536 25834 6425 1 7 . 1 1 139 139 LEU N N 139 124.937 124.937 124.918 0.019 25834 6426 1 7 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.679 0.356 25834 6427 1 7 . 1 1 139 139 LEU C C 139 176.335 176.335 176.329 0.006 25834 6428 1 7 . 1 1 139 139 LEU CA C 139 52.721 52.721 53.758 -1.038 25834 6429 1 7 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.265 0.862 25834 6430 1 7 . 1 1 139 139 LEU H H 139 8.528 8.528 8.727 -0.199 25834 6431 1 7 . 1 1 140 140 ASN N N 140 128.375 128.375 124.942 3.433 25834 6432 1 7 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.625 -0.229 25834 6433 1 7 . 1 1 140 140 ASN C C 140 175.256 175.256 174.922 0.334 25834 6434 1 7 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.531 -0.119 25834 6435 1 7 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.845 -0.966 25834 6436 1 7 . 1 1 140 140 ASN H H 140 10.056 10.056 9.149 0.907 25834 6437 1 7 . 1 1 141 141 GLY N N 141 101.602 101.602 103.910 -2.308 25834 6438 1 7 . 1 1 141 141 GLY C C 141 173.265 173.265 173.461 -0.196 25834 6439 1 7 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.029 -0.057 25834 6440 1 7 . 1 1 141 141 GLY H H 141 8.811 8.811 8.587 0.224 25834 6441 1 7 . 1 1 142 142 ASN N N 142 118.060 118.060 118.619 -0.559 25834 6442 1 7 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.965 0.043 25834 6443 1 7 . 1 1 142 142 ASN C C 142 174.106 174.106 174.020 0.086 25834 6444 1 7 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.474 -0.878 25834 6445 1 7 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.614 -0.576 25834 6446 1 7 . 1 1 142 142 ASN H H 142 7.512 7.512 8.215 -0.703 25834 6447 1 7 . 1 1 143 143 ARG N N 143 125.882 125.882 123.663 2.219 25834 6448 1 7 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.570 0.051 25834 6449 1 7 . 1 1 143 143 ARG C C 143 177.077 177.077 175.441 1.636 25834 6450 1 7 . 1 1 143 143 ARG CA C 143 56.940 56.940 56.806 0.134 25834 6451 1 7 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.695 -0.908 25834 6452 1 7 . 1 1 143 143 ARG H H 143 8.975 8.975 8.518 0.457 25834 6453 1 7 . 1 1 144 144 ILE N N 144 124.442 124.442 117.830 6.612 25834 6454 1 7 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.547 0.024 25834 6455 1 7 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.729 2.066 25834 6456 1 7 . 1 1 144 144 ILE CB C 144 39.273 39.273 40.318 -1.045 25834 6457 1 7 . 1 1 144 144 ILE H H 144 6.907 6.907 8.058 -1.151 25834 6458 1 7 . 1 1 145 145 GLU N N 145 122.815 122.815 120.828 1.987 25834 6459 1 7 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.211 -0.007 25834 6460 1 7 . 1 1 145 145 GLU C C 145 176.123 176.123 175.763 0.360 25834 6461 1 7 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.561 -1.226 25834 6462 1 7 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.217 0.375 25834 6463 1 7 . 1 1 145 145 GLU H H 145 8.628 8.628 8.453 0.175 25834 6464 1 7 . 1 1 146 146 LYS N N 146 122.367 122.367 119.187 3.180 25834 6465 1 7 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.402 -0.286 25834 6466 1 7 . 1 1 146 146 LYS C C 146 175.811 175.811 176.818 -1.007 25834 6467 1 7 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.283 3.672 25834 6468 1 7 . 1 1 146 146 LYS CB C 146 33.562 33.562 33.465 0.097 25834 6469 1 7 . 1 1 146 146 LYS H H 146 8.755 8.755 8.110 0.645 25834 6470 1 7 . 1 1 147 147 ARG N N 147 115.303 115.303 116.479 -1.176 25834 6471 1 7 . 1 1 147 147 ARG HA H 147 3.657 3.657 3.916 -0.259 25834 6472 1 7 . 1 1 147 147 ARG C C 147 174.121 174.121 174.422 -0.301 25834 6473 1 7 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.268 1.204 25834 6474 1 7 . 1 1 147 147 ARG CB C 147 27.393 27.393 27.681 -0.288 25834 6475 1 7 . 1 1 147 147 ARG H H 147 9.124 9.124 8.577 0.547 25834 6476 1 7 . 1 1 148 148 ARG N N 148 118.994 118.994 115.194 3.800 25834 6477 1 7 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.814 0.148 25834 6478 1 7 . 1 1 148 148 ARG C C 148 173.769 173.769 173.500 0.269 25834 6479 1 7 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.195 0.291 25834 6480 1 7 . 1 1 148 148 ARG CB C 148 32.396 32.396 31.750 0.646 25834 6481 1 7 . 1 1 148 148 ARG H H 148 8.133 8.133 7.924 0.209 25834 6482 1 7 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.560 0.078 25834 6483 1 7 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.139 -0.499 25834 6484 1 7 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.678 0.122 25834 6485 1 7 . 1 1 150 150 LEU N N 150 129.239 129.239 126.005 3.234 25834 6486 1 7 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.804 0.172 25834 6487 1 7 . 1 1 150 150 LEU C C 150 173.433 173.433 175.437 -2.004 25834 6488 1 7 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.633 -0.278 25834 6489 1 7 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.055 2.198 25834 6490 1 7 . 1 1 150 150 LEU H H 150 8.850 8.850 7.979 0.871 25834 6491 1 7 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.719 -0.388 25834 6492 1 7 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.748 1.452 25834 6493 1 7 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.777 0.896 25834 6494 1 7 . 1 1 152 152 ALA N N 152 123.538 123.538 128.428 -4.890 25834 6495 1 7 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.741 0.142 25834 6496 1 7 . 1 1 152 152 ALA C C 152 172.551 172.551 175.525 -2.974 25834 6497 1 7 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.088 -0.971 25834 6498 1 7 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.119 -1.017 25834 6499 1 7 . 1 1 152 152 ALA H H 152 8.741 8.741 8.475 0.266 25834 6500 1 7 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.481 0.156 25834 6501 1 7 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.127 -0.047 25834 6502 1 7 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.776 0.554 25834 6503 1 7 . 1 1 154 154 VAL N N 154 121.024 121.024 115.838 5.186 25834 6504 1 7 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.470 -0.146 25834 6505 1 7 . 1 1 154 154 VAL C C 154 176.371 176.371 176.644 -0.273 25834 6506 1 7 . 1 1 154 154 VAL CA C 154 65.636 65.636 63.911 1.725 25834 6507 1 7 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.076 0.437 25834 6508 1 7 . 1 1 154 154 VAL H H 154 8.653 8.653 8.423 0.230 25834 6509 1 7 . 1 1 155 155 GLY N N 155 116.464 116.464 114.671 1.793 25834 6510 1 7 . 1 1 155 155 GLY C C 155 174.707 174.707 173.946 0.761 25834 6511 1 7 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.079 -0.770 25834 6512 1 7 . 1 1 155 155 GLY H H 155 9.242 9.242 8.887 0.355 25834 6513 1 7 . 1 1 156 156 SER N N 156 117.176 117.176 116.051 1.125 25834 6514 1 7 . 1 1 156 156 SER HA H 156 4.684 4.684 4.599 0.085 25834 6515 1 7 . 1 1 156 156 SER C C 156 172.437 172.437 173.042 -0.605 25834 6516 1 7 . 1 1 156 156 SER CA C 156 60.271 60.271 57.802 2.469 25834 6517 1 7 . 1 1 156 156 SER CB C 156 64.119 64.119 65.538 -1.419 25834 6518 1 7 . 1 1 156 156 SER H H 156 8.166 8.166 7.970 0.196 25834 6519 1 7 . 1 1 157 157 SER N N 157 117.025 117.025 114.048 2.977 25834 6520 1 7 . 1 1 157 157 SER HA H 157 5.334 5.334 5.283 0.051 25834 6521 1 7 . 1 1 157 157 SER C C 157 173.729 173.729 173.030 0.699 25834 6522 1 7 . 1 1 157 157 SER CA C 157 56.737 56.737 57.450 -0.714 25834 6523 1 7 . 1 1 157 157 SER CB C 157 65.445 65.445 66.508 -1.063 25834 6524 1 7 . 1 1 157 157 SER H H 157 8.371 8.371 8.392 -0.021 25834 6525 1 7 . 1 1 158 158 ILE N N 158 126.089 126.089 118.934 7.155 25834 6526 1 7 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.496 0.323 25834 6527 1 7 . 1 1 158 158 ILE C C 158 174.471 174.471 174.108 0.363 25834 6528 1 7 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.390 -0.341 25834 6529 1 7 . 1 1 158 158 ILE CB C 158 42.434 42.434 42.090 0.344 25834 6530 1 7 . 1 1 158 158 ILE H H 158 9.601 9.601 8.384 1.217 25834 6531 1 7 . 1 1 159 159 GLN N N 159 123.323 123.323 121.980 1.343 25834 6532 1 7 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.951 -0.389 25834 6533 1 7 . 1 1 159 159 GLN C C 159 174.219 174.219 174.193 0.026 25834 6534 1 7 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.516 0.589 25834 6535 1 7 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.143 0.484 25834 6536 1 7 . 1 1 159 159 GLN H H 159 8.290 8.290 8.447 -0.157 25834 6537 1 7 . 1 1 160 160 PHE N N 160 124.084 124.084 119.560 4.524 25834 6538 1 7 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.849 -0.285 25834 6539 1 7 . 1 1 160 160 PHE C C 160 174.368 174.368 174.117 0.251 25834 6540 1 7 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.523 -0.108 25834 6541 1 7 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.391 -0.714 25834 6542 1 7 . 1 1 160 160 PHE H H 160 9.622 9.622 8.410 1.212 25834 6543 1 7 . 1 1 161 161 GLY N N 161 108.516 108.516 112.623 -4.107 25834 6544 1 7 . 1 1 161 161 GLY C C 161 173.064 173.064 173.215 -0.151 25834 6545 1 7 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.575 0.597 25834 6546 1 7 . 1 1 161 161 GLY H H 161 8.409 8.409 7.780 0.629 25834 6547 1 7 . 1 1 162 162 PHE N N 162 123.240 123.240 121.187 2.053 25834 6548 1 7 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.717 0.224 25834 6549 1 7 . 1 1 162 162 PHE C C 162 175.982 175.982 175.469 0.513 25834 6550 1 7 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.668 -2.607 25834 6551 1 7 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.686 -1.595 25834 6552 1 7 . 1 1 162 162 PHE H H 162 8.848 8.848 7.755 1.093 25834 6553 1 7 . 1 1 163 163 SER N N 163 113.673 113.673 115.518 -1.845 25834 6554 1 7 . 1 1 163 163 SER HA H 163 4.001 4.001 3.757 0.244 25834 6555 1 7 . 1 1 163 163 SER C C 163 176.303 176.303 175.160 1.143 25834 6556 1 7 . 1 1 163 163 SER CA C 163 58.004 58.004 58.214 -0.210 25834 6557 1 7 . 1 1 163 163 SER CB C 163 62.297 62.297 63.497 -1.200 25834 6558 1 7 . 1 1 163 163 SER H H 163 7.071 7.071 6.819 0.252 25834 6559 1 7 . 1 1 164 164 SER N N 164 126.213 126.213 116.159 10.054 25834 6560 1 7 . 1 1 164 164 SER HA H 164 4.188 4.188 4.439 -0.251 25834 6561 1 7 . 1 1 164 164 SER C C 164 174.499 174.499 173.852 0.647 25834 6562 1 7 . 1 1 164 164 SER CA C 164 59.606 59.606 59.293 0.313 25834 6563 1 7 . 1 1 164 164 SER CB C 164 63.841 63.841 63.486 0.355 25834 6564 1 7 . 1 1 164 164 SER H H 164 9.901 9.901 8.618 1.283 25834 6565 1 7 . 1 1 165 165 ARG N N 165 122.909 122.909 119.399 3.510 25834 6566 1 7 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.796 -0.576 25834 6567 1 7 . 1 1 165 165 ARG C C 165 175.560 175.560 174.152 1.408 25834 6568 1 7 . 1 1 165 165 ARG CA C 165 57.449 57.449 54.399 3.050 25834 6569 1 7 . 1 1 165 165 ARG CB C 165 30.991 30.991 31.794 -0.803 25834 6570 1 7 . 1 1 165 165 ARG H H 165 8.096 8.096 7.311 0.785 25834 6571 1 7 . 1 1 166 166 VAL N N 166 123.934 123.934 120.939 2.995 25834 6572 1 7 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.379 -0.221 25834 6573 1 7 . 1 1 166 166 VAL C C 166 174.398 174.398 174.593 -0.195 25834 6574 1 7 . 1 1 166 166 VAL CA C 166 62.043 62.043 59.737 2.305 25834 6575 1 7 . 1 1 166 166 VAL CB C 166 33.399 33.399 34.997 -1.598 25834 6576 1 7 . 1 1 166 166 VAL H H 166 8.756 8.756 7.954 0.802 25834 6577 1 7 . 1 1 167 167 TYR N N 167 126.353 126.353 125.105 1.248 25834 6578 1 7 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.081 0.121 25834 6579 1 7 . 1 1 167 167 TYR C C 167 174.823 174.823 175.338 -0.515 25834 6580 1 7 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.473 -0.570 25834 6581 1 7 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.186 1.670 25834 6582 1 7 . 1 1 167 167 TYR H H 167 8.637 8.637 8.427 0.210 25834 6583 1 7 . 1 1 168 168 LYS N N 168 123.312 123.312 125.867 -2.555 25834 6584 1 7 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.840 0.646 25834 6585 1 7 . 1 1 168 168 LYS C C 168 176.634 176.634 175.396 1.238 25834 6586 1 7 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.374 -0.462 25834 6587 1 7 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.988 1.914 25834 6588 1 7 . 1 1 168 168 LYS H H 168 9.005 9.005 8.825 0.180 25834 6589 1 7 . 1 1 169 169 VAL N N 169 125.863 125.863 126.043 -0.180 25834 6590 1 7 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.436 -0.618 25834 6591 1 7 . 1 1 169 169 VAL C C 169 175.804 175.804 176.015 -0.211 25834 6592 1 7 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.043 1.812 25834 6593 1 7 . 1 1 169 169 VAL CB C 169 30.937 30.937 31.896 -0.959 25834 6594 1 7 . 1 1 169 169 VAL H H 169 8.305 8.305 8.270 0.035 25834 6595 1 7 . 1 1 170 170 GLN N N 170 129.871 129.871 122.965 6.906 25834 6596 1 7 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.537 0.330 25834 6597 1 7 . 1 1 170 170 GLN C C 170 174.293 174.293 172.896 1.397 25834 6598 1 7 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.004 -1.186 25834 6599 1 7 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.242 -0.562 25834 6600 1 7 . 1 1 170 170 GLN H H 170 9.124 9.124 8.093 1.031 25834 6601 1 7 . 1 1 171 171 LEU N N 171 122.168 122.168 123.814 -1.646 25834 6602 1 7 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.709 -0.217 25834 6603 1 7 . 1 1 171 171 LEU C C 171 177.672 177.672 176.461 1.211 25834 6604 1 7 . 1 1 171 171 LEU CA C 171 55.951 55.951 53.556 2.395 25834 6605 1 7 . 1 1 171 171 LEU CB C 171 44.023 44.023 44.068 -0.045 25834 6606 1 7 . 1 1 171 171 LEU H H 171 8.569 8.569 8.328 0.241 25834 6607 1 7 . 1 1 172 172 GLY N N 172 111.174 111.174 113.993 -2.819 25834 6608 1 7 . 1 1 172 172 GLY C C 172 171.895 171.895 173.451 -1.556 25834 6609 1 7 . 1 1 172 172 GLY CA C 172 44.179 44.179 44.076 0.103 25834 6610 1 7 . 1 1 172 172 GLY H H 172 8.588 8.588 8.181 0.407 25834 6611 1 7 . 1 1 175 175 SER N N 175 115.756 115.756 117.770 -2.014 25834 6612 1 7 . 1 1 175 175 SER HA H 175 4.274 4.274 4.513 -0.239 25834 6613 1 7 . 1 1 175 175 SER C C 175 174.314 174.314 174.986 -0.672 25834 6614 1 7 . 1 1 175 175 SER CA C 175 57.998 57.998 58.015 -0.017 25834 6615 1 7 . 1 1 175 175 SER CB C 175 63.886 63.886 63.392 0.494 25834 6616 1 7 . 1 1 175 175 SER H H 175 7.661 7.661 8.364 -0.703 25834 6617 1 7 . 1 1 176 176 SER N N 176 117.882 117.882 118.429 -0.547 25834 6618 1 7 . 1 1 176 176 SER HA H 176 4.698 4.698 4.561 0.137 25834 6619 1 7 . 1 1 176 176 SER C C 176 173.521 173.521 174.446 -0.925 25834 6620 1 7 . 1 1 176 176 SER CA C 176 58.601 58.601 57.498 1.103 25834 6621 1 7 . 1 1 176 176 SER CB C 176 64.242 64.242 63.565 0.677 25834 6622 1 7 . 1 1 176 176 SER H H 176 8.265 8.265 7.957 0.308 25834 6623 1 8 . 1 1 1 1 MET N N 1 121.215 121.215 119.269 1.946 25834 6624 1 8 . 1 1 1 1 MET HA H 1 4.416 4.416 4.704 -0.288 25834 6625 1 8 . 1 1 1 1 MET C C 1 176.061 176.061 174.675 1.386 25834 6626 1 8 . 1 1 1 1 MET CA C 1 55.827 55.827 54.054 1.772 25834 6627 1 8 . 1 1 1 1 MET CB C 1 32.869 32.869 34.298 -1.429 25834 6628 1 8 . 1 1 1 1 MET H H 1 8.477 8.477 7.939 0.538 25834 6629 1 8 . 1 1 2 2 VAL N N 2 122.483 122.483 118.096 4.387 25834 6630 1 8 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.473 -0.306 25834 6631 1 8 . 1 1 2 2 VAL C C 2 176.225 176.225 175.168 1.057 25834 6632 1 8 . 1 1 2 2 VAL CA C 2 62.156 62.156 61.827 0.329 25834 6633 1 8 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.811 0.044 25834 6634 1 8 . 1 1 2 2 VAL H H 2 8.213 8.213 8.177 0.036 25834 6635 1 8 . 1 1 3 3 THR N N 3 117.952 117.952 117.460 0.492 25834 6636 1 8 . 1 1 3 3 THR HA H 3 4.353 4.353 4.686 -0.333 25834 6637 1 8 . 1 1 3 3 THR C C 3 174.614 174.614 174.913 -0.299 25834 6638 1 8 . 1 1 3 3 THR CA C 3 61.571 61.571 61.218 0.353 25834 6639 1 8 . 1 1 3 3 THR CB C 3 69.948 69.948 70.646 -0.698 25834 6640 1 8 . 1 1 3 3 THR H H 3 8.228 8.228 8.108 0.120 25834 6641 1 8 . 1 1 4 4 SER N N 4 118.076 118.076 120.812 -2.736 25834 6642 1 8 . 1 1 4 4 SER HA H 4 4.490 4.490 4.440 0.050 25834 6643 1 8 . 1 1 4 4 SER C C 4 174.867 174.867 175.382 -0.515 25834 6644 1 8 . 1 1 4 4 SER CA C 4 58.451 58.451 58.632 -0.181 25834 6645 1 8 . 1 1 4 4 SER CB C 4 63.853 63.853 63.742 0.111 25834 6646 1 8 . 1 1 4 4 SER H H 4 8.350 8.350 8.350 -0.000 25834 6647 1 8 . 1 1 5 5 THR N N 5 115.176 115.176 112.748 2.428 25834 6648 1 8 . 1 1 5 5 THR HA H 5 4.277 4.277 4.259 0.018 25834 6649 1 8 . 1 1 5 5 THR C C 5 175.173 175.173 175.152 0.021 25834 6650 1 8 . 1 1 5 5 THR CA C 5 62.114 62.114 62.285 -0.171 25834 6651 1 8 . 1 1 5 5 THR CB C 5 69.702 69.702 69.210 0.492 25834 6652 1 8 . 1 1 5 5 THR H H 5 8.125 8.125 8.366 -0.241 25834 6653 1 8 . 1 1 6 6 GLY N N 6 110.725 110.725 109.449 1.276 25834 6654 1 8 . 1 1 6 6 GLY C C 6 173.939 173.939 174.091 -0.152 25834 6655 1 8 . 1 1 6 6 GLY CA C 6 45.253 45.253 44.737 0.516 25834 6656 1 8 . 1 1 6 6 GLY H H 6 8.289 8.289 7.998 0.291 25834 6657 1 8 . 1 1 7 7 LEU N N 7 121.627 121.627 121.829 -0.202 25834 6658 1 8 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.118 0.128 25834 6659 1 8 . 1 1 7 7 LEU C C 7 177.317 177.317 176.732 0.585 25834 6660 1 8 . 1 1 7 7 LEU CA C 7 55.509 55.509 55.377 0.132 25834 6661 1 8 . 1 1 7 7 LEU CB C 7 42.507 42.507 42.179 0.328 25834 6662 1 8 . 1 1 7 7 LEU H H 7 7.984 7.984 7.981 0.003 25834 6663 1 8 . 1 1 8 8 LEU N N 8 122.317 122.317 124.231 -1.914 25834 6664 1 8 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.684 -0.380 25834 6665 1 8 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.319 0.970 25834 6666 1 8 . 1 1 8 8 LEU CB C 8 42.314 42.314 45.265 -2.951 25834 6667 1 8 . 1 1 8 8 LEU H H 8 8.163 8.163 8.093 0.070 25834 6668 1 8 . 1 1 9 9 SER N N 9 116.218 116.218 117.852 -1.634 25834 6669 1 8 . 1 1 9 9 SER HA H 9 4.315 4.315 4.577 -0.262 25834 6670 1 8 . 1 1 9 9 SER CA C 9 58.253 58.253 57.665 0.588 25834 6671 1 8 . 1 1 9 9 SER CB C 9 63.786 63.786 63.982 -0.196 25834 6672 1 8 . 1 1 9 9 SER H H 9 8.088 8.088 8.242 -0.153 25834 6673 1 8 . 1 1 10 10 ARG N N 10 122.939 122.939 121.251 1.688 25834 6674 1 8 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.223 0.082 25834 6675 1 8 . 1 1 10 10 ARG C C 10 177.734 177.734 174.835 2.899 25834 6676 1 8 . 1 1 10 10 ARG CA C 10 56.289 56.289 56.467 -0.178 25834 6677 1 8 . 1 1 10 10 ARG CB C 10 30.591 30.591 30.216 0.375 25834 6678 1 8 . 1 1 10 10 ARG H H 10 8.211 8.211 8.449 -0.238 25834 6679 1 8 . 1 1 11 11 VAL N N 11 120.980 120.980 120.662 0.318 25834 6680 1 8 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.305 -0.300 25834 6681 1 8 . 1 1 11 11 VAL C C 11 175.793 175.793 175.965 -0.172 25834 6682 1 8 . 1 1 11 11 VAL CA C 11 62.353 62.353 60.210 2.143 25834 6683 1 8 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.018 -0.350 25834 6684 1 8 . 1 1 11 11 VAL H H 11 8.006 8.006 7.923 0.083 25834 6685 1 8 . 1 1 12 12 ALA N N 12 127.736 127.736 125.546 2.190 25834 6686 1 8 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.320 -0.088 25834 6687 1 8 . 1 1 12 12 ALA C C 12 177.174 177.174 177.074 0.100 25834 6688 1 8 . 1 1 12 12 ALA CA C 12 52.429 52.429 52.281 0.148 25834 6689 1 8 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.330 -0.103 25834 6690 1 8 . 1 1 12 12 ALA H H 12 8.246 8.246 8.373 -0.127 25834 6691 1 8 . 1 1 13 13 ALA N N 13 123.061 123.061 125.040 -1.979 25834 6692 1 8 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.602 -0.365 25834 6693 1 8 . 1 1 13 13 ALA C C 13 177.800 177.800 177.200 0.600 25834 6694 1 8 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.207 1.238 25834 6695 1 8 . 1 1 13 13 ALA CB C 13 19.115 19.115 20.223 -1.107 25834 6696 1 8 . 1 1 13 13 ALA H H 13 8.158 8.158 8.172 -0.014 25834 6697 1 8 . 1 1 14 14 VAL N N 14 119.391 119.391 122.287 -2.896 25834 6698 1 8 . 1 1 14 14 VAL HA H 14 4.000 4.000 3.934 0.066 25834 6699 1 8 . 1 1 14 14 VAL C C 14 176.284 176.284 175.415 0.869 25834 6700 1 8 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.701 -0.364 25834 6701 1 8 . 1 1 14 14 VAL CB C 14 32.739 32.739 32.108 0.631 25834 6702 1 8 . 1 1 14 14 VAL H H 14 7.988 7.988 8.472 -0.484 25834 6703 1 8 . 1 1 15 15 GLU N N 15 124.744 124.744 128.514 -3.770 25834 6704 1 8 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.607 -0.407 25834 6705 1 8 . 1 1 15 15 GLU C C 15 176.542 176.542 175.514 1.028 25834 6706 1 8 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.950 0.591 25834 6707 1 8 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.971 -0.443 25834 6708 1 8 . 1 1 15 15 GLU H H 15 8.369 8.369 8.397 -0.028 25834 6709 1 8 . 1 1 16 16 LYS N N 16 122.786 122.786 124.059 -1.273 25834 6710 1 8 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.644 -0.447 25834 6711 1 8 . 1 1 16 16 LYS C C 16 176.218 176.218 175.382 0.836 25834 6712 1 8 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.856 0.397 25834 6713 1 8 . 1 1 16 16 LYS CB C 16 32.898 32.898 34.289 -1.391 25834 6714 1 8 . 1 1 16 16 LYS H H 16 8.264 8.264 8.641 -0.377 25834 6715 1 8 . 1 1 17 17 ALA N N 17 125.458 125.458 124.064 1.394 25834 6716 1 8 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.690 -0.506 25834 6717 1 8 . 1 1 17 17 ALA C C 17 177.579 177.579 176.233 1.346 25834 6718 1 8 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.660 0.856 25834 6719 1 8 . 1 1 17 17 ALA CB C 17 19.105 19.105 19.631 -0.527 25834 6720 1 8 . 1 1 17 17 ALA H H 17 8.226 8.226 8.389 -0.163 25834 6721 1 8 . 1 1 18 18 ALA N N 18 123.616 123.616 122.474 1.142 25834 6722 1 8 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.376 -0.152 25834 6723 1 8 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.894 0.626 25834 6724 1 8 . 1 1 18 18 ALA CB C 18 19.127 19.127 19.284 -0.157 25834 6725 1 8 . 1 1 18 18 ALA H H 18 8.153 8.153 8.372 -0.219 25834 6726 1 8 . 1 1 19 19 GLU N N 19 120.282 120.282 122.012 -1.730 25834 6727 1 8 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.559 -0.360 25834 6728 1 8 . 1 1 19 19 GLU CA C 19 56.370 56.370 55.722 0.647 25834 6729 1 8 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.196 0.441 25834 6730 1 8 . 1 1 19 19 GLU H H 19 8.209 8.209 8.526 -0.317 25834 6731 1 8 . 1 1 20 20 ILE N N 20 122.046 122.046 125.063 -3.017 25834 6732 1 8 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.205 -0.145 25834 6733 1 8 . 1 1 20 20 ILE C C 20 175.806 175.806 176.500 -0.694 25834 6734 1 8 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.347 -0.367 25834 6735 1 8 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.110 0.580 25834 6736 1 8 . 1 1 20 20 ILE H H 20 8.038 8.038 8.595 -0.557 25834 6737 1 8 . 1 1 21 21 ALA N N 21 128.175 128.175 131.638 -3.463 25834 6738 1 8 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.392 -0.207 25834 6739 1 8 . 1 1 21 21 ALA C C 21 175.942 175.942 177.086 -1.144 25834 6740 1 8 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.972 0.475 25834 6741 1 8 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.613 -0.316 25834 6742 1 8 . 1 1 21 21 ALA H H 21 8.224 8.224 8.279 -0.055 25834 6743 1 8 . 1 1 22 22 LYS N N 22 120.107 120.107 119.336 0.771 25834 6744 1 8 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.764 -0.537 25834 6745 1 8 . 1 1 22 22 LYS C C 22 174.303 174.303 174.362 -0.059 25834 6746 1 8 . 1 1 22 22 LYS CA C 22 53.397 53.397 54.205 -0.808 25834 6747 1 8 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.328 2.131 25834 6748 1 8 . 1 1 22 22 LYS H H 22 7.903 7.903 8.475 -0.572 25834 6749 1 8 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.466 -0.123 25834 6750 1 8 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.389 0.304 25834 6751 1 8 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.489 -0.429 25834 6752 1 8 . 1 1 27 27 LYS N N 27 121.752 121.752 120.839 0.913 25834 6753 1 8 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.141 0.073 25834 6754 1 8 . 1 1 27 27 LYS C C 27 176.450 176.450 176.992 -0.542 25834 6755 1 8 . 1 1 27 27 LYS CA C 27 56.209 56.209 56.487 -0.278 25834 6756 1 8 . 1 1 27 27 LYS CB C 27 32.935 32.935 30.343 2.591 25834 6757 1 8 . 1 1 27 27 LYS H H 27 8.253 8.253 8.342 -0.089 25834 6758 1 8 . 1 1 28 28 VAL N N 28 123.000 123.000 119.322 3.678 25834 6759 1 8 . 1 1 28 28 VAL HA H 28 4.004 4.004 3.899 0.105 25834 6760 1 8 . 1 1 28 28 VAL C C 28 175.672 175.672 175.979 -0.307 25834 6761 1 8 . 1 1 28 28 VAL CA C 28 62.268 62.268 62.151 0.117 25834 6762 1 8 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.423 0.459 25834 6763 1 8 . 1 1 28 28 VAL H H 28 8.128 8.128 7.923 0.205 25834 6764 1 8 . 1 1 29 29 VAL N N 29 126.899 126.899 121.928 4.971 25834 6765 1 8 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.134 -0.263 25834 6766 1 8 . 1 1 29 29 VAL C C 29 174.835 174.835 176.659 -1.824 25834 6767 1 8 . 1 1 29 29 VAL CA C 29 62.288 62.288 62.585 -0.297 25834 6768 1 8 . 1 1 29 29 VAL CB C 29 32.811 32.811 31.837 0.974 25834 6769 1 8 . 1 1 29 29 VAL H H 29 8.144 8.144 8.126 0.018 25834 6770 1 8 . 1 1 30 30 GLU N N 30 125.745 125.745 123.556 2.189 25834 6771 1 8 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.360 -0.173 25834 6772 1 8 . 1 1 30 30 GLU C C 30 177.203 177.203 176.867 0.336 25834 6773 1 8 . 1 1 30 30 GLU CA C 30 55.688 55.688 56.140 -0.452 25834 6774 1 8 . 1 1 30 30 GLU CB C 30 30.501 30.501 30.489 0.012 25834 6775 1 8 . 1 1 30 30 GLU H H 30 8.239 8.239 8.380 -0.141 25834 6776 1 8 . 1 1 31 31 LEU N N 31 125.229 125.229 119.072 6.157 25834 6777 1 8 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.453 0.374 25834 6778 1 8 . 1 1 31 31 LEU C C 31 178.237 178.237 176.799 1.438 25834 6779 1 8 . 1 1 31 31 LEU CA C 31 54.633 54.633 55.706 -1.073 25834 6780 1 8 . 1 1 31 31 LEU CB C 31 43.356 43.356 42.172 1.184 25834 6781 1 8 . 1 1 31 31 LEU H H 31 8.513 8.513 8.273 0.240 25834 6782 1 8 . 1 1 32 32 THR N N 32 113.162 113.162 110.731 2.431 25834 6783 1 8 . 1 1 32 32 THR HA H 32 4.184 4.184 4.628 -0.444 25834 6784 1 8 . 1 1 32 32 THR C C 32 174.923 174.923 175.100 -0.177 25834 6785 1 8 . 1 1 32 32 THR CA C 32 61.002 61.002 60.457 0.545 25834 6786 1 8 . 1 1 32 32 THR CB C 32 70.848 70.848 71.448 -0.600 25834 6787 1 8 . 1 1 32 32 THR H H 32 8.444 8.444 8.013 0.431 25834 6788 1 8 . 1 1 33 33 GLU N N 33 119.849 119.849 120.600 -0.751 25834 6789 1 8 . 1 1 33 33 GLU HA H 33 3.756 3.756 4.226 -0.470 25834 6790 1 8 . 1 1 33 33 GLU C C 33 178.906 178.906 177.576 1.330 25834 6791 1 8 . 1 1 33 33 GLU CA C 33 59.855 59.855 58.691 1.164 25834 6792 1 8 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.180 -0.277 25834 6793 1 8 . 1 1 33 33 GLU H H 33 8.614 8.614 8.973 -0.359 25834 6794 1 8 . 1 1 34 34 ALA N N 34 118.382 118.382 121.410 -3.028 25834 6795 1 8 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.446 -0.476 25834 6796 1 8 . 1 1 34 34 ALA C C 34 180.554 180.554 179.251 1.303 25834 6797 1 8 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.877 0.706 25834 6798 1 8 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.517 0.259 25834 6799 1 8 . 1 1 34 34 ALA H H 34 8.102 8.102 8.031 0.071 25834 6800 1 8 . 1 1 35 35 ALA N N 35 121.658 121.658 120.508 1.150 25834 6801 1 8 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.302 -0.457 25834 6802 1 8 . 1 1 35 35 ALA C C 35 178.231 178.231 178.490 -0.259 25834 6803 1 8 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.142 0.364 25834 6804 1 8 . 1 1 35 35 ALA CB C 35 19.145 19.145 19.020 0.125 25834 6805 1 8 . 1 1 35 35 ALA H H 35 7.456 7.456 7.818 -0.362 25834 6806 1 8 . 1 1 36 36 LYS N N 36 114.479 114.479 117.304 -2.825 25834 6807 1 8 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.104 -0.248 25834 6808 1 8 . 1 1 36 36 LYS C C 36 176.884 176.884 177.854 -0.970 25834 6809 1 8 . 1 1 36 36 LYS CA C 36 58.800 58.800 57.761 1.039 25834 6810 1 8 . 1 1 36 36 LYS CB C 36 32.820 32.820 31.975 0.845 25834 6811 1 8 . 1 1 36 36 LYS H H 36 7.897 7.897 7.565 0.332 25834 6812 1 8 . 1 1 37 37 GLN N N 37 114.203 114.203 116.637 -2.434 25834 6813 1 8 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.351 -0.151 25834 6814 1 8 . 1 1 37 37 GLN C C 37 176.478 176.478 175.962 0.516 25834 6815 1 8 . 1 1 37 37 GLN CA C 37 55.119 55.119 55.748 -0.629 25834 6816 1 8 . 1 1 37 37 GLN CB C 37 28.383 28.383 29.556 -1.173 25834 6817 1 8 . 1 1 37 37 GLN H H 37 6.970 6.970 8.068 -1.098 25834 6818 1 8 . 1 1 38 38 LEU N N 38 120.478 120.478 122.965 -2.487 25834 6819 1 8 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.848 -1.003 25834 6820 1 8 . 1 1 38 38 LEU C C 38 171.820 171.820 175.359 -3.539 25834 6821 1 8 . 1 1 38 38 LEU CA C 38 53.862 53.862 52.176 1.686 25834 6822 1 8 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.580 -1.563 25834 6823 1 8 . 1 1 38 38 LEU H H 38 7.155 7.155 7.528 -0.373 25834 6824 1 8 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.471 -0.146 25834 6825 1 8 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.513 0.437 25834 6826 1 8 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.216 -0.134 25834 6827 1 8 . 1 1 40 40 GLN N N 40 125.695 125.695 120.494 5.201 25834 6828 1 8 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.179 -0.395 25834 6829 1 8 . 1 1 40 40 GLN C C 40 177.994 177.994 177.492 0.502 25834 6830 1 8 . 1 1 40 40 GLN CA C 40 59.489 59.489 55.760 3.729 25834 6831 1 8 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.208 -1.081 25834 6832 1 8 . 1 1 40 40 GLN H H 40 9.245 9.245 8.331 0.914 25834 6833 1 8 . 1 1 41 41 HIS N N 41 125.870 125.870 117.413 8.457 25834 6834 1 8 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.222 0.307 25834 6835 1 8 . 1 1 41 41 HIS CA C 41 58.408 58.408 58.506 -0.098 25834 6836 1 8 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.113 0.276 25834 6837 1 8 . 1 1 41 41 HIS H H 41 11.289 11.289 8.573 2.716 25834 6838 1 8 . 1 1 42 42 ILE N N 42 119.609 119.609 117.271 2.338 25834 6839 1 8 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.912 -0.045 25834 6840 1 8 . 1 1 42 42 ILE C C 42 178.715 178.715 177.452 1.263 25834 6841 1 8 . 1 1 42 42 ILE CA C 42 60.123 60.123 62.870 -2.747 25834 6842 1 8 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.402 -1.854 25834 6843 1 8 . 1 1 42 42 ILE H H 42 6.700 6.700 7.029 -0.329 25834 6844 1 8 . 1 1 43 43 ILE N N 43 122.532 122.532 119.256 3.276 25834 6845 1 8 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.868 -0.369 25834 6846 1 8 . 1 1 43 43 ILE C C 43 178.325 178.325 177.451 0.874 25834 6847 1 8 . 1 1 43 43 ILE CA C 43 65.537 65.537 62.812 2.724 25834 6848 1 8 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.656 0.582 25834 6849 1 8 . 1 1 43 43 ILE H H 43 7.673 7.673 7.530 0.143 25834 6850 1 8 . 1 1 44 44 GLY N N 44 101.559 101.559 106.807 -5.248 25834 6851 1 8 . 1 1 44 44 GLY C C 44 174.914 174.914 175.142 -0.228 25834 6852 1 8 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.864 -0.501 25834 6853 1 8 . 1 1 44 44 GLY H H 44 7.938 7.938 7.938 0.000 25834 6854 1 8 . 1 1 45 45 VAL N N 45 106.862 106.862 118.453 -11.591 25834 6855 1 8 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.213 0.545 25834 6856 1 8 . 1 1 45 45 VAL C C 45 175.397 175.397 176.281 -0.884 25834 6857 1 8 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.221 -1.690 25834 6858 1 8 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.764 0.260 25834 6859 1 8 . 1 1 45 45 VAL H H 45 6.843 6.843 7.225 -0.382 25834 6860 1 8 . 1 1 46 46 THR N N 46 117.226 117.226 114.743 2.483 25834 6861 1 8 . 1 1 46 46 THR HA H 46 4.447 4.447 4.131 0.316 25834 6862 1 8 . 1 1 46 46 THR C C 46 172.087 172.087 174.299 -2.212 25834 6863 1 8 . 1 1 46 46 THR CA C 46 62.571 62.571 62.357 0.214 25834 6864 1 8 . 1 1 46 46 THR CB C 46 68.863 68.863 69.515 -0.652 25834 6865 1 8 . 1 1 46 46 THR H H 46 7.093 7.093 7.293 -0.200 25834 6866 1 8 . 1 1 47 47 ASP N N 47 127.436 127.436 122.314 5.122 25834 6867 1 8 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.825 -0.208 25834 6868 1 8 . 1 1 47 47 ASP C C 47 174.684 174.684 176.771 -2.087 25834 6869 1 8 . 1 1 47 47 ASP CA C 47 52.604 52.604 52.648 -0.044 25834 6870 1 8 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.195 1.542 25834 6871 1 8 . 1 1 47 47 ASP H H 47 7.612 7.612 8.531 -0.919 25834 6872 1 8 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.332 -0.343 25834 6873 1 8 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.456 -0.427 25834 6874 1 8 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.031 0.249 25834 6875 1 8 . 1 1 49 49 THR N N 49 114.121 114.121 113.081 1.040 25834 6876 1 8 . 1 1 49 49 THR HA H 49 4.189 4.189 4.317 -0.128 25834 6877 1 8 . 1 1 49 49 THR C C 49 177.000 177.000 176.604 0.396 25834 6878 1 8 . 1 1 49 49 THR CA C 49 66.844 66.844 64.774 2.070 25834 6879 1 8 . 1 1 49 49 THR CB C 49 67.824 67.824 68.895 -1.071 25834 6880 1 8 . 1 1 49 49 THR H H 49 7.942 7.942 8.238 -0.296 25834 6881 1 8 . 1 1 50 50 LYS N N 50 123.787 123.787 122.368 1.419 25834 6882 1 8 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.274 -0.357 25834 6883 1 8 . 1 1 50 50 LYS C C 50 177.547 177.547 178.600 -1.053 25834 6884 1 8 . 1 1 50 50 LYS CA C 50 58.732 58.732 59.059 -0.327 25834 6885 1 8 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.489 0.826 25834 6886 1 8 . 1 1 50 50 LYS H H 50 7.070 7.070 7.837 -0.767 25834 6887 1 8 . 1 1 51 51 LEU N N 51 115.307 115.307 117.336 -2.029 25834 6888 1 8 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.075 -0.270 25834 6889 1 8 . 1 1 51 51 LEU C C 51 178.314 178.314 178.122 0.192 25834 6890 1 8 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.920 0.074 25834 6891 1 8 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.737 -0.521 25834 6892 1 8 . 1 1 51 51 LEU H H 51 7.439 7.439 8.062 -0.623 25834 6893 1 8 . 1 1 52 52 ASN N N 52 115.979 115.979 117.960 -1.981 25834 6894 1 8 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.428 -0.156 25834 6895 1 8 . 1 1 52 52 ASN C C 52 178.387 178.387 176.989 1.398 25834 6896 1 8 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.918 -0.753 25834 6897 1 8 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.400 -0.509 25834 6898 1 8 . 1 1 52 52 ASN H H 52 8.533 8.533 7.727 0.806 25834 6899 1 8 . 1 1 53 53 ALA N N 53 119.261 119.261 121.459 -2.198 25834 6900 1 8 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.175 0.055 25834 6901 1 8 . 1 1 53 53 ALA C C 53 179.957 179.957 178.991 0.966 25834 6902 1 8 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.485 -0.448 25834 6903 1 8 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.392 0.930 25834 6904 1 8 . 1 1 53 53 ALA H H 53 7.681 7.681 7.460 0.221 25834 6905 1 8 . 1 1 54 54 GLN N N 54 111.586 111.586 114.366 -2.780 25834 6906 1 8 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.171 0.235 25834 6907 1 8 . 1 1 54 54 GLN C C 54 178.500 178.500 177.557 0.943 25834 6908 1 8 . 1 1 54 54 GLN CA C 54 57.793 57.793 56.756 1.037 25834 6909 1 8 . 1 1 54 54 GLN CB C 54 29.431 29.431 28.880 0.551 25834 6910 1 8 . 1 1 54 54 GLN H H 54 7.905 7.905 7.430 0.475 25834 6911 1 8 . 1 1 55 55 VAL N N 55 120.362 120.362 120.122 0.240 25834 6912 1 8 . 1 1 55 55 VAL HA H 55 4.205 4.205 3.893 0.312 25834 6913 1 8 . 1 1 55 55 VAL C C 55 174.795 174.795 177.385 -2.590 25834 6914 1 8 . 1 1 55 55 VAL CA C 55 64.682 64.682 65.329 -0.647 25834 6915 1 8 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.306 -0.919 25834 6916 1 8 . 1 1 55 55 VAL H H 55 8.137 8.137 7.624 0.513 25834 6917 1 8 . 1 1 56 56 SER N N 56 114.478 114.478 112.808 1.670 25834 6918 1 8 . 1 1 56 56 SER HA H 56 3.882 3.882 4.200 -0.318 25834 6919 1 8 . 1 1 56 56 SER C C 56 174.256 174.256 174.129 0.127 25834 6920 1 8 . 1 1 56 56 SER CA C 56 60.480 60.480 59.638 0.842 25834 6921 1 8 . 1 1 56 56 SER CB C 56 62.427 62.427 63.201 -0.774 25834 6922 1 8 . 1 1 56 56 SER H H 56 7.899 7.899 7.743 0.156 25834 6923 1 8 . 1 1 57 57 TYR N N 57 117.315 117.315 118.633 -1.318 25834 6924 1 8 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.611 -0.274 25834 6925 1 8 . 1 1 57 57 TYR C C 57 175.570 175.570 175.135 0.435 25834 6926 1 8 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.933 -0.260 25834 6927 1 8 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.956 -0.693 25834 6928 1 8 . 1 1 57 57 TYR H H 57 7.662 7.662 7.461 0.201 25834 6929 1 8 . 1 1 58 58 PHE N N 58 118.544 118.544 113.936 4.608 25834 6930 1 8 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.872 -0.466 25834 6931 1 8 . 1 1 58 58 PHE C C 58 171.715 171.715 173.615 -1.900 25834 6932 1 8 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.250 1.239 25834 6933 1 8 . 1 1 58 58 PHE CB C 58 41.401 41.401 40.743 0.658 25834 6934 1 8 . 1 1 58 58 PHE H H 58 7.727 7.727 7.949 -0.222 25834 6935 1 8 . 1 1 59 59 GLN N N 59 127.699 127.699 120.679 7.020 25834 6936 1 8 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.576 -0.859 25834 6937 1 8 . 1 1 59 59 GLN C C 59 172.421 172.421 175.311 -2.890 25834 6938 1 8 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.210 0.002 25834 6939 1 8 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.573 -3.628 25834 6940 1 8 . 1 1 59 59 GLN H H 59 7.909 7.909 8.752 -0.843 25834 6941 1 8 . 1 1 60 60 CYS N N 60 125.668 125.668 123.121 2.547 25834 6942 1 8 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.724 -1.446 25834 6943 1 8 . 1 1 60 60 CYS C C 60 171.317 171.317 173.357 -2.040 25834 6944 1 8 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.167 1.256 25834 6945 1 8 . 1 1 60 60 CYS CB C 60 26.588 26.588 28.093 -1.505 25834 6946 1 8 . 1 1 60 60 CYS H H 60 6.802 6.802 8.393 -1.591 25834 6947 1 8 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.343 -0.241 25834 6948 1 8 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.824 -0.354 25834 6949 1 8 . 1 1 62 62 PRO CB C 62 31.620 31.620 32.068 -0.448 25834 6950 1 8 . 1 1 63 63 TRP N N 63 110.609 110.609 114.744 -4.135 25834 6951 1 8 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.602 -0.170 25834 6952 1 8 . 1 1 63 63 TRP C C 63 176.764 176.764 174.798 1.966 25834 6953 1 8 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.520 -1.512 25834 6954 1 8 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.295 0.063 25834 6955 1 8 . 1 1 63 63 TRP H H 63 6.172 6.172 7.372 -1.200 25834 6956 1 8 . 1 1 64 64 ALA N N 64 124.983 124.983 120.946 4.037 25834 6957 1 8 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.470 0.946 25834 6958 1 8 . 1 1 64 64 ALA C C 64 176.025 176.025 177.154 -1.129 25834 6959 1 8 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.509 0.128 25834 6960 1 8 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.600 1.755 25834 6961 1 8 . 1 1 64 64 ALA H H 64 7.038 7.038 6.657 0.381 25834 6962 1 8 . 1 1 65 65 ALA N N 65 120.111 120.111 122.676 -2.565 25834 6963 1 8 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.012 0.593 25834 6964 1 8 . 1 1 65 65 ALA C C 65 175.012 175.012 175.946 -0.934 25834 6965 1 8 . 1 1 65 65 ALA CA C 65 50.868 50.868 52.989 -2.121 25834 6966 1 8 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.416 6.306 25834 6967 1 8 . 1 1 65 65 ALA H H 65 8.344 8.344 8.487 -0.143 25834 6968 1 8 . 1 1 66 66 LEU N N 66 118.667 118.667 118.370 0.297 25834 6969 1 8 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.527 -0.544 25834 6970 1 8 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.123 1.064 25834 6971 1 8 . 1 1 66 66 LEU CB C 66 42.535 42.535 42.820 -0.285 25834 6972 1 8 . 1 1 66 66 LEU H H 66 8.272 8.272 7.616 0.656 25834 6973 1 8 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.169 -1.018 25834 6974 1 8 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.458 0.662 25834 6975 1 8 . 1 1 67 67 PRO CB C 67 31.810 31.810 31.935 -0.125 25834 6976 1 8 . 1 1 68 68 SER N N 68 118.916 118.916 115.901 3.015 25834 6977 1 8 . 1 1 68 68 SER HA H 68 4.197 4.197 4.554 -0.357 25834 6978 1 8 . 1 1 68 68 SER C C 68 173.454 173.454 173.120 0.334 25834 6979 1 8 . 1 1 68 68 SER CA C 68 57.667 57.667 58.599 -0.931 25834 6980 1 8 . 1 1 68 68 SER CB C 68 63.129 63.129 63.774 -0.645 25834 6981 1 8 . 1 1 68 68 SER H H 68 6.468 6.468 8.624 -2.156 25834 6982 1 8 . 1 1 69 69 VAL N N 69 119.159 119.159 120.318 -1.159 25834 6983 1 8 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.320 -0.114 25834 6984 1 8 . 1 1 69 69 VAL C C 69 174.162 174.162 174.946 -0.784 25834 6985 1 8 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.975 -0.439 25834 6986 1 8 . 1 1 69 69 VAL CB C 69 34.809 34.809 35.139 -0.330 25834 6987 1 8 . 1 1 69 69 VAL H H 69 6.702 6.702 7.520 -0.818 25834 6988 1 8 . 1 1 70 70 ALA N N 70 128.571 128.571 129.781 -1.210 25834 6989 1 8 . 1 1 70 70 ALA HA H 70 4.224 4.224 5.110 -0.886 25834 6990 1 8 . 1 1 70 70 ALA C C 70 176.888 176.888 176.543 0.345 25834 6991 1 8 . 1 1 70 70 ALA CA C 70 52.890 52.890 52.100 0.790 25834 6992 1 8 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.267 0.451 25834 6993 1 8 . 1 1 70 70 ALA H H 70 8.486 8.486 8.710 -0.224 25834 6994 1 8 . 1 1 71 71 CYS N N 71 120.365 120.365 121.761 -1.396 25834 6995 1 8 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.234 0.212 25834 6996 1 8 . 1 1 71 71 CYS C C 71 173.126 173.126 173.488 -0.362 25834 6997 1 8 . 1 1 71 71 CYS CA C 71 58.111 58.111 57.101 1.010 25834 6998 1 8 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.208 0.525 25834 6999 1 8 . 1 1 71 71 CYS H H 71 8.222 8.222 8.844 -0.622 25834 7000 1 8 . 1 1 72 72 HIS N N 72 114.002 114.002 115.168 -1.166 25834 7001 1 8 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.200 -0.347 25834 7002 1 8 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.183 0.751 25834 7003 1 8 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.349 -0.891 25834 7004 1 8 . 1 1 72 72 HIS H H 72 9.033 9.033 8.498 0.535 25834 7005 1 8 . 1 1 73 73 LEU N N 73 117.312 117.312 120.598 -3.286 25834 7006 1 8 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.608 0.415 25834 7007 1 8 . 1 1 73 73 LEU C C 73 176.776 176.776 174.951 1.825 25834 7008 1 8 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.290 -0.656 25834 7009 1 8 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.405 -3.043 25834 7010 1 8 . 1 1 73 73 LEU H H 73 9.300 9.300 8.249 1.051 25834 7011 1 8 . 1 1 74 74 GLN N N 74 125.734 125.734 124.740 0.994 25834 7012 1 8 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.658 -0.073 25834 7013 1 8 . 1 1 74 74 GLN C C 74 175.495 175.495 173.824 1.671 25834 7014 1 8 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.548 0.417 25834 7015 1 8 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.827 -1.310 25834 7016 1 8 . 1 1 74 74 GLN H H 74 9.117 9.117 8.307 0.810 25834 7017 1 8 . 1 1 75 75 CYS N N 75 129.141 129.141 125.652 3.489 25834 7018 1 8 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.446 -0.399 25834 7019 1 8 . 1 1 75 75 CYS C C 75 173.524 173.524 174.671 -1.147 25834 7020 1 8 . 1 1 75 75 CYS CA C 75 57.494 57.494 56.909 0.585 25834 7021 1 8 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.363 -2.070 25834 7022 1 8 . 1 1 75 75 CYS H H 75 9.362 9.362 8.940 0.422 25834 7023 1 8 . 1 1 76 76 THR N N 76 120.173 120.173 115.232 4.941 25834 7024 1 8 . 1 1 76 76 THR HA H 76 5.014 5.014 4.940 0.074 25834 7025 1 8 . 1 1 76 76 THR C C 76 172.958 172.958 173.591 -0.633 25834 7026 1 8 . 1 1 76 76 THR CA C 76 59.790 59.790 60.346 -0.556 25834 7027 1 8 . 1 1 76 76 THR CB C 76 72.870 72.870 70.391 2.479 25834 7028 1 8 . 1 1 76 76 THR H H 76 8.477 8.477 8.116 0.361 25834 7029 1 8 . 1 1 77 77 ARG N N 77 121.783 121.783 122.184 -0.401 25834 7030 1 8 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.558 -0.146 25834 7031 1 8 . 1 1 77 77 ARG C C 77 175.808 175.808 175.381 0.427 25834 7032 1 8 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.888 -0.167 25834 7033 1 8 . 1 1 77 77 ARG CB C 77 33.164 33.164 31.890 1.274 25834 7034 1 8 . 1 1 77 77 ARG H H 77 8.769 8.769 8.067 0.702 25834 7035 1 8 . 1 1 78 78 ASP N N 78 130.879 130.879 123.769 7.110 25834 7036 1 8 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.311 -0.121 25834 7037 1 8 . 1 1 78 78 ASP C C 78 175.472 175.472 176.680 -1.208 25834 7038 1 8 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.165 0.544 25834 7039 1 8 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.458 0.203 25834 7040 1 8 . 1 1 78 78 ASP H H 78 9.499 9.499 9.133 0.366 25834 7041 1 8 . 1 1 79 79 GLY N N 79 102.423 102.423 102.745 -0.322 25834 7042 1 8 . 1 1 79 79 GLY C C 79 173.613 173.613 174.354 -0.741 25834 7043 1 8 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.233 -0.271 25834 7044 1 8 . 1 1 79 79 GLY H H 79 8.361 8.361 8.566 -0.205 25834 7045 1 8 . 1 1 80 80 LEU N N 80 123.754 123.754 121.795 1.959 25834 7046 1 8 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.665 0.322 25834 7047 1 8 . 1 1 80 80 LEU C C 80 174.659 174.659 174.897 -0.238 25834 7048 1 8 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.249 0.941 25834 7049 1 8 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.090 -1.037 25834 7050 1 8 . 1 1 80 80 LEU H H 80 7.775 7.775 7.634 0.141 25834 7051 1 8 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.402 0.165 25834 7052 1 8 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.580 0.280 25834 7053 1 8 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.761 1.699 25834 7054 1 8 . 1 1 82 82 LEU N N 82 126.089 126.089 125.233 0.856 25834 7055 1 8 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.470 0.519 25834 7056 1 8 . 1 1 82 82 LEU C C 82 174.148 174.148 176.118 -1.970 25834 7057 1 8 . 1 1 82 82 LEU CA C 82 52.635 52.635 52.923 -0.288 25834 7058 1 8 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.755 1.246 25834 7059 1 8 . 1 1 82 82 LEU H H 82 8.131 8.131 7.704 0.427 25834 7060 1 8 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.435 -0.245 25834 7061 1 8 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.537 1.303 25834 7062 1 8 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.542 0.538 25834 7063 1 8 . 1 1 84 84 ALA N N 84 123.359 123.359 126.067 -2.708 25834 7064 1 8 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.529 -0.338 25834 7065 1 8 . 1 1 84 84 ALA C C 84 178.112 178.112 177.265 0.847 25834 7066 1 8 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.142 -0.388 25834 7067 1 8 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.089 1.053 25834 7068 1 8 . 1 1 84 84 ALA H H 84 8.063 8.063 8.255 -0.192 25834 7069 1 8 . 1 1 85 85 LEU N N 85 118.757 118.757 121.850 -3.093 25834 7070 1 8 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.535 0.098 25834 7071 1 8 . 1 1 85 85 LEU C C 85 177.225 177.225 176.693 0.532 25834 7072 1 8 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.223 -0.865 25834 7073 1 8 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.721 -3.551 25834 7074 1 8 . 1 1 85 85 LEU H H 85 8.393 8.393 8.148 0.245 25834 7075 1 8 . 1 1 86 86 GLY N N 86 112.143 112.143 110.224 1.919 25834 7076 1 8 . 1 1 86 86 GLY C C 86 173.704 173.704 174.995 -1.291 25834 7077 1 8 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.332 1.548 25834 7078 1 8 . 1 1 86 86 GLY H H 86 9.046 9.046 8.616 0.430 25834 7079 1 8 . 1 1 87 87 LEU N N 87 123.289 123.289 127.272 -3.983 25834 7080 1 8 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.139 0.392 25834 7081 1 8 . 1 1 87 87 LEU C C 87 177.568 177.568 176.321 1.247 25834 7082 1 8 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.650 -0.691 25834 7083 1 8 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.905 3.006 25834 7084 1 8 . 1 1 87 87 LEU H H 87 7.934 7.934 8.051 -0.117 25834 7085 1 8 . 1 1 88 88 HIS N N 88 116.221 116.221 116.798 -0.577 25834 7086 1 8 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.237 -0.366 25834 7087 1 8 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.418 3.150 25834 7088 1 8 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.140 1.636 25834 7089 1 8 . 1 1 88 88 HIS H H 88 9.253 9.253 7.985 1.268 25834 7090 1 8 . 1 1 89 89 ARG N N 89 118.280 118.280 118.495 -0.215 25834 7091 1 8 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.395 -0.355 25834 7092 1 8 . 1 1 89 89 ARG C C 89 175.205 175.205 176.418 -1.213 25834 7093 1 8 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.920 -0.389 25834 7094 1 8 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.512 1.291 25834 7095 1 8 . 1 1 89 89 ARG H H 89 7.300 7.300 8.662 -1.362 25834 7096 1 8 . 1 1 90 90 PHE N N 90 113.880 113.880 117.139 -3.259 25834 7097 1 8 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.786 0.617 25834 7098 1 8 . 1 1 90 90 PHE C C 90 172.663 172.663 173.538 -0.875 25834 7099 1 8 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.663 -2.308 25834 7100 1 8 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.702 -0.591 25834 7101 1 8 . 1 1 90 90 PHE H H 90 7.252 7.252 7.890 -0.638 25834 7102 1 8 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.275 0.574 25834 7103 1 8 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.070 -0.731 25834 7104 1 8 . 1 1 91 91 PRO CB C 91 32.970 32.970 31.765 1.205 25834 7105 1 8 . 1 1 92 92 PHE N N 92 104.480 104.480 112.933 -8.453 25834 7106 1 8 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.241 0.732 25834 7107 1 8 . 1 1 92 92 PHE C C 92 172.347 172.347 173.272 -0.925 25834 7108 1 8 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.421 -0.061 25834 7109 1 8 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.786 -0.039 25834 7110 1 8 . 1 1 92 92 PHE H H 92 6.117 6.117 6.744 -0.627 25834 7111 1 8 . 1 1 93 93 TYR N N 93 120.959 120.959 117.348 3.611 25834 7112 1 8 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.720 -0.351 25834 7113 1 8 . 1 1 93 93 TYR C C 93 173.417 173.417 173.527 -0.110 25834 7114 1 8 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.333 0.055 25834 7115 1 8 . 1 1 93 93 TYR CB C 93 43.450 43.450 42.008 1.442 25834 7116 1 8 . 1 1 93 93 TYR H H 93 9.370 9.370 8.883 0.487 25834 7117 1 8 . 1 1 94 94 LEU N N 94 123.359 123.359 123.975 -0.616 25834 7118 1 8 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.583 0.500 25834 7119 1 8 . 1 1 94 94 LEU C C 94 176.045 176.045 175.101 0.944 25834 7120 1 8 . 1 1 94 94 LEU CA C 94 54.107 54.107 53.768 0.339 25834 7121 1 8 . 1 1 94 94 LEU CB C 94 45.173 45.173 43.904 1.269 25834 7122 1 8 . 1 1 94 94 LEU H H 94 10.272 10.272 8.596 1.676 25834 7123 1 8 . 1 1 95 95 PHE N N 95 119.493 119.493 126.353 -6.860 25834 7124 1 8 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.939 0.298 25834 7125 1 8 . 1 1 95 95 PHE C C 95 175.870 175.870 175.340 0.530 25834 7126 1 8 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.851 -1.082 25834 7127 1 8 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.013 2.317 25834 7128 1 8 . 1 1 95 95 PHE H H 95 8.761 8.761 8.874 -0.113 25834 7129 1 8 . 1 1 96 96 GLY N N 96 109.374 109.374 111.245 -1.871 25834 7130 1 8 . 1 1 96 96 GLY C C 96 170.712 170.712 172.713 -2.001 25834 7131 1 8 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.114 0.273 25834 7132 1 8 . 1 1 96 96 GLY H H 96 7.966 7.966 8.593 -0.627 25834 7133 1 8 . 1 1 97 97 ARG N N 97 119.683 119.683 119.687 -0.004 25834 7134 1 8 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.652 -0.003 25834 7135 1 8 . 1 1 97 97 ARG C C 97 177.225 177.225 176.273 0.952 25834 7136 1 8 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.679 1.820 25834 7137 1 8 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.533 0.341 25834 7138 1 8 . 1 1 97 97 ARG H H 97 8.147 8.147 8.097 0.050 25834 7139 1 8 . 1 1 98 98 SER N N 98 113.711 113.711 116.296 -2.585 25834 7140 1 8 . 1 1 98 98 SER HA H 98 4.337 4.337 4.408 -0.071 25834 7141 1 8 . 1 1 98 98 SER C C 98 176.172 176.172 174.450 1.722 25834 7142 1 8 . 1 1 98 98 SER CA C 98 57.909 57.909 57.580 0.329 25834 7143 1 8 . 1 1 98 98 SER CB C 98 63.085 63.085 64.414 -1.329 25834 7144 1 8 . 1 1 98 98 SER H H 98 9.133 9.133 7.608 1.525 25834 7145 1 8 . 1 1 99 99 LYS N N 99 124.590 124.590 121.299 3.291 25834 7146 1 8 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.190 -0.246 25834 7147 1 8 . 1 1 99 99 LYS C C 99 176.548 176.548 176.733 -0.185 25834 7148 1 8 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.816 0.378 25834 7149 1 8 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.878 -0.217 25834 7150 1 8 . 1 1 99 99 LYS H H 99 8.451 8.451 8.792 -0.341 25834 7151 1 8 . 1 1 100 100 VAL N N 100 114.126 114.126 112.474 1.652 25834 7152 1 8 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.216 -0.318 25834 7153 1 8 . 1 1 100 100 VAL C C 100 176.832 176.832 176.168 0.664 25834 7154 1 8 . 1 1 100 100 VAL CA C 100 62.964 62.964 61.666 1.298 25834 7155 1 8 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.748 -0.055 25834 7156 1 8 . 1 1 100 100 VAL H H 100 7.512 7.512 7.479 0.033 25834 7157 1 8 . 1 1 101 101 CYS N N 101 119.359 119.359 118.985 0.374 25834 7158 1 8 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.497 -1.010 25834 7159 1 8 . 1 1 101 101 CYS C C 101 172.156 172.156 175.136 -2.980 25834 7160 1 8 . 1 1 101 101 CYS CA C 101 61.155 61.155 58.652 2.503 25834 7161 1 8 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.946 -3.098 25834 7162 1 8 . 1 1 101 101 CYS H H 101 7.641 7.641 7.232 0.409 25834 7163 1 8 . 1 1 102 102 ASP N N 102 118.734 118.734 120.086 -1.352 25834 7164 1 8 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.540 -0.611 25834 7165 1 8 . 1 1 102 102 ASP C C 102 175.410 175.410 175.536 -0.126 25834 7166 1 8 . 1 1 102 102 ASP CA C 102 57.029 57.029 55.363 1.666 25834 7167 1 8 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.577 1.351 25834 7168 1 8 . 1 1 102 102 ASP H H 102 7.367 7.367 8.397 -1.030 25834 7169 1 8 . 1 1 103 103 TYR N N 103 114.004 114.004 118.342 -4.338 25834 7170 1 8 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.540 0.692 25834 7171 1 8 . 1 1 103 103 TYR C C 103 172.997 172.997 173.847 -0.850 25834 7172 1 8 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.442 -0.088 25834 7173 1 8 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.891 -2.611 25834 7174 1 8 . 1 1 103 103 TYR H H 103 7.111 7.111 7.585 -0.474 25834 7175 1 8 . 1 1 104 104 VAL N N 104 124.660 124.660 127.044 -2.384 25834 7176 1 8 . 1 1 104 104 VAL HA H 104 4.525 4.525 5.109 -0.584 25834 7177 1 8 . 1 1 104 104 VAL C C 104 176.491 176.491 175.038 1.453 25834 7178 1 8 . 1 1 104 104 VAL CA C 104 61.221 61.221 61.312 -0.091 25834 7179 1 8 . 1 1 104 104 VAL CB C 104 31.806 31.806 32.302 -0.496 25834 7180 1 8 . 1 1 104 104 VAL H H 104 8.210 8.210 8.310 -0.100 25834 7181 1 8 . 1 1 105 105 LEU N N 105 130.546 130.546 128.557 1.989 25834 7182 1 8 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.946 -0.379 25834 7183 1 8 . 1 1 105 105 LEU C C 105 175.794 175.794 175.631 0.163 25834 7184 1 8 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.630 -0.772 25834 7185 1 8 . 1 1 105 105 LEU CB C 105 43.199 43.199 43.657 -0.458 25834 7186 1 8 . 1 1 105 105 LEU H H 105 8.217 8.217 8.179 0.038 25834 7187 1 8 . 1 1 106 106 GLU N N 106 117.285 117.285 120.603 -3.318 25834 7188 1 8 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.606 -0.357 25834 7189 1 8 . 1 1 106 106 GLU C C 106 176.698 176.698 174.897 1.801 25834 7190 1 8 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.235 0.418 25834 7191 1 8 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.265 0.885 25834 7192 1 8 . 1 1 106 106 GLU H H 106 8.219 8.219 8.634 -0.415 25834 7193 1 8 . 1 1 107 107 HIS N N 107 123.685 123.685 123.078 0.607 25834 7194 1 8 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.790 -0.939 25834 7195 1 8 . 1 1 107 107 HIS CA C 107 58.239 58.239 55.031 3.208 25834 7196 1 8 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.151 -1.232 25834 7197 1 8 . 1 1 107 107 HIS H H 107 7.703 7.703 8.443 -0.740 25834 7198 1 8 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.529 -0.389 25834 7199 1 8 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.183 0.467 25834 7200 1 8 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.385 -0.365 25834 7201 1 8 . 1 1 109 109 SER N N 109 114.134 114.134 113.016 1.118 25834 7202 1 8 . 1 1 109 109 SER HA H 109 4.326 4.326 4.555 -0.229 25834 7203 1 8 . 1 1 109 109 SER C C 109 174.553 174.553 174.605 -0.052 25834 7204 1 8 . 1 1 109 109 SER CA C 109 59.214 59.214 59.454 -0.240 25834 7205 1 8 . 1 1 109 109 SER CB C 109 64.953 64.953 64.308 0.645 25834 7206 1 8 . 1 1 109 109 SER H H 109 9.035 9.035 8.061 0.974 25834 7207 1 8 . 1 1 110 110 ILE N N 110 128.498 128.498 124.860 3.638 25834 7208 1 8 . 1 1 110 110 ILE HA H 110 4.219 4.219 3.893 0.326 25834 7209 1 8 . 1 1 110 110 ILE C C 110 175.968 175.968 175.093 0.875 25834 7210 1 8 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.045 -2.142 25834 7211 1 8 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.107 -0.369 25834 7212 1 8 . 1 1 110 110 ILE H H 110 8.103 8.103 8.018 0.085 25834 7213 1 8 . 1 1 111 111 SER N N 111 127.509 127.509 123.313 4.196 25834 7214 1 8 . 1 1 111 111 SER HA H 111 4.207 4.207 4.827 -0.620 25834 7215 1 8 . 1 1 111 111 SER C C 111 174.300 174.300 175.847 -1.547 25834 7216 1 8 . 1 1 111 111 SER CA C 111 60.844 60.844 57.279 3.565 25834 7217 1 8 . 1 1 111 111 SER CB C 111 64.891 64.891 65.185 -0.294 25834 7218 1 8 . 1 1 111 111 SER H H 111 11.497 11.497 8.225 3.272 25834 7219 1 8 . 1 1 112 112 SER N N 112 120.261 120.261 116.507 3.754 25834 7220 1 8 . 1 1 112 112 SER HA H 112 4.208 4.208 4.345 -0.137 25834 7221 1 8 . 1 1 112 112 SER C C 112 174.250 174.250 174.288 -0.038 25834 7222 1 8 . 1 1 112 112 SER CA C 112 63.258 63.258 60.930 2.328 25834 7223 1 8 . 1 1 112 112 SER CB C 112 62.194 62.194 63.003 -0.809 25834 7224 1 8 . 1 1 112 112 SER H H 112 9.135 9.135 8.839 0.296 25834 7225 1 8 . 1 1 113 113 VAL N N 113 118.006 118.006 112.421 5.585 25834 7226 1 8 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.484 -0.831 25834 7227 1 8 . 1 1 113 113 VAL C C 113 173.570 173.570 174.769 -1.199 25834 7228 1 8 . 1 1 113 113 VAL CA C 113 64.376 64.376 61.077 3.300 25834 7229 1 8 . 1 1 113 113 VAL CB C 113 32.216 32.216 31.759 0.457 25834 7230 1 8 . 1 1 113 113 VAL H H 113 7.781 7.781 7.564 0.217 25834 7231 1 8 . 1 1 114 114 HIS N N 114 128.080 128.080 125.115 2.965 25834 7232 1 8 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.407 -0.213 25834 7233 1 8 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.385 -0.963 25834 7234 1 8 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.025 5.030 25834 7235 1 8 . 1 1 114 114 HIS H H 114 8.875 8.875 8.410 0.465 25834 7236 1 8 . 1 1 115 115 ALA N N 115 114.264 114.264 115.279 -1.015 25834 7237 1 8 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.881 0.350 25834 7238 1 8 . 1 1 115 115 ALA C C 115 173.729 173.729 174.405 -0.676 25834 7239 1 8 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.767 -0.809 25834 7240 1 8 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.267 2.337 25834 7241 1 8 . 1 1 115 115 ALA H H 115 8.250 8.250 7.661 0.589 25834 7242 1 8 . 1 1 116 116 VAL N N 116 116.683 116.683 120.848 -4.165 25834 7243 1 8 . 1 1 116 116 VAL HA H 116 5.858 5.858 5.079 0.779 25834 7244 1 8 . 1 1 116 116 VAL C C 116 173.135 173.135 173.524 -0.389 25834 7245 1 8 . 1 1 116 116 VAL CA C 116 57.808 57.808 58.997 -1.189 25834 7246 1 8 . 1 1 116 116 VAL CB C 116 36.180 36.180 34.858 1.322 25834 7247 1 8 . 1 1 116 116 VAL H H 116 8.808 8.808 7.874 0.934 25834 7248 1 8 . 1 1 117 117 LEU N N 117 124.933 124.933 126.386 -1.453 25834 7249 1 8 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.324 0.430 25834 7250 1 8 . 1 1 117 117 LEU C C 117 174.233 174.233 175.377 -1.144 25834 7251 1 8 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.940 0.972 25834 7252 1 8 . 1 1 117 117 LEU CB C 117 46.129 46.129 43.914 2.215 25834 7253 1 8 . 1 1 117 117 LEU H H 117 8.799 8.799 8.271 0.528 25834 7254 1 8 . 1 1 118 118 VAL N N 118 123.453 123.453 119.704 3.749 25834 7255 1 8 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.860 0.577 25834 7256 1 8 . 1 1 118 118 VAL C C 118 174.261 174.261 175.313 -1.052 25834 7257 1 8 . 1 1 118 118 VAL CA C 118 59.238 59.238 60.880 -1.642 25834 7258 1 8 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.517 -0.448 25834 7259 1 8 . 1 1 118 118 VAL H H 118 10.009 10.009 8.185 1.824 25834 7260 1 8 . 1 1 119 119 PHE N N 119 132.016 132.016 127.940 4.076 25834 7261 1 8 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.638 0.208 25834 7262 1 8 . 1 1 119 119 PHE C C 119 172.828 172.828 174.859 -2.031 25834 7263 1 8 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.659 3.630 25834 7264 1 8 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.719 -0.079 25834 7265 1 8 . 1 1 119 119 PHE H H 119 9.544 9.544 8.540 1.004 25834 7266 1 8 . 1 1 120 120 HIS N N 120 130.718 130.718 127.942 2.776 25834 7267 1 8 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.881 -1.037 25834 7268 1 8 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.709 -1.881 25834 7269 1 8 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.111 2.165 25834 7270 1 8 . 1 1 120 120 HIS H H 120 8.365 8.365 8.733 -0.368 25834 7271 1 8 . 1 1 121 121 GLY N N 121 111.906 111.906 114.400 -2.494 25834 7272 1 8 . 1 1 121 121 GLY C C 121 174.992 174.992 174.403 0.589 25834 7273 1 8 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.957 2.013 25834 7274 1 8 . 1 1 121 121 GLY H H 121 8.150 8.150 8.635 -0.485 25834 7275 1 8 . 1 1 122 122 GLY N N 122 111.156 111.156 108.047 3.109 25834 7276 1 8 . 1 1 122 122 GLY C C 122 175.834 175.834 175.091 0.743 25834 7277 1 8 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.556 0.840 25834 7278 1 8 . 1 1 122 122 GLY H H 122 9.055 9.055 7.901 1.154 25834 7279 1 8 . 1 1 123 123 GLN N N 123 121.769 121.769 117.839 3.930 25834 7280 1 8 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.320 -0.386 25834 7281 1 8 . 1 1 123 123 GLN C C 123 175.649 175.649 176.380 -0.731 25834 7282 1 8 . 1 1 123 123 GLN CA C 123 56.432 56.432 55.364 1.068 25834 7283 1 8 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.214 0.211 25834 7284 1 8 . 1 1 123 123 GLN H H 123 9.270 9.270 7.602 1.668 25834 7285 1 8 . 1 1 124 124 ARG N N 124 115.831 115.831 114.654 1.177 25834 7286 1 8 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.216 -0.750 25834 7287 1 8 . 1 1 124 124 ARG C C 124 173.830 173.830 175.535 -1.705 25834 7288 1 8 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.569 -0.378 25834 7289 1 8 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.270 -0.643 25834 7290 1 8 . 1 1 124 124 ARG H H 124 8.141 8.141 8.319 -0.178 25834 7291 1 8 . 1 1 125 125 CYS N N 125 111.895 111.895 113.264 -1.369 25834 7292 1 8 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.785 -0.295 25834 7293 1 8 . 1 1 125 125 CYS C C 125 172.037 172.037 173.281 -1.244 25834 7294 1 8 . 1 1 125 125 CYS CA C 125 55.647 55.647 55.238 0.409 25834 7295 1 8 . 1 1 125 125 CYS CB C 125 30.488 30.488 30.961 -0.473 25834 7296 1 8 . 1 1 125 125 CYS H H 125 6.808 6.808 7.514 -0.706 25834 7297 1 8 . 1 1 126 126 PHE N N 126 119.776 119.776 119.327 0.449 25834 7298 1 8 . 1 1 126 126 PHE HA H 126 4.805 4.805 5.035 -0.230 25834 7299 1 8 . 1 1 126 126 PHE C C 126 175.431 175.431 175.656 -0.225 25834 7300 1 8 . 1 1 126 126 PHE CA C 126 60.725 60.725 57.991 2.734 25834 7301 1 8 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.981 0.531 25834 7302 1 8 . 1 1 126 126 PHE H H 126 9.599 9.599 8.543 1.056 25834 7303 1 8 . 1 1 127 127 VAL N N 127 119.700 119.700 125.088 -5.388 25834 7304 1 8 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.483 0.142 25834 7305 1 8 . 1 1 127 127 VAL C C 127 173.499 173.499 174.904 -1.405 25834 7306 1 8 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.465 -0.964 25834 7307 1 8 . 1 1 127 127 VAL CB C 127 34.354 34.354 32.199 2.155 25834 7308 1 8 . 1 1 127 127 VAL H H 127 9.594 9.594 8.909 0.685 25834 7309 1 8 . 1 1 128 128 LEU N N 128 129.107 129.107 130.311 -1.204 25834 7310 1 8 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.281 0.136 25834 7311 1 8 . 1 1 128 128 LEU C C 128 175.310 175.310 175.605 -0.295 25834 7312 1 8 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.338 -0.348 25834 7313 1 8 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.104 2.431 25834 7314 1 8 . 1 1 128 128 LEU H H 128 9.545 9.545 8.231 1.314 25834 7315 1 8 . 1 1 129 129 MET N N 129 119.581 119.581 126.353 -6.772 25834 7316 1 8 . 1 1 129 129 MET HA H 129 4.792 4.792 5.055 -0.263 25834 7317 1 8 . 1 1 129 129 MET C C 129 174.562 174.562 174.939 -0.377 25834 7318 1 8 . 1 1 129 129 MET CA C 129 54.980 54.980 54.365 0.615 25834 7319 1 8 . 1 1 129 129 MET CB C 129 38.129 38.129 36.014 2.115 25834 7320 1 8 . 1 1 129 129 MET H H 129 8.724 8.724 8.116 0.608 25834 7321 1 8 . 1 1 130 130 ASP N N 130 124.566 124.566 123.963 0.603 25834 7322 1 8 . 1 1 130 130 ASP HA H 130 4.672 4.672 4.989 -0.317 25834 7323 1 8 . 1 1 130 130 ASP C C 130 178.291 178.291 176.902 1.389 25834 7324 1 8 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.294 0.472 25834 7325 1 8 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.447 0.616 25834 7326 1 8 . 1 1 130 130 ASP H H 130 9.500 9.500 8.932 0.568 25834 7327 1 8 . 1 1 131 131 LEU N N 131 129.917 129.917 122.029 7.888 25834 7328 1 8 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.319 0.108 25834 7329 1 8 . 1 1 131 131 LEU C C 131 176.172 176.172 177.339 -1.167 25834 7330 1 8 . 1 1 131 131 LEU CA C 131 54.227 54.227 54.746 -0.519 25834 7331 1 8 . 1 1 131 131 LEU CB C 131 39.713 39.713 41.345 -1.632 25834 7332 1 8 . 1 1 131 131 LEU H H 131 8.182 8.182 7.882 0.300 25834 7333 1 8 . 1 1 132 132 GLY N N 132 107.323 107.323 105.119 2.204 25834 7334 1 8 . 1 1 132 132 GLY C C 132 174.507 174.507 174.040 0.467 25834 7335 1 8 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.647 1.624 25834 7336 1 8 . 1 1 132 132 GLY H H 132 8.233 8.233 7.912 0.321 25834 7337 1 8 . 1 1 133 133 SER N N 133 119.398 119.398 114.992 4.406 25834 7338 1 8 . 1 1 133 133 SER HA H 133 4.091 4.091 4.271 -0.180 25834 7339 1 8 . 1 1 133 133 SER C C 133 175.194 175.194 175.607 -0.413 25834 7340 1 8 . 1 1 133 133 SER CA C 133 59.003 59.003 57.906 1.097 25834 7341 1 8 . 1 1 133 133 SER CB C 133 62.766 62.766 63.457 -0.691 25834 7342 1 8 . 1 1 133 133 SER H H 133 9.111 9.111 7.942 1.169 25834 7343 1 8 . 1 1 134 134 THR N N 134 117.002 117.002 122.492 -5.490 25834 7344 1 8 . 1 1 134 134 THR HA H 134 3.917 3.917 4.157 -0.240 25834 7345 1 8 . 1 1 134 134 THR C C 134 176.542 176.542 175.206 1.336 25834 7346 1 8 . 1 1 134 134 THR CA C 134 66.444 66.444 64.188 2.256 25834 7347 1 8 . 1 1 134 134 THR CB C 134 68.876 68.876 69.023 -0.147 25834 7348 1 8 . 1 1 134 134 THR H H 134 7.136 7.136 8.753 -1.617 25834 7349 1 8 . 1 1 135 135 ASN N N 135 114.018 114.018 116.924 -2.906 25834 7350 1 8 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.815 0.079 25834 7351 1 8 . 1 1 135 135 ASN C C 135 175.875 175.875 174.757 1.118 25834 7352 1 8 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.083 -0.404 25834 7353 1 8 . 1 1 135 135 ASN CB C 135 39.207 39.207 40.409 -1.202 25834 7354 1 8 . 1 1 135 135 ASN H H 135 9.243 9.243 7.720 1.523 25834 7355 1 8 . 1 1 136 136 GLY N N 136 106.575 106.575 107.527 -0.952 25834 7356 1 8 . 1 1 136 136 GLY C C 136 174.404 174.404 173.932 0.472 25834 7357 1 8 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.270 1.742 25834 7358 1 8 . 1 1 136 136 GLY H H 136 7.533 7.533 7.991 -0.458 25834 7359 1 8 . 1 1 137 137 VAL N N 137 123.037 123.037 116.032 7.005 25834 7360 1 8 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.478 0.076 25834 7361 1 8 . 1 1 137 137 VAL C C 137 173.367 173.367 174.642 -1.275 25834 7362 1 8 . 1 1 137 137 VAL CA C 137 61.221 61.221 61.018 0.203 25834 7363 1 8 . 1 1 137 137 VAL CB C 137 36.191 36.191 34.015 2.176 25834 7364 1 8 . 1 1 137 137 VAL H H 137 9.270 9.270 8.195 1.075 25834 7365 1 8 . 1 1 138 138 LYS N N 138 123.932 123.932 120.116 3.816 25834 7366 1 8 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.536 0.372 25834 7367 1 8 . 1 1 138 138 LYS C C 138 174.454 174.454 174.571 -0.117 25834 7368 1 8 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.088 -0.568 25834 7369 1 8 . 1 1 138 138 LYS CB C 138 35.859 35.859 35.393 0.466 25834 7370 1 8 . 1 1 138 138 LYS H H 138 8.779 8.779 8.244 0.535 25834 7371 1 8 . 1 1 139 139 LEU N N 139 124.937 124.937 124.894 0.043 25834 7372 1 8 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.647 0.388 25834 7373 1 8 . 1 1 139 139 LEU C C 139 176.335 176.335 176.347 -0.012 25834 7374 1 8 . 1 1 139 139 LEU CA C 139 52.721 52.721 53.774 -1.053 25834 7375 1 8 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.081 1.046 25834 7376 1 8 . 1 1 139 139 LEU H H 139 8.528 8.528 8.350 0.178 25834 7377 1 8 . 1 1 140 140 ASN N N 140 128.375 128.375 124.572 3.803 25834 7378 1 8 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.598 -0.202 25834 7379 1 8 . 1 1 140 140 ASN C C 140 175.256 175.256 174.708 0.548 25834 7380 1 8 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.465 -0.053 25834 7381 1 8 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.962 -1.083 25834 7382 1 8 . 1 1 140 140 ASN H H 140 10.056 10.056 9.044 1.012 25834 7383 1 8 . 1 1 141 141 GLY N N 141 101.602 101.602 104.074 -2.472 25834 7384 1 8 . 1 1 141 141 GLY C C 141 173.265 173.265 173.463 -0.198 25834 7385 1 8 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.201 -0.229 25834 7386 1 8 . 1 1 141 141 GLY H H 141 8.811 8.811 8.623 0.188 25834 7387 1 8 . 1 1 142 142 ASN N N 142 118.060 118.060 118.487 -0.427 25834 7388 1 8 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.954 0.054 25834 7389 1 8 . 1 1 142 142 ASN C C 142 174.106 174.106 174.082 0.024 25834 7390 1 8 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.063 -0.467 25834 7391 1 8 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.413 -0.375 25834 7392 1 8 . 1 1 142 142 ASN H H 142 7.512 7.512 7.783 -0.271 25834 7393 1 8 . 1 1 143 143 ARG N N 143 125.882 125.882 124.261 1.621 25834 7394 1 8 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.304 0.317 25834 7395 1 8 . 1 1 143 143 ARG C C 143 177.077 177.077 175.589 1.488 25834 7396 1 8 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.315 -0.375 25834 7397 1 8 . 1 1 143 143 ARG CB C 143 29.787 29.787 29.988 -0.201 25834 7398 1 8 . 1 1 143 143 ARG H H 143 8.975 8.975 8.615 0.360 25834 7399 1 8 . 1 1 144 144 ILE N N 144 124.442 124.442 118.859 5.583 25834 7400 1 8 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.665 -0.094 25834 7401 1 8 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.963 1.832 25834 7402 1 8 . 1 1 144 144 ILE CB C 144 39.273 39.273 40.167 -0.894 25834 7403 1 8 . 1 1 144 144 ILE H H 144 6.907 6.907 8.104 -1.197 25834 7404 1 8 . 1 1 145 145 GLU N N 145 122.815 122.815 120.189 2.626 25834 7405 1 8 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.312 -0.108 25834 7406 1 8 . 1 1 145 145 GLU C C 145 176.123 176.123 175.952 0.171 25834 7407 1 8 . 1 1 145 145 GLU CA C 145 56.335 56.335 56.633 -0.298 25834 7408 1 8 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.499 0.093 25834 7409 1 8 . 1 1 145 145 GLU H H 145 8.628 8.628 8.474 0.154 25834 7410 1 8 . 1 1 146 146 LYS N N 146 122.367 122.367 116.268 6.099 25834 7411 1 8 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.979 -0.863 25834 7412 1 8 . 1 1 146 146 LYS C C 146 175.811 175.811 176.358 -0.547 25834 7413 1 8 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.229 3.726 25834 7414 1 8 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.731 -1.169 25834 7415 1 8 . 1 1 146 146 LYS H H 146 8.755 8.755 8.074 0.681 25834 7416 1 8 . 1 1 147 147 ARG N N 147 115.303 115.303 119.134 -3.831 25834 7417 1 8 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.112 -0.455 25834 7418 1 8 . 1 1 147 147 ARG C C 147 174.121 174.121 174.754 -0.633 25834 7419 1 8 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.417 1.055 25834 7420 1 8 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.159 -0.766 25834 7421 1 8 . 1 1 147 147 ARG H H 147 9.124 9.124 8.225 0.899 25834 7422 1 8 . 1 1 148 148 ARG N N 148 118.994 118.994 114.903 4.091 25834 7423 1 8 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.742 0.220 25834 7424 1 8 . 1 1 148 148 ARG C C 148 173.769 173.769 173.238 0.531 25834 7425 1 8 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.597 -0.111 25834 7426 1 8 . 1 1 148 148 ARG CB C 148 32.396 32.396 31.280 1.116 25834 7427 1 8 . 1 1 148 148 ARG H H 148 8.133 8.133 7.733 0.400 25834 7428 1 8 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.540 0.098 25834 7429 1 8 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.157 -0.517 25834 7430 1 8 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.616 0.184 25834 7431 1 8 . 1 1 150 150 LEU N N 150 129.239 129.239 125.598 3.641 25834 7432 1 8 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.819 0.157 25834 7433 1 8 . 1 1 150 150 LEU C C 150 173.433 173.433 175.282 -1.849 25834 7434 1 8 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.569 -0.214 25834 7435 1 8 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.140 2.113 25834 7436 1 8 . 1 1 150 150 LEU H H 150 8.850 8.850 7.920 0.930 25834 7437 1 8 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.581 -0.250 25834 7438 1 8 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.218 1.983 25834 7439 1 8 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.611 1.062 25834 7440 1 8 . 1 1 152 152 ALA N N 152 123.538 123.538 127.811 -4.273 25834 7441 1 8 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.841 0.042 25834 7442 1 8 . 1 1 152 152 ALA C C 152 172.551 172.551 175.763 -3.212 25834 7443 1 8 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.241 -1.124 25834 7444 1 8 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.393 -1.291 25834 7445 1 8 . 1 1 152 152 ALA H H 152 8.741 8.741 8.770 -0.029 25834 7446 1 8 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.516 0.121 25834 7447 1 8 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.197 -0.117 25834 7448 1 8 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.568 0.762 25834 7449 1 8 . 1 1 154 154 VAL N N 154 121.024 121.024 115.847 5.177 25834 7450 1 8 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.691 -0.367 25834 7451 1 8 . 1 1 154 154 VAL C C 154 176.371 176.371 176.448 -0.077 25834 7452 1 8 . 1 1 154 154 VAL CA C 154 65.636 65.636 62.956 2.680 25834 7453 1 8 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.955 -0.442 25834 7454 1 8 . 1 1 154 154 VAL H H 154 8.653 8.653 8.281 0.372 25834 7455 1 8 . 1 1 155 155 GLY N N 155 116.464 116.464 113.348 3.116 25834 7456 1 8 . 1 1 155 155 GLY C C 155 174.707 174.707 174.544 0.163 25834 7457 1 8 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.537 -1.228 25834 7458 1 8 . 1 1 155 155 GLY H H 155 9.242 9.242 8.613 0.629 25834 7459 1 8 . 1 1 156 156 SER N N 156 117.176 117.176 115.659 1.517 25834 7460 1 8 . 1 1 156 156 SER HA H 156 4.684 4.684 4.612 0.072 25834 7461 1 8 . 1 1 156 156 SER C C 156 172.437 172.437 172.996 -0.559 25834 7462 1 8 . 1 1 156 156 SER CA C 156 60.271 60.271 57.710 2.561 25834 7463 1 8 . 1 1 156 156 SER CB C 156 64.119 64.119 65.060 -0.941 25834 7464 1 8 . 1 1 156 156 SER H H 156 8.166 8.166 7.644 0.522 25834 7465 1 8 . 1 1 157 157 SER N N 157 117.025 117.025 114.317 2.708 25834 7466 1 8 . 1 1 157 157 SER HA H 157 5.334 5.334 5.312 0.022 25834 7467 1 8 . 1 1 157 157 SER C C 157 173.729 173.729 173.186 0.543 25834 7468 1 8 . 1 1 157 157 SER CA C 157 56.737 56.737 57.269 -0.532 25834 7469 1 8 . 1 1 157 157 SER CB C 157 65.445 65.445 66.055 -0.610 25834 7470 1 8 . 1 1 157 157 SER H H 157 8.371 8.371 8.326 0.045 25834 7471 1 8 . 1 1 158 158 ILE N N 158 126.089 126.089 118.675 7.414 25834 7472 1 8 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.541 0.278 25834 7473 1 8 . 1 1 158 158 ILE C C 158 174.471 174.471 174.211 0.260 25834 7474 1 8 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.364 -0.315 25834 7475 1 8 . 1 1 158 158 ILE CB C 158 42.434 42.434 42.256 0.178 25834 7476 1 8 . 1 1 158 158 ILE H H 158 9.601 9.601 8.458 1.143 25834 7477 1 8 . 1 1 159 159 GLN N N 159 123.323 123.323 120.585 2.738 25834 7478 1 8 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.931 -0.369 25834 7479 1 8 . 1 1 159 159 GLN C C 159 174.219 174.219 174.106 0.113 25834 7480 1 8 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.542 0.562 25834 7481 1 8 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.329 0.298 25834 7482 1 8 . 1 1 159 159 GLN H H 159 8.290 8.290 8.578 -0.288 25834 7483 1 8 . 1 1 160 160 PHE N N 160 124.084 124.084 119.446 4.638 25834 7484 1 8 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.933 -0.369 25834 7485 1 8 . 1 1 160 160 PHE C C 160 174.368 174.368 174.253 0.115 25834 7486 1 8 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.596 -0.181 25834 7487 1 8 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.621 -0.944 25834 7488 1 8 . 1 1 160 160 PHE H H 160 9.622 9.622 8.998 0.624 25834 7489 1 8 . 1 1 161 161 GLY N N 161 108.516 108.516 112.380 -3.864 25834 7490 1 8 . 1 1 161 161 GLY C C 161 173.064 173.064 173.151 -0.087 25834 7491 1 8 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.278 0.894 25834 7492 1 8 . 1 1 161 161 GLY H H 161 8.409 8.409 8.029 0.380 25834 7493 1 8 . 1 1 162 162 PHE N N 162 123.240 123.240 120.652 2.588 25834 7494 1 8 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.621 0.320 25834 7495 1 8 . 1 1 162 162 PHE C C 162 175.982 175.982 175.559 0.423 25834 7496 1 8 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.973 -2.912 25834 7497 1 8 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.265 -1.174 25834 7498 1 8 . 1 1 162 162 PHE H H 162 8.848 8.848 7.947 0.901 25834 7499 1 8 . 1 1 163 163 SER N N 163 113.673 113.673 114.878 -1.205 25834 7500 1 8 . 1 1 163 163 SER HA H 163 4.001 4.001 3.589 0.412 25834 7501 1 8 . 1 1 163 163 SER C C 163 176.303 176.303 174.773 1.530 25834 7502 1 8 . 1 1 163 163 SER CA C 163 58.004 58.004 59.366 -1.362 25834 7503 1 8 . 1 1 163 163 SER CB C 163 62.297 62.297 63.358 -1.060 25834 7504 1 8 . 1 1 163 163 SER H H 163 7.071 7.071 6.754 0.317 25834 7505 1 8 . 1 1 164 164 SER N N 164 126.213 126.213 116.734 9.479 25834 7506 1 8 . 1 1 164 164 SER HA H 164 4.188 4.188 4.218 -0.030 25834 7507 1 8 . 1 1 164 164 SER C C 164 174.499 174.499 174.942 -0.443 25834 7508 1 8 . 1 1 164 164 SER CA C 164 59.606 59.606 59.156 0.450 25834 7509 1 8 . 1 1 164 164 SER CB C 164 63.841 63.841 63.484 0.357 25834 7510 1 8 . 1 1 164 164 SER H H 164 9.901 9.901 8.720 1.181 25834 7511 1 8 . 1 1 165 165 ARG N N 165 122.909 122.909 121.184 1.725 25834 7512 1 8 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.356 -0.136 25834 7513 1 8 . 1 1 165 165 ARG C C 165 175.560 175.560 175.149 0.411 25834 7514 1 8 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.740 0.709 25834 7515 1 8 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.602 0.389 25834 7516 1 8 . 1 1 165 165 ARG H H 165 8.096 8.096 7.758 0.338 25834 7517 1 8 . 1 1 166 166 VAL N N 166 123.934 123.934 119.015 4.919 25834 7518 1 8 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.170 -0.012 25834 7519 1 8 . 1 1 166 166 VAL C C 166 174.398 174.398 174.246 0.152 25834 7520 1 8 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.572 1.471 25834 7521 1 8 . 1 1 166 166 VAL CB C 166 33.399 33.399 34.946 -1.547 25834 7522 1 8 . 1 1 166 166 VAL H H 166 8.756 8.756 7.804 0.952 25834 7523 1 8 . 1 1 167 167 TYR N N 167 126.353 126.353 125.171 1.182 25834 7524 1 8 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.074 0.128 25834 7525 1 8 . 1 1 167 167 TYR C C 167 174.823 174.823 175.192 -0.369 25834 7526 1 8 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.400 -0.497 25834 7527 1 8 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.358 1.498 25834 7528 1 8 . 1 1 167 167 TYR H H 167 8.637 8.637 8.330 0.307 25834 7529 1 8 . 1 1 168 168 LYS N N 168 123.312 123.312 125.089 -1.777 25834 7530 1 8 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.864 0.622 25834 7531 1 8 . 1 1 168 168 LYS C C 168 176.634 176.634 175.722 0.912 25834 7532 1 8 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.352 -0.440 25834 7533 1 8 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.099 2.803 25834 7534 1 8 . 1 1 168 168 LYS H H 168 9.005 9.005 8.753 0.252 25834 7535 1 8 . 1 1 169 169 VAL N N 169 125.863 125.863 126.890 -1.027 25834 7536 1 8 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.385 -0.567 25834 7537 1 8 . 1 1 169 169 VAL C C 169 175.804 175.804 175.578 0.226 25834 7538 1 8 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.484 1.371 25834 7539 1 8 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.515 -1.578 25834 7540 1 8 . 1 1 169 169 VAL H H 169 8.305 8.305 8.478 -0.173 25834 7541 1 8 . 1 1 170 170 GLN N N 170 129.871 129.871 123.264 6.607 25834 7542 1 8 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.513 0.354 25834 7543 1 8 . 1 1 170 170 GLN C C 170 174.293 174.293 173.047 1.246 25834 7544 1 8 . 1 1 170 170 GLN CA C 170 53.818 53.818 54.832 -1.014 25834 7545 1 8 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.099 -0.419 25834 7546 1 8 . 1 1 170 170 GLN H H 170 9.124 9.124 7.982 1.142 25834 7547 1 8 . 1 1 171 171 LEU N N 171 122.168 122.168 124.572 -2.404 25834 7548 1 8 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.539 -0.047 25834 7549 1 8 . 1 1 171 171 LEU C C 171 177.672 177.672 176.748 0.924 25834 7550 1 8 . 1 1 171 171 LEU CA C 171 55.951 55.951 54.508 1.443 25834 7551 1 8 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.463 0.560 25834 7552 1 8 . 1 1 171 171 LEU H H 171 8.569 8.569 8.344 0.225 25834 7553 1 8 . 1 1 172 172 GLY N N 172 111.174 111.174 114.132 -2.958 25834 7554 1 8 . 1 1 172 172 GLY C C 172 171.895 171.895 173.421 -1.526 25834 7555 1 8 . 1 1 172 172 GLY CA C 172 44.179 44.179 44.380 -0.202 25834 7556 1 8 . 1 1 172 172 GLY H H 172 8.588 8.588 8.300 0.288 25834 7557 1 8 . 1 1 175 175 SER N N 175 115.756 115.756 116.512 -0.756 25834 7558 1 8 . 1 1 175 175 SER HA H 175 4.274 4.274 4.538 -0.264 25834 7559 1 8 . 1 1 175 175 SER C C 175 174.314 174.314 173.620 0.694 25834 7560 1 8 . 1 1 175 175 SER CA C 175 57.998 57.998 56.556 1.442 25834 7561 1 8 . 1 1 175 175 SER CB C 175 63.886 63.886 61.518 2.368 25834 7562 1 8 . 1 1 175 175 SER H H 175 7.661 7.661 8.025 -0.364 25834 7563 1 8 . 1 1 176 176 SER N N 176 117.882 117.882 117.284 0.598 25834 7564 1 8 . 1 1 176 176 SER HA H 176 4.698 4.698 4.433 0.265 25834 7565 1 8 . 1 1 176 176 SER C C 176 173.521 173.521 173.834 -0.313 25834 7566 1 8 . 1 1 176 176 SER CA C 176 58.601 58.601 58.904 -0.303 25834 7567 1 8 . 1 1 176 176 SER CB C 176 64.242 64.242 63.865 0.377 25834 7568 1 8 . 1 1 176 176 SER H H 176 8.265 8.265 7.588 0.677 25834 7569 1 9 . 1 1 1 1 MET N N 1 121.215 121.215 121.390 -0.175 25834 7570 1 9 . 1 1 1 1 MET HA H 1 4.416 4.416 4.600 -0.184 25834 7571 1 9 . 1 1 1 1 MET C C 1 176.061 176.061 174.240 1.821 25834 7572 1 9 . 1 1 1 1 MET CA C 1 55.827 55.827 54.658 1.169 25834 7573 1 9 . 1 1 1 1 MET CB C 1 32.869 32.869 34.581 -1.712 25834 7574 1 9 . 1 1 1 1 MET H H 1 8.477 8.477 8.246 0.231 25834 7575 1 9 . 1 1 2 2 VAL N N 2 122.483 122.483 122.903 -0.420 25834 7576 1 9 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.201 -0.034 25834 7577 1 9 . 1 1 2 2 VAL C C 2 176.225 176.225 175.585 0.640 25834 7578 1 9 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.807 -0.651 25834 7579 1 9 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.140 0.715 25834 7580 1 9 . 1 1 2 2 VAL H H 2 8.213 8.213 8.413 -0.200 25834 7581 1 9 . 1 1 3 3 THR N N 3 117.952 117.952 117.309 0.643 25834 7582 1 9 . 1 1 3 3 THR HA H 3 4.353 4.353 4.645 -0.292 25834 7583 1 9 . 1 1 3 3 THR C C 3 174.614 174.614 173.281 1.333 25834 7584 1 9 . 1 1 3 3 THR CA C 3 61.571 61.571 61.814 -0.243 25834 7585 1 9 . 1 1 3 3 THR CB C 3 69.948 69.948 68.968 0.980 25834 7586 1 9 . 1 1 3 3 THR H H 3 8.228 8.228 8.276 -0.048 25834 7587 1 9 . 1 1 4 4 SER N N 4 118.076 118.076 120.434 -2.358 25834 7588 1 9 . 1 1 4 4 SER HA H 4 4.490 4.490 4.758 -0.268 25834 7589 1 9 . 1 1 4 4 SER C C 4 174.867 174.867 174.298 0.569 25834 7590 1 9 . 1 1 4 4 SER CA C 4 58.451 58.451 57.755 0.696 25834 7591 1 9 . 1 1 4 4 SER CB C 4 63.853 63.853 64.782 -0.929 25834 7592 1 9 . 1 1 4 4 SER H H 4 8.350 8.350 8.248 0.102 25834 7593 1 9 . 1 1 5 5 THR N N 5 115.176 115.176 117.969 -2.793 25834 7594 1 9 . 1 1 5 5 THR HA H 5 4.277 4.277 4.404 -0.127 25834 7595 1 9 . 1 1 5 5 THR C C 5 175.173 175.173 175.506 -0.333 25834 7596 1 9 . 1 1 5 5 THR CA C 5 62.114 62.114 62.100 0.014 25834 7597 1 9 . 1 1 5 5 THR CB C 5 69.702 69.702 69.333 0.369 25834 7598 1 9 . 1 1 5 5 THR H H 5 8.125 8.125 8.693 -0.568 25834 7599 1 9 . 1 1 6 6 GLY N N 6 110.725 110.725 111.058 -0.333 25834 7600 1 9 . 1 1 6 6 GLY C C 6 173.939 173.939 174.682 -0.743 25834 7601 1 9 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.048 0.205 25834 7602 1 9 . 1 1 6 6 GLY H H 6 8.289 8.289 8.038 0.251 25834 7603 1 9 . 1 1 7 7 LEU N N 7 121.627 121.627 119.906 1.721 25834 7604 1 9 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.177 0.069 25834 7605 1 9 . 1 1 7 7 LEU C C 7 177.317 177.317 175.983 1.334 25834 7606 1 9 . 1 1 7 7 LEU CA C 7 55.509 55.509 55.821 -0.312 25834 7607 1 9 . 1 1 7 7 LEU CB C 7 42.507 42.507 42.795 -0.288 25834 7608 1 9 . 1 1 7 7 LEU H H 7 7.984 7.984 7.641 0.343 25834 7609 1 9 . 1 1 8 8 LEU N N 8 122.317 122.317 124.640 -2.323 25834 7610 1 9 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.743 -0.439 25834 7611 1 9 . 1 1 8 8 LEU CA C 8 55.289 55.289 53.982 1.307 25834 7612 1 9 . 1 1 8 8 LEU CB C 8 42.314 42.314 44.090 -1.776 25834 7613 1 9 . 1 1 8 8 LEU H H 8 8.163 8.163 8.110 0.053 25834 7614 1 9 . 1 1 9 9 SER N N 9 116.218 116.218 115.897 0.321 25834 7615 1 9 . 1 1 9 9 SER HA H 9 4.315 4.315 4.436 -0.121 25834 7616 1 9 . 1 1 9 9 SER CA C 9 58.253 58.253 58.541 -0.288 25834 7617 1 9 . 1 1 9 9 SER CB C 9 63.786 63.786 63.613 0.173 25834 7618 1 9 . 1 1 9 9 SER H H 9 8.088 8.088 8.253 -0.165 25834 7619 1 9 . 1 1 10 10 ARG N N 10 122.939 122.939 120.078 2.861 25834 7620 1 9 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.548 -0.243 25834 7621 1 9 . 1 1 10 10 ARG C C 10 177.734 177.734 176.024 1.710 25834 7622 1 9 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.377 0.912 25834 7623 1 9 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.108 -0.517 25834 7624 1 9 . 1 1 10 10 ARG H H 10 8.211 8.211 8.221 -0.010 25834 7625 1 9 . 1 1 11 11 VAL N N 11 120.980 120.980 121.554 -0.574 25834 7626 1 9 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.017 -0.012 25834 7627 1 9 . 1 1 11 11 VAL C C 11 175.793 175.793 177.090 -1.297 25834 7628 1 9 . 1 1 11 11 VAL CA C 11 62.353 62.353 62.222 0.131 25834 7629 1 9 . 1 1 11 11 VAL CB C 11 32.668 32.668 32.198 0.470 25834 7630 1 9 . 1 1 11 11 VAL H H 11 8.006 8.006 8.441 -0.435 25834 7631 1 9 . 1 1 12 12 ALA N N 12 127.736 127.736 127.660 0.076 25834 7632 1 9 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.174 0.058 25834 7633 1 9 . 1 1 12 12 ALA C C 12 177.174 177.174 177.118 0.056 25834 7634 1 9 . 1 1 12 12 ALA CA C 12 52.429 52.429 52.304 0.125 25834 7635 1 9 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.288 -0.061 25834 7636 1 9 . 1 1 12 12 ALA H H 12 8.246 8.246 8.183 0.063 25834 7637 1 9 . 1 1 13 13 ALA N N 13 123.061 123.061 123.574 -0.513 25834 7638 1 9 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.389 -0.152 25834 7639 1 9 . 1 1 13 13 ALA C C 13 177.800 177.800 176.861 0.939 25834 7640 1 9 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.543 0.902 25834 7641 1 9 . 1 1 13 13 ALA CB C 13 19.115 19.115 19.771 -0.656 25834 7642 1 9 . 1 1 13 13 ALA H H 13 8.158 8.158 8.245 -0.087 25834 7643 1 9 . 1 1 14 14 VAL N N 14 119.391 119.391 120.750 -1.359 25834 7644 1 9 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.430 -0.430 25834 7645 1 9 . 1 1 14 14 VAL C C 14 176.284 176.284 174.726 1.558 25834 7646 1 9 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.259 0.078 25834 7647 1 9 . 1 1 14 14 VAL CB C 14 32.739 32.739 31.542 1.197 25834 7648 1 9 . 1 1 14 14 VAL H H 14 7.988 7.988 8.275 -0.287 25834 7649 1 9 . 1 1 15 15 GLU N N 15 124.744 124.744 125.718 -0.974 25834 7650 1 9 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.541 -0.341 25834 7651 1 9 . 1 1 15 15 GLU C C 15 176.542 176.542 175.026 1.516 25834 7652 1 9 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.394 1.147 25834 7653 1 9 . 1 1 15 15 GLU CB C 15 30.528 30.528 31.169 -0.641 25834 7654 1 9 . 1 1 15 15 GLU H H 15 8.369 8.369 8.711 -0.342 25834 7655 1 9 . 1 1 16 16 LYS N N 16 122.786 122.786 120.525 2.261 25834 7656 1 9 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.189 0.008 25834 7657 1 9 . 1 1 16 16 LYS C C 16 176.218 176.218 175.080 1.138 25834 7658 1 9 . 1 1 16 16 LYS CA C 16 56.253 56.253 57.088 -0.835 25834 7659 1 9 . 1 1 16 16 LYS CB C 16 32.898 32.898 32.758 0.140 25834 7660 1 9 . 1 1 16 16 LYS H H 16 8.264 8.264 8.552 -0.288 25834 7661 1 9 . 1 1 17 17 ALA N N 17 125.458 125.458 122.803 2.655 25834 7662 1 9 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.477 -0.293 25834 7663 1 9 . 1 1 17 17 ALA C C 17 177.579 177.579 175.942 1.637 25834 7664 1 9 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.441 1.075 25834 7665 1 9 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.931 -1.826 25834 7666 1 9 . 1 1 17 17 ALA H H 17 8.226 8.226 8.157 0.069 25834 7667 1 9 . 1 1 18 18 ALA N N 18 123.616 123.616 121.375 2.241 25834 7668 1 9 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.266 -0.042 25834 7669 1 9 . 1 1 18 18 ALA CA C 18 52.520 52.520 52.116 0.404 25834 7670 1 9 . 1 1 18 18 ALA CB C 18 19.127 19.127 19.242 -0.115 25834 7671 1 9 . 1 1 18 18 ALA H H 18 8.153 8.153 8.103 0.050 25834 7672 1 9 . 1 1 19 19 GLU N N 19 120.282 120.282 120.135 0.147 25834 7673 1 9 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.086 0.113 25834 7674 1 9 . 1 1 19 19 GLU CA C 19 56.370 56.370 56.474 -0.104 25834 7675 1 9 . 1 1 19 19 GLU CB C 19 30.637 30.637 28.326 2.311 25834 7676 1 9 . 1 1 19 19 GLU H H 19 8.209 8.209 8.490 -0.281 25834 7677 1 9 . 1 1 20 20 ILE N N 20 122.046 122.046 124.787 -2.741 25834 7678 1 9 . 1 1 20 20 ILE HA H 20 4.060 4.060 3.896 0.164 25834 7679 1 9 . 1 1 20 20 ILE C C 20 175.806 175.806 176.376 -0.570 25834 7680 1 9 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.568 -0.588 25834 7681 1 9 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.481 0.209 25834 7682 1 9 . 1 1 20 20 ILE H H 20 8.038 8.038 7.966 0.072 25834 7683 1 9 . 1 1 21 21 ALA N N 21 128.175 128.175 130.062 -1.887 25834 7684 1 9 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.261 -0.076 25834 7685 1 9 . 1 1 21 21 ALA C C 21 175.942 175.942 177.384 -1.442 25834 7686 1 9 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.641 0.806 25834 7687 1 9 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.477 -0.180 25834 7688 1 9 . 1 1 21 21 ALA H H 21 8.224 8.224 8.051 0.173 25834 7689 1 9 . 1 1 22 22 LYS N N 22 120.107 120.107 121.557 -1.450 25834 7690 1 9 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.215 0.012 25834 7691 1 9 . 1 1 22 22 LYS C C 22 174.303 174.303 175.394 -1.091 25834 7692 1 9 . 1 1 22 22 LYS CA C 22 53.397 53.397 55.699 -2.302 25834 7693 1 9 . 1 1 22 22 LYS CB C 22 34.459 34.459 31.736 2.723 25834 7694 1 9 . 1 1 22 22 LYS H H 22 7.903 7.903 8.317 -0.414 25834 7695 1 9 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.485 -0.142 25834 7696 1 9 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.605 0.088 25834 7697 1 9 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.539 -0.479 25834 7698 1 9 . 1 1 27 27 LYS N N 27 121.752 121.752 119.255 2.497 25834 7699 1 9 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.556 -0.342 25834 7700 1 9 . 1 1 27 27 LYS C C 27 176.450 176.450 176.824 -0.374 25834 7701 1 9 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.349 0.860 25834 7702 1 9 . 1 1 27 27 LYS CB C 27 32.935 32.935 33.148 -0.213 25834 7703 1 9 . 1 1 27 27 LYS H H 27 8.253 8.253 8.278 -0.025 25834 7704 1 9 . 1 1 28 28 VAL N N 28 123.000 123.000 119.327 3.673 25834 7705 1 9 . 1 1 28 28 VAL HA H 28 4.004 4.004 3.920 0.084 25834 7706 1 9 . 1 1 28 28 VAL C C 28 175.672 175.672 176.158 -0.486 25834 7707 1 9 . 1 1 28 28 VAL CA C 28 62.268 62.268 62.324 -0.056 25834 7708 1 9 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.285 0.598 25834 7709 1 9 . 1 1 28 28 VAL H H 28 8.128 8.128 8.095 0.033 25834 7710 1 9 . 1 1 29 29 VAL N N 29 126.899 126.899 124.622 2.277 25834 7711 1 9 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.219 -0.348 25834 7712 1 9 . 1 1 29 29 VAL C C 29 174.835 174.835 176.566 -1.731 25834 7713 1 9 . 1 1 29 29 VAL CA C 29 62.288 62.288 61.489 0.799 25834 7714 1 9 . 1 1 29 29 VAL CB C 29 32.811 32.811 32.388 0.423 25834 7715 1 9 . 1 1 29 29 VAL H H 29 8.144 8.144 8.181 -0.037 25834 7716 1 9 . 1 1 30 30 GLU N N 30 125.745 125.745 122.902 2.843 25834 7717 1 9 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.198 -0.011 25834 7718 1 9 . 1 1 30 30 GLU C C 30 177.203 177.203 176.656 0.547 25834 7719 1 9 . 1 1 30 30 GLU CA C 30 55.688 55.688 56.665 -0.977 25834 7720 1 9 . 1 1 30 30 GLU CB C 30 30.501 30.501 30.239 0.262 25834 7721 1 9 . 1 1 30 30 GLU H H 30 8.239 8.239 8.428 -0.189 25834 7722 1 9 . 1 1 31 31 LEU N N 31 125.229 125.229 121.011 4.218 25834 7723 1 9 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.184 0.643 25834 7724 1 9 . 1 1 31 31 LEU C C 31 178.237 178.237 177.088 1.149 25834 7725 1 9 . 1 1 31 31 LEU CA C 31 54.633 54.633 55.051 -0.418 25834 7726 1 9 . 1 1 31 31 LEU CB C 31 43.356 43.356 41.904 1.452 25834 7727 1 9 . 1 1 31 31 LEU H H 31 8.513 8.513 8.246 0.267 25834 7728 1 9 . 1 1 32 32 THR N N 32 113.162 113.162 111.135 2.027 25834 7729 1 9 . 1 1 32 32 THR HA H 32 4.184 4.184 4.186 -0.002 25834 7730 1 9 . 1 1 32 32 THR C C 32 174.923 174.923 175.627 -0.704 25834 7731 1 9 . 1 1 32 32 THR CA C 32 61.002 61.002 62.001 -0.999 25834 7732 1 9 . 1 1 32 32 THR CB C 32 70.848 70.848 69.484 1.364 25834 7733 1 9 . 1 1 32 32 THR H H 32 8.444 8.444 8.058 0.386 25834 7734 1 9 . 1 1 33 33 GLU N N 33 119.849 119.849 121.990 -2.141 25834 7735 1 9 . 1 1 33 33 GLU HA H 33 3.756 3.756 3.940 -0.184 25834 7736 1 9 . 1 1 33 33 GLU C C 33 178.906 178.906 179.022 -0.116 25834 7737 1 9 . 1 1 33 33 GLU CA C 33 59.855 59.855 60.609 -0.754 25834 7738 1 9 . 1 1 33 33 GLU CB C 33 28.903 28.903 28.959 -0.056 25834 7739 1 9 . 1 1 33 33 GLU H H 33 8.614 8.614 8.836 -0.222 25834 7740 1 9 . 1 1 34 34 ALA N N 34 118.382 118.382 121.105 -2.723 25834 7741 1 9 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.135 -0.165 25834 7742 1 9 . 1 1 34 34 ALA C C 34 180.554 180.554 178.834 1.720 25834 7743 1 9 . 1 1 34 34 ALA CA C 34 54.583 54.583 54.491 0.092 25834 7744 1 9 . 1 1 34 34 ALA CB C 34 18.776 18.776 17.843 0.933 25834 7745 1 9 . 1 1 34 34 ALA H H 34 8.102 8.102 8.305 -0.203 25834 7746 1 9 . 1 1 35 35 ALA N N 35 121.658 121.658 119.707 1.951 25834 7747 1 9 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.307 -0.462 25834 7748 1 9 . 1 1 35 35 ALA C C 35 178.231 178.231 179.279 -1.048 25834 7749 1 9 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.173 0.333 25834 7750 1 9 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.512 0.633 25834 7751 1 9 . 1 1 35 35 ALA H H 35 7.456 7.456 7.847 -0.391 25834 7752 1 9 . 1 1 36 36 LYS N N 36 114.479 114.479 117.793 -3.314 25834 7753 1 9 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.281 -0.425 25834 7754 1 9 . 1 1 36 36 LYS C C 36 176.884 176.884 177.292 -0.408 25834 7755 1 9 . 1 1 36 36 LYS CA C 36 58.800 58.800 57.718 1.081 25834 7756 1 9 . 1 1 36 36 LYS CB C 36 32.820 32.820 33.197 -0.377 25834 7757 1 9 . 1 1 36 36 LYS H H 36 7.897 7.897 7.957 -0.060 25834 7758 1 9 . 1 1 37 37 GLN N N 37 114.203 114.203 117.874 -3.671 25834 7759 1 9 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.523 -0.323 25834 7760 1 9 . 1 1 37 37 GLN C C 37 176.478 176.478 174.905 1.573 25834 7761 1 9 . 1 1 37 37 GLN CA C 37 55.119 55.119 54.346 0.773 25834 7762 1 9 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.844 -0.461 25834 7763 1 9 . 1 1 37 37 GLN H H 37 6.970 6.970 8.016 -1.046 25834 7764 1 9 . 1 1 38 38 LEU N N 38 120.478 120.478 117.186 3.292 25834 7765 1 9 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.264 -0.419 25834 7766 1 9 . 1 1 38 38 LEU C C 38 171.820 171.820 175.982 -4.162 25834 7767 1 9 . 1 1 38 38 LEU CA C 38 53.862 53.862 53.928 -0.066 25834 7768 1 9 . 1 1 38 38 LEU CB C 38 40.017 40.017 40.298 -0.282 25834 7769 1 9 . 1 1 38 38 LEU H H 38 7.155 7.155 7.502 -0.347 25834 7770 1 9 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.387 -0.062 25834 7771 1 9 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.626 0.324 25834 7772 1 9 . 1 1 39 39 PRO CB C 39 32.082 32.082 30.841 1.241 25834 7773 1 9 . 1 1 40 40 GLN N N 40 125.695 125.695 122.912 2.783 25834 7774 1 9 . 1 1 40 40 GLN HA H 40 3.784 3.784 3.968 -0.184 25834 7775 1 9 . 1 1 40 40 GLN C C 40 177.994 177.994 177.355 0.639 25834 7776 1 9 . 1 1 40 40 GLN CA C 40 59.489 59.489 56.447 3.042 25834 7777 1 9 . 1 1 40 40 GLN CB C 40 28.127 28.127 28.296 -0.169 25834 7778 1 9 . 1 1 40 40 GLN H H 40 9.245 9.245 7.898 1.347 25834 7779 1 9 . 1 1 41 41 HIS N N 41 125.870 125.870 118.347 7.523 25834 7780 1 9 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.076 0.453 25834 7781 1 9 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.269 -0.861 25834 7782 1 9 . 1 1 41 41 HIS CB C 41 29.389 29.389 28.636 0.753 25834 7783 1 9 . 1 1 41 41 HIS H H 41 11.289 11.289 8.651 2.638 25834 7784 1 9 . 1 1 42 42 ILE N N 42 119.609 119.609 115.129 4.480 25834 7785 1 9 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.649 0.218 25834 7786 1 9 . 1 1 42 42 ILE C C 42 178.715 178.715 177.481 1.234 25834 7787 1 9 . 1 1 42 42 ILE CA C 42 60.123 60.123 64.064 -3.941 25834 7788 1 9 . 1 1 42 42 ILE CB C 42 35.548 35.548 36.994 -1.446 25834 7789 1 9 . 1 1 42 42 ILE H H 42 6.700 6.700 7.203 -0.503 25834 7790 1 9 . 1 1 43 43 ILE N N 43 122.532 122.532 119.873 2.659 25834 7791 1 9 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.906 -0.407 25834 7792 1 9 . 1 1 43 43 ILE C C 43 178.325 178.325 177.977 0.348 25834 7793 1 9 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.093 2.444 25834 7794 1 9 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.772 0.466 25834 7795 1 9 . 1 1 43 43 ILE H H 43 7.673 7.673 7.549 0.124 25834 7796 1 9 . 1 1 44 44 GLY N N 44 101.559 101.559 107.581 -6.022 25834 7797 1 9 . 1 1 44 44 GLY C C 44 174.914 174.914 175.277 -0.363 25834 7798 1 9 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.979 -0.616 25834 7799 1 9 . 1 1 44 44 GLY H H 44 7.938 7.938 8.142 -0.204 25834 7800 1 9 . 1 1 45 45 VAL N N 45 106.862 106.862 119.477 -12.615 25834 7801 1 9 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.440 0.318 25834 7802 1 9 . 1 1 45 45 VAL C C 45 175.397 175.397 175.884 -0.487 25834 7803 1 9 . 1 1 45 45 VAL CA C 45 60.531 60.531 61.861 -1.330 25834 7804 1 9 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.939 0.085 25834 7805 1 9 . 1 1 45 45 VAL H H 45 6.843 6.843 7.366 -0.523 25834 7806 1 9 . 1 1 46 46 THR N N 46 117.226 117.226 115.431 1.795 25834 7807 1 9 . 1 1 46 46 THR HA H 46 4.447 4.447 4.178 0.269 25834 7808 1 9 . 1 1 46 46 THR C C 46 172.087 172.087 174.554 -2.467 25834 7809 1 9 . 1 1 46 46 THR CA C 46 62.571 62.571 63.015 -0.444 25834 7810 1 9 . 1 1 46 46 THR CB C 46 68.863 68.863 69.302 -0.438 25834 7811 1 9 . 1 1 46 46 THR H H 46 7.093 7.093 7.370 -0.277 25834 7812 1 9 . 1 1 47 47 ASP N N 47 127.436 127.436 122.459 4.977 25834 7813 1 9 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.701 -0.084 25834 7814 1 9 . 1 1 47 47 ASP C C 47 174.684 174.684 176.824 -2.140 25834 7815 1 9 . 1 1 47 47 ASP CA C 47 52.604 52.604 53.847 -1.243 25834 7816 1 9 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.267 1.470 25834 7817 1 9 . 1 1 47 47 ASP H H 47 7.612 7.612 8.545 -0.933 25834 7818 1 9 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.367 -0.378 25834 7819 1 9 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.300 -0.272 25834 7820 1 9 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.122 0.158 25834 7821 1 9 . 1 1 49 49 THR N N 49 114.121 114.121 112.208 1.913 25834 7822 1 9 . 1 1 49 49 THR HA H 49 4.189 4.189 4.323 -0.134 25834 7823 1 9 . 1 1 49 49 THR C C 49 177.000 177.000 176.266 0.734 25834 7824 1 9 . 1 1 49 49 THR CA C 49 66.844 66.844 65.346 1.498 25834 7825 1 9 . 1 1 49 49 THR CB C 49 67.824 67.824 69.025 -1.201 25834 7826 1 9 . 1 1 49 49 THR H H 49 7.942 7.942 8.412 -0.470 25834 7827 1 9 . 1 1 50 50 LYS N N 50 123.787 123.787 122.534 1.253 25834 7828 1 9 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.341 -0.424 25834 7829 1 9 . 1 1 50 50 LYS C C 50 177.547 177.547 178.745 -1.198 25834 7830 1 9 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.482 0.250 25834 7831 1 9 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.060 1.255 25834 7832 1 9 . 1 1 50 50 LYS H H 50 7.070 7.070 7.902 -0.832 25834 7833 1 9 . 1 1 51 51 LEU N N 51 115.307 115.307 118.078 -2.771 25834 7834 1 9 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.025 -0.220 25834 7835 1 9 . 1 1 51 51 LEU C C 51 178.314 178.314 178.368 -0.054 25834 7836 1 9 . 1 1 51 51 LEU CA C 51 57.994 57.994 58.001 -0.007 25834 7837 1 9 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.604 -0.388 25834 7838 1 9 . 1 1 51 51 LEU H H 51 7.439 7.439 8.105 -0.666 25834 7839 1 9 . 1 1 52 52 ASN N N 52 115.979 115.979 118.462 -2.483 25834 7840 1 9 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.500 -0.228 25834 7841 1 9 . 1 1 52 52 ASN C C 52 178.387 178.387 177.105 1.282 25834 7842 1 9 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.999 -0.834 25834 7843 1 9 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.069 -0.178 25834 7844 1 9 . 1 1 52 52 ASN H H 52 8.533 8.533 7.877 0.656 25834 7845 1 9 . 1 1 53 53 ALA N N 53 119.261 119.261 120.824 -1.563 25834 7846 1 9 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.270 -0.040 25834 7847 1 9 . 1 1 53 53 ALA C C 53 179.957 179.957 179.598 0.359 25834 7848 1 9 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.680 -0.643 25834 7849 1 9 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.096 1.226 25834 7850 1 9 . 1 1 53 53 ALA H H 53 7.681 7.681 7.637 0.044 25834 7851 1 9 . 1 1 54 54 GLN N N 54 111.586 111.586 114.759 -3.173 25834 7852 1 9 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.543 -0.137 25834 7853 1 9 . 1 1 54 54 GLN C C 54 178.500 178.500 177.602 0.898 25834 7854 1 9 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.568 0.225 25834 7855 1 9 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.803 -0.372 25834 7856 1 9 . 1 1 54 54 GLN H H 54 7.905 7.905 7.815 0.090 25834 7857 1 9 . 1 1 55 55 VAL N N 55 120.362 120.362 120.647 -0.285 25834 7858 1 9 . 1 1 55 55 VAL HA H 55 4.205 4.205 4.467 -0.262 25834 7859 1 9 . 1 1 55 55 VAL C C 55 174.795 174.795 177.542 -2.747 25834 7860 1 9 . 1 1 55 55 VAL CA C 55 64.682 64.682 62.828 1.854 25834 7861 1 9 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.658 -1.271 25834 7862 1 9 . 1 1 55 55 VAL H H 55 8.137 8.137 7.664 0.473 25834 7863 1 9 . 1 1 56 56 SER N N 56 114.478 114.478 114.263 0.215 25834 7864 1 9 . 1 1 56 56 SER HA H 56 3.882 3.882 4.265 -0.383 25834 7865 1 9 . 1 1 56 56 SER C C 56 174.256 174.256 174.038 0.218 25834 7866 1 9 . 1 1 56 56 SER CA C 56 60.480 60.480 59.688 0.791 25834 7867 1 9 . 1 1 56 56 SER CB C 56 62.427 62.427 62.918 -0.491 25834 7868 1 9 . 1 1 56 56 SER H H 56 7.899 7.899 8.158 -0.259 25834 7869 1 9 . 1 1 57 57 TYR N N 57 117.315 117.315 118.054 -0.739 25834 7870 1 9 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.349 -0.012 25834 7871 1 9 . 1 1 57 57 TYR C C 57 175.570 175.570 175.389 0.181 25834 7872 1 9 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.887 -0.214 25834 7873 1 9 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.446 -0.182 25834 7874 1 9 . 1 1 57 57 TYR H H 57 7.662 7.662 7.468 0.194 25834 7875 1 9 . 1 1 58 58 PHE N N 58 118.544 118.544 117.324 1.220 25834 7876 1 9 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.758 -0.352 25834 7877 1 9 . 1 1 58 58 PHE C C 58 171.715 171.715 174.284 -2.569 25834 7878 1 9 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.598 0.891 25834 7879 1 9 . 1 1 58 58 PHE CB C 58 41.401 41.401 41.882 -0.480 25834 7880 1 9 . 1 1 58 58 PHE H H 58 7.727 7.727 7.923 -0.196 25834 7881 1 9 . 1 1 59 59 GLN N N 59 127.699 127.699 120.329 7.370 25834 7882 1 9 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.593 -0.876 25834 7883 1 9 . 1 1 59 59 GLN C C 59 172.421 172.421 175.079 -2.658 25834 7884 1 9 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.267 -0.055 25834 7885 1 9 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.710 -3.765 25834 7886 1 9 . 1 1 59 59 GLN H H 59 7.909 7.909 8.499 -0.590 25834 7887 1 9 . 1 1 60 60 CYS N N 60 125.668 125.668 122.665 3.003 25834 7888 1 9 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.685 -1.407 25834 7889 1 9 . 1 1 60 60 CYS C C 60 171.317 171.317 173.319 -2.002 25834 7890 1 9 . 1 1 60 60 CYS CA C 60 57.423 57.423 55.477 1.946 25834 7891 1 9 . 1 1 60 60 CYS CB C 60 26.588 26.588 28.532 -1.944 25834 7892 1 9 . 1 1 60 60 CYS H H 60 6.802 6.802 8.422 -1.620 25834 7893 1 9 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.233 -0.131 25834 7894 1 9 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.878 -0.408 25834 7895 1 9 . 1 1 62 62 PRO CB C 62 31.620 31.620 32.085 -0.465 25834 7896 1 9 . 1 1 63 63 TRP N N 63 110.609 110.609 114.699 -4.090 25834 7897 1 9 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.563 -0.131 25834 7898 1 9 . 1 1 63 63 TRP C C 63 176.764 176.764 174.843 1.921 25834 7899 1 9 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.559 -1.550 25834 7900 1 9 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.286 0.072 25834 7901 1 9 . 1 1 63 63 TRP H H 63 6.172 6.172 7.412 -1.240 25834 7902 1 9 . 1 1 64 64 ALA N N 64 124.983 124.983 121.172 3.811 25834 7903 1 9 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.404 1.012 25834 7904 1 9 . 1 1 64 64 ALA C C 64 176.025 176.025 176.953 -0.928 25834 7905 1 9 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.503 0.134 25834 7906 1 9 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.182 2.173 25834 7907 1 9 . 1 1 64 64 ALA H H 64 7.038 7.038 6.575 0.463 25834 7908 1 9 . 1 1 65 65 ALA N N 65 120.111 120.111 123.407 -3.296 25834 7909 1 9 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.010 0.595 25834 7910 1 9 . 1 1 65 65 ALA C C 65 175.012 175.012 176.095 -1.083 25834 7911 1 9 . 1 1 65 65 ALA CA C 65 50.868 50.868 53.100 -2.232 25834 7912 1 9 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.567 6.155 25834 7913 1 9 . 1 1 65 65 ALA H H 65 8.344 8.344 8.297 0.047 25834 7914 1 9 . 1 1 66 66 LEU N N 66 118.667 118.667 118.952 -0.285 25834 7915 1 9 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.663 -0.680 25834 7916 1 9 . 1 1 66 66 LEU CA C 66 53.187 53.187 51.795 1.392 25834 7917 1 9 . 1 1 66 66 LEU CB C 66 42.535 42.535 42.501 0.034 25834 7918 1 9 . 1 1 66 66 LEU H H 66 8.272 8.272 7.528 0.744 25834 7919 1 9 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.102 -0.951 25834 7920 1 9 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.407 0.713 25834 7921 1 9 . 1 1 67 67 PRO CB C 67 31.810 31.810 31.900 -0.090 25834 7922 1 9 . 1 1 68 68 SER N N 68 118.916 118.916 116.177 2.739 25834 7923 1 9 . 1 1 68 68 SER HA H 68 4.197 4.197 4.613 -0.416 25834 7924 1 9 . 1 1 68 68 SER C C 68 173.454 173.454 173.453 0.001 25834 7925 1 9 . 1 1 68 68 SER CA C 68 57.667 57.667 58.770 -1.103 25834 7926 1 9 . 1 1 68 68 SER CB C 68 63.129 63.129 64.248 -1.119 25834 7927 1 9 . 1 1 68 68 SER H H 68 6.468 6.468 8.591 -2.123 25834 7928 1 9 . 1 1 69 69 VAL N N 69 119.159 119.159 119.322 -0.163 25834 7929 1 9 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.278 -0.072 25834 7930 1 9 . 1 1 69 69 VAL C C 69 174.162 174.162 174.780 -0.618 25834 7931 1 9 . 1 1 69 69 VAL CA C 69 60.536 60.536 61.242 -0.706 25834 7932 1 9 . 1 1 69 69 VAL CB C 69 34.809 34.809 35.032 -0.223 25834 7933 1 9 . 1 1 69 69 VAL H H 69 6.702 6.702 7.381 -0.679 25834 7934 1 9 . 1 1 70 70 ALA N N 70 128.571 128.571 127.423 1.148 25834 7935 1 9 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.718 -0.494 25834 7936 1 9 . 1 1 70 70 ALA C C 70 176.888 176.888 176.914 -0.026 25834 7937 1 9 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.828 1.062 25834 7938 1 9 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.443 0.275 25834 7939 1 9 . 1 1 70 70 ALA H H 70 8.486 8.486 8.538 -0.052 25834 7940 1 9 . 1 1 71 71 CYS N N 71 120.365 120.365 120.964 -0.599 25834 7941 1 9 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.109 0.337 25834 7942 1 9 . 1 1 71 71 CYS C C 71 173.126 173.126 173.299 -0.173 25834 7943 1 9 . 1 1 71 71 CYS CA C 71 58.111 58.111 56.487 1.624 25834 7944 1 9 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.064 0.669 25834 7945 1 9 . 1 1 71 71 CYS H H 71 8.222 8.222 8.781 -0.559 25834 7946 1 9 . 1 1 72 72 HIS N N 72 114.002 114.002 114.838 -0.836 25834 7947 1 9 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.047 -0.194 25834 7948 1 9 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.705 0.229 25834 7949 1 9 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.214 -0.756 25834 7950 1 9 . 1 1 72 72 HIS H H 72 9.033 9.033 8.536 0.497 25834 7951 1 9 . 1 1 73 73 LEU N N 73 117.312 117.312 120.542 -3.230 25834 7952 1 9 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.561 0.462 25834 7953 1 9 . 1 1 73 73 LEU C C 73 176.776 176.776 174.914 1.862 25834 7954 1 9 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.291 -0.657 25834 7955 1 9 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.370 -3.008 25834 7956 1 9 . 1 1 73 73 LEU H H 73 9.300 9.300 8.141 1.159 25834 7957 1 9 . 1 1 74 74 GLN N N 74 125.734 125.734 124.771 0.963 25834 7958 1 9 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.657 -0.072 25834 7959 1 9 . 1 1 74 74 GLN C C 74 175.495 175.495 173.796 1.699 25834 7960 1 9 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.503 0.462 25834 7961 1 9 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.838 -1.321 25834 7962 1 9 . 1 1 74 74 GLN H H 74 9.117 9.117 8.364 0.753 25834 7963 1 9 . 1 1 75 75 CYS N N 75 129.141 129.141 125.778 3.363 25834 7964 1 9 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.472 -0.425 25834 7965 1 9 . 1 1 75 75 CYS C C 75 173.524 173.524 174.444 -0.920 25834 7966 1 9 . 1 1 75 75 CYS CA C 75 57.494 57.494 56.581 0.913 25834 7967 1 9 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.574 -2.281 25834 7968 1 9 . 1 1 75 75 CYS H H 75 9.362 9.362 8.922 0.440 25834 7969 1 9 . 1 1 76 76 THR N N 76 120.173 120.173 115.270 4.903 25834 7970 1 9 . 1 1 76 76 THR HA H 76 5.014 5.014 5.001 0.013 25834 7971 1 9 . 1 1 76 76 THR C C 76 172.958 172.958 173.706 -0.748 25834 7972 1 9 . 1 1 76 76 THR CA C 76 59.790 59.790 59.762 0.028 25834 7973 1 9 . 1 1 76 76 THR CB C 76 72.870 72.870 70.570 2.300 25834 7974 1 9 . 1 1 76 76 THR H H 76 8.477 8.477 8.124 0.353 25834 7975 1 9 . 1 1 77 77 ARG N N 77 121.783 121.783 119.348 2.435 25834 7976 1 9 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.547 -0.135 25834 7977 1 9 . 1 1 77 77 ARG C C 77 175.808 175.808 175.525 0.283 25834 7978 1 9 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.693 0.028 25834 7979 1 9 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.838 0.326 25834 7980 1 9 . 1 1 77 77 ARG H H 77 8.769 8.769 7.970 0.799 25834 7981 1 9 . 1 1 78 78 ASP N N 78 130.879 130.879 126.318 4.561 25834 7982 1 9 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.284 -0.094 25834 7983 1 9 . 1 1 78 78 ASP C C 78 175.472 175.472 176.426 -0.954 25834 7984 1 9 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.001 0.708 25834 7985 1 9 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.679 -0.018 25834 7986 1 9 . 1 1 78 78 ASP H H 78 9.499 9.499 9.317 0.182 25834 7987 1 9 . 1 1 79 79 GLY N N 79 102.423 102.423 103.504 -1.081 25834 7988 1 9 . 1 1 79 79 GLY C C 79 173.613 173.613 174.292 -0.679 25834 7989 1 9 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.096 -0.134 25834 7990 1 9 . 1 1 79 79 GLY H H 79 8.361 8.361 8.625 -0.264 25834 7991 1 9 . 1 1 80 80 LEU N N 80 123.754 123.754 121.683 2.071 25834 7992 1 9 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.670 0.317 25834 7993 1 9 . 1 1 80 80 LEU C C 80 174.659 174.659 174.909 -0.250 25834 7994 1 9 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.233 0.957 25834 7995 1 9 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.021 -0.968 25834 7996 1 9 . 1 1 80 80 LEU H H 80 7.775 7.775 7.649 0.126 25834 7997 1 9 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.405 0.162 25834 7998 1 9 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.588 0.272 25834 7999 1 9 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.793 1.667 25834 8000 1 9 . 1 1 82 82 LEU N N 82 126.089 126.089 125.334 0.755 25834 8001 1 9 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.474 0.515 25834 8002 1 9 . 1 1 82 82 LEU C C 82 174.148 174.148 176.043 -1.895 25834 8003 1 9 . 1 1 82 82 LEU CA C 82 52.635 52.635 52.980 -0.345 25834 8004 1 9 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.708 1.293 25834 8005 1 9 . 1 1 82 82 LEU H H 82 8.131 8.131 7.707 0.424 25834 8006 1 9 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.444 -0.254 25834 8007 1 9 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.863 0.977 25834 8008 1 9 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.783 0.297 25834 8009 1 9 . 1 1 84 84 ALA N N 84 123.359 123.359 128.037 -4.678 25834 8010 1 9 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.560 -0.369 25834 8011 1 9 . 1 1 84 84 ALA C C 84 178.112 178.112 176.505 1.607 25834 8012 1 9 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.159 -0.405 25834 8013 1 9 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.456 0.686 25834 8014 1 9 . 1 1 84 84 ALA H H 84 8.063 8.063 8.364 -0.301 25834 8015 1 9 . 1 1 85 85 LEU N N 85 118.757 118.757 121.522 -2.765 25834 8016 1 9 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.521 0.112 25834 8017 1 9 . 1 1 85 85 LEU C C 85 177.225 177.225 176.578 0.647 25834 8018 1 9 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.368 -1.010 25834 8019 1 9 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.871 -3.703 25834 8020 1 9 . 1 1 85 85 LEU H H 85 8.393 8.393 8.244 0.149 25834 8021 1 9 . 1 1 86 86 GLY N N 86 112.143 112.143 110.239 1.904 25834 8022 1 9 . 1 1 86 86 GLY C C 86 173.704 173.704 175.038 -1.334 25834 8023 1 9 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.365 1.515 25834 8024 1 9 . 1 1 86 86 GLY H H 86 9.046 9.046 8.624 0.422 25834 8025 1 9 . 1 1 87 87 LEU N N 87 123.289 123.289 127.339 -4.050 25834 8026 1 9 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.160 0.371 25834 8027 1 9 . 1 1 87 87 LEU C C 87 177.568 177.568 176.319 1.249 25834 8028 1 9 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.505 -0.547 25834 8029 1 9 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.847 3.064 25834 8030 1 9 . 1 1 87 87 LEU H H 87 7.934 7.934 7.992 -0.058 25834 8031 1 9 . 1 1 88 88 HIS N N 88 116.221 116.221 116.806 -0.585 25834 8032 1 9 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.279 -0.408 25834 8033 1 9 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.729 2.839 25834 8034 1 9 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.194 1.582 25834 8035 1 9 . 1 1 88 88 HIS H H 88 9.253 9.253 7.796 1.457 25834 8036 1 9 . 1 1 89 89 ARG N N 89 118.280 118.280 118.273 0.007 25834 8037 1 9 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.366 -0.326 25834 8038 1 9 . 1 1 89 89 ARG C C 89 175.205 175.205 176.136 -0.931 25834 8039 1 9 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.019 0.512 25834 8040 1 9 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.295 1.508 25834 8041 1 9 . 1 1 89 89 ARG H H 89 7.300 7.300 8.639 -1.339 25834 8042 1 9 . 1 1 90 90 PHE N N 90 113.880 113.880 118.039 -4.159 25834 8043 1 9 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.795 0.608 25834 8044 1 9 . 1 1 90 90 PHE C C 90 172.663 172.663 173.716 -1.053 25834 8045 1 9 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.613 -2.258 25834 8046 1 9 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.237 -0.127 25834 8047 1 9 . 1 1 90 90 PHE H H 90 7.252 7.252 7.772 -0.520 25834 8048 1 9 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.317 0.532 25834 8049 1 9 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.045 -0.705 25834 8050 1 9 . 1 1 91 91 PRO CB C 91 32.970 32.970 31.937 1.033 25834 8051 1 9 . 1 1 92 92 PHE N N 92 104.480 104.480 112.364 -7.884 25834 8052 1 9 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.337 0.636 25834 8053 1 9 . 1 1 92 92 PHE C C 92 172.347 172.347 173.352 -1.005 25834 8054 1 9 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.633 -0.273 25834 8055 1 9 . 1 1 92 92 PHE CB C 92 41.747 41.747 42.011 -0.264 25834 8056 1 9 . 1 1 92 92 PHE H H 92 6.117 6.117 6.729 -0.612 25834 8057 1 9 . 1 1 93 93 TYR N N 93 120.959 120.959 117.243 3.716 25834 8058 1 9 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.810 -0.441 25834 8059 1 9 . 1 1 93 93 TYR C C 93 173.417 173.417 173.931 -0.514 25834 8060 1 9 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.128 0.260 25834 8061 1 9 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.701 1.749 25834 8062 1 9 . 1 1 93 93 TYR H H 93 9.370 9.370 8.763 0.607 25834 8063 1 9 . 1 1 94 94 LEU N N 94 123.359 123.359 122.124 1.235 25834 8064 1 9 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.391 0.692 25834 8065 1 9 . 1 1 94 94 LEU C C 94 176.045 176.045 175.063 0.982 25834 8066 1 9 . 1 1 94 94 LEU CA C 94 54.107 54.107 54.099 0.008 25834 8067 1 9 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.626 0.548 25834 8068 1 9 . 1 1 94 94 LEU H H 94 10.272 10.272 8.584 1.688 25834 8069 1 9 . 1 1 95 95 PHE N N 95 119.493 119.493 119.146 0.347 25834 8070 1 9 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.850 0.387 25834 8071 1 9 . 1 1 95 95 PHE C C 95 175.870 175.870 174.882 0.988 25834 8072 1 9 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.892 -1.123 25834 8073 1 9 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.700 1.630 25834 8074 1 9 . 1 1 95 95 PHE H H 95 8.761 8.761 8.280 0.481 25834 8075 1 9 . 1 1 96 96 GLY N N 96 109.374 109.374 110.990 -1.616 25834 8076 1 9 . 1 1 96 96 GLY C C 96 170.712 170.712 172.723 -2.011 25834 8077 1 9 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.222 0.164 25834 8078 1 9 . 1 1 96 96 GLY H H 96 7.966 7.966 8.256 -0.290 25834 8079 1 9 . 1 1 97 97 ARG N N 97 119.683 119.683 120.124 -0.441 25834 8080 1 9 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.802 -0.153 25834 8081 1 9 . 1 1 97 97 ARG C C 97 177.225 177.225 175.973 1.252 25834 8082 1 9 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.640 1.859 25834 8083 1 9 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.502 0.373 25834 8084 1 9 . 1 1 97 97 ARG H H 97 8.147 8.147 8.027 0.120 25834 8085 1 9 . 1 1 98 98 SER N N 98 113.711 113.711 116.346 -2.635 25834 8086 1 9 . 1 1 98 98 SER HA H 98 4.337 4.337 4.503 -0.166 25834 8087 1 9 . 1 1 98 98 SER C C 98 176.172 176.172 175.788 0.384 25834 8088 1 9 . 1 1 98 98 SER CA C 98 57.909 57.909 57.764 0.145 25834 8089 1 9 . 1 1 98 98 SER CB C 98 63.085 63.085 64.561 -1.476 25834 8090 1 9 . 1 1 98 98 SER H H 98 9.133 9.133 7.678 1.455 25834 8091 1 9 . 1 1 99 99 LYS N N 99 124.590 124.590 123.466 1.124 25834 8092 1 9 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.215 -0.271 25834 8093 1 9 . 1 1 99 99 LYS C C 99 176.548 176.548 176.727 -0.179 25834 8094 1 9 . 1 1 99 99 LYS CA C 99 58.193 58.193 58.275 -0.082 25834 8095 1 9 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.762 -0.101 25834 8096 1 9 . 1 1 99 99 LYS H H 99 8.451 8.451 8.785 -0.334 25834 8097 1 9 . 1 1 100 100 VAL N N 100 114.126 114.126 113.391 0.735 25834 8098 1 9 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.043 -0.145 25834 8099 1 9 . 1 1 100 100 VAL C C 100 176.832 176.832 176.367 0.465 25834 8100 1 9 . 1 1 100 100 VAL CA C 100 62.964 62.964 61.812 1.152 25834 8101 1 9 . 1 1 100 100 VAL CB C 100 31.693 31.693 30.603 1.090 25834 8102 1 9 . 1 1 100 100 VAL H H 100 7.512 7.512 7.622 -0.110 25834 8103 1 9 . 1 1 101 101 CYS N N 101 119.359 119.359 119.101 0.258 25834 8104 1 9 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.242 -0.755 25834 8105 1 9 . 1 1 101 101 CYS C C 101 172.156 172.156 174.939 -2.783 25834 8106 1 9 . 1 1 101 101 CYS CA C 101 61.155 61.155 59.915 1.240 25834 8107 1 9 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.206 -2.358 25834 8108 1 9 . 1 1 101 101 CYS H H 101 7.641 7.641 7.318 0.323 25834 8109 1 9 . 1 1 102 102 ASP N N 102 118.734 118.734 120.759 -2.025 25834 8110 1 9 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.472 -0.543 25834 8111 1 9 . 1 1 102 102 ASP C C 102 175.410 175.410 175.547 -0.137 25834 8112 1 9 . 1 1 102 102 ASP CA C 102 57.029 57.029 56.371 0.658 25834 8113 1 9 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.353 1.575 25834 8114 1 9 . 1 1 102 102 ASP H H 102 7.367 7.367 8.138 -0.771 25834 8115 1 9 . 1 1 103 103 TYR N N 103 114.004 114.004 118.968 -4.964 25834 8116 1 9 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.679 0.553 25834 8117 1 9 . 1 1 103 103 TYR C C 103 172.997 172.997 173.891 -0.894 25834 8118 1 9 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.274 0.080 25834 8119 1 9 . 1 1 103 103 TYR CB C 103 39.280 39.280 40.977 -1.696 25834 8120 1 9 . 1 1 103 103 TYR H H 103 7.111 7.111 7.450 -0.339 25834 8121 1 9 . 1 1 104 104 VAL N N 104 124.660 124.660 125.576 -0.916 25834 8122 1 9 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.265 0.260 25834 8123 1 9 . 1 1 104 104 VAL C C 104 176.491 176.491 175.795 0.696 25834 8124 1 9 . 1 1 104 104 VAL CA C 104 61.221 61.221 62.489 -1.268 25834 8125 1 9 . 1 1 104 104 VAL CB C 104 31.806 31.806 31.690 0.116 25834 8126 1 9 . 1 1 104 104 VAL H H 104 8.210 8.210 8.492 -0.282 25834 8127 1 9 . 1 1 105 105 LEU N N 105 130.546 130.546 129.741 0.805 25834 8128 1 9 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.978 -0.411 25834 8129 1 9 . 1 1 105 105 LEU C C 105 175.794 175.794 175.573 0.221 25834 8130 1 9 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.224 -0.366 25834 8131 1 9 . 1 1 105 105 LEU CB C 105 43.199 43.199 44.065 -0.866 25834 8132 1 9 . 1 1 105 105 LEU H H 105 8.217 8.217 8.094 0.123 25834 8133 1 9 . 1 1 106 106 GLU N N 106 117.285 117.285 118.700 -1.415 25834 8134 1 9 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.688 -0.439 25834 8135 1 9 . 1 1 106 106 GLU C C 106 176.698 176.698 175.164 1.534 25834 8136 1 9 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.144 0.509 25834 8137 1 9 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.599 0.551 25834 8138 1 9 . 1 1 106 106 GLU H H 106 8.219 8.219 8.416 -0.197 25834 8139 1 9 . 1 1 107 107 HIS N N 107 123.685 123.685 123.224 0.461 25834 8140 1 9 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.867 -1.016 25834 8141 1 9 . 1 1 107 107 HIS CA C 107 58.239 58.239 54.777 3.462 25834 8142 1 9 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.144 -1.225 25834 8143 1 9 . 1 1 107 107 HIS H H 107 7.703 7.703 8.508 -0.805 25834 8144 1 9 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.508 -0.368 25834 8145 1 9 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.017 0.633 25834 8146 1 9 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.430 -0.410 25834 8147 1 9 . 1 1 109 109 SER N N 109 114.134 114.134 112.727 1.407 25834 8148 1 9 . 1 1 109 109 SER HA H 109 4.326 4.326 4.597 -0.271 25834 8149 1 9 . 1 1 109 109 SER C C 109 174.553 174.553 174.684 -0.131 25834 8150 1 9 . 1 1 109 109 SER CA C 109 59.214 59.214 59.089 0.125 25834 8151 1 9 . 1 1 109 109 SER CB C 109 64.953 64.953 64.203 0.750 25834 8152 1 9 . 1 1 109 109 SER H H 109 9.035 9.035 7.965 1.070 25834 8153 1 9 . 1 1 110 110 ILE N N 110 128.498 128.498 124.500 3.998 25834 8154 1 9 . 1 1 110 110 ILE HA H 110 4.219 4.219 3.947 0.272 25834 8155 1 9 . 1 1 110 110 ILE C C 110 175.968 175.968 175.247 0.721 25834 8156 1 9 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.292 -2.389 25834 8157 1 9 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.481 -0.743 25834 8158 1 9 . 1 1 110 110 ILE H H 110 8.103 8.103 8.048 0.055 25834 8159 1 9 . 1 1 111 111 SER N N 111 127.509 127.509 123.641 3.868 25834 8160 1 9 . 1 1 111 111 SER HA H 111 4.207 4.207 4.879 -0.672 25834 8161 1 9 . 1 1 111 111 SER C C 111 174.300 174.300 175.774 -1.474 25834 8162 1 9 . 1 1 111 111 SER CA C 111 60.844 60.844 56.977 3.867 25834 8163 1 9 . 1 1 111 111 SER CB C 111 64.891 64.891 65.555 -0.664 25834 8164 1 9 . 1 1 111 111 SER H H 111 11.497 11.497 8.294 3.203 25834 8165 1 9 . 1 1 112 112 SER N N 112 120.261 120.261 116.219 4.042 25834 8166 1 9 . 1 1 112 112 SER HA H 112 4.208 4.208 4.424 -0.216 25834 8167 1 9 . 1 1 112 112 SER C C 112 174.250 174.250 174.166 0.084 25834 8168 1 9 . 1 1 112 112 SER CA C 112 63.258 63.258 61.406 1.852 25834 8169 1 9 . 1 1 112 112 SER CB C 112 62.194 62.194 63.218 -1.024 25834 8170 1 9 . 1 1 112 112 SER H H 112 9.135 9.135 8.798 0.337 25834 8171 1 9 . 1 1 113 113 VAL N N 113 118.006 118.006 111.701 6.305 25834 8172 1 9 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.637 -0.984 25834 8173 1 9 . 1 1 113 113 VAL C C 113 173.570 173.570 175.030 -1.460 25834 8174 1 9 . 1 1 113 113 VAL CA C 113 64.376 64.376 60.889 3.487 25834 8175 1 9 . 1 1 113 113 VAL CB C 113 32.216 32.216 31.911 0.305 25834 8176 1 9 . 1 1 113 113 VAL H H 113 7.781 7.781 7.575 0.205 25834 8177 1 9 . 1 1 114 114 HIS N N 114 128.080 128.080 124.776 3.304 25834 8178 1 9 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.473 -0.279 25834 8179 1 9 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.519 -1.097 25834 8180 1 9 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.140 4.915 25834 8181 1 9 . 1 1 114 114 HIS H H 114 8.875 8.875 8.292 0.583 25834 8182 1 9 . 1 1 115 115 ALA N N 115 114.264 114.264 115.032 -0.768 25834 8183 1 9 . 1 1 115 115 ALA HA H 115 5.231 5.231 5.024 0.207 25834 8184 1 9 . 1 1 115 115 ALA C C 115 173.729 173.729 174.416 -0.687 25834 8185 1 9 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.215 -0.257 25834 8186 1 9 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.692 1.912 25834 8187 1 9 . 1 1 115 115 ALA H H 115 8.250 8.250 7.655 0.595 25834 8188 1 9 . 1 1 116 116 VAL N N 116 116.683 116.683 118.562 -1.879 25834 8189 1 9 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.946 0.912 25834 8190 1 9 . 1 1 116 116 VAL C C 116 173.135 173.135 173.363 -0.228 25834 8191 1 9 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.540 -1.732 25834 8192 1 9 . 1 1 116 116 VAL CB C 116 36.180 36.180 34.946 1.234 25834 8193 1 9 . 1 1 116 116 VAL H H 116 8.808 8.808 7.725 1.083 25834 8194 1 9 . 1 1 117 117 LEU N N 117 124.933 124.933 125.338 -0.405 25834 8195 1 9 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.398 0.356 25834 8196 1 9 . 1 1 117 117 LEU C C 117 174.233 174.233 175.310 -1.077 25834 8197 1 9 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.905 1.007 25834 8198 1 9 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.201 1.928 25834 8199 1 9 . 1 1 117 117 LEU H H 117 8.799 8.799 8.296 0.503 25834 8200 1 9 . 1 1 118 118 VAL N N 118 123.453 123.453 119.886 3.567 25834 8201 1 9 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.930 0.507 25834 8202 1 9 . 1 1 118 118 VAL C C 118 174.261 174.261 175.368 -1.107 25834 8203 1 9 . 1 1 118 118 VAL CA C 118 59.238 59.238 61.347 -2.110 25834 8204 1 9 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.388 -0.319 25834 8205 1 9 . 1 1 118 118 VAL H H 118 10.009 10.009 8.389 1.620 25834 8206 1 9 . 1 1 119 119 PHE N N 119 132.016 132.016 127.727 4.289 25834 8207 1 9 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.628 0.218 25834 8208 1 9 . 1 1 119 119 PHE C C 119 172.828 172.828 174.586 -1.758 25834 8209 1 9 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.995 3.294 25834 8210 1 9 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.925 -0.284 25834 8211 1 9 . 1 1 119 119 PHE H H 119 9.544 9.544 8.355 1.189 25834 8212 1 9 . 1 1 120 120 HIS N N 120 130.718 130.718 126.759 3.959 25834 8213 1 9 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.864 -1.020 25834 8214 1 9 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.388 -1.560 25834 8215 1 9 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.027 2.249 25834 8216 1 9 . 1 1 120 120 HIS H H 120 8.365 8.365 8.300 0.065 25834 8217 1 9 . 1 1 121 121 GLY N N 121 111.906 111.906 114.472 -2.566 25834 8218 1 9 . 1 1 121 121 GLY C C 121 174.992 174.992 174.205 0.787 25834 8219 1 9 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.810 2.160 25834 8220 1 9 . 1 1 121 121 GLY H H 121 8.150 8.150 8.687 -0.537 25834 8221 1 9 . 1 1 122 122 GLY N N 122 111.156 111.156 108.110 3.046 25834 8222 1 9 . 1 1 122 122 GLY C C 122 175.834 175.834 175.564 0.270 25834 8223 1 9 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.840 0.555 25834 8224 1 9 . 1 1 122 122 GLY H H 122 9.055 9.055 7.767 1.288 25834 8225 1 9 . 1 1 123 123 GLN N N 123 121.769 121.769 118.821 2.948 25834 8226 1 9 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.420 -0.486 25834 8227 1 9 . 1 1 123 123 GLN C C 123 175.649 175.649 176.153 -0.504 25834 8228 1 9 . 1 1 123 123 GLN CA C 123 56.432 56.432 55.612 0.820 25834 8229 1 9 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.643 -0.218 25834 8230 1 9 . 1 1 123 123 GLN H H 123 9.270 9.270 7.883 1.387 25834 8231 1 9 . 1 1 124 124 ARG N N 124 115.831 115.831 115.110 0.721 25834 8232 1 9 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.145 -0.679 25834 8233 1 9 . 1 1 124 124 ARG C C 124 173.830 173.830 174.511 -0.681 25834 8234 1 9 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.417 -0.226 25834 8235 1 9 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.116 -0.489 25834 8236 1 9 . 1 1 124 124 ARG H H 124 8.141 8.141 8.367 -0.226 25834 8237 1 9 . 1 1 125 125 CYS N N 125 111.895 111.895 115.748 -3.853 25834 8238 1 9 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.700 -0.210 25834 8239 1 9 . 1 1 125 125 CYS C C 125 172.037 172.037 174.260 -2.223 25834 8240 1 9 . 1 1 125 125 CYS CA C 125 55.647 55.647 57.627 -1.980 25834 8241 1 9 . 1 1 125 125 CYS CB C 125 30.488 30.488 31.071 -0.583 25834 8242 1 9 . 1 1 125 125 CYS H H 125 6.808 6.808 7.546 -0.738 25834 8243 1 9 . 1 1 126 126 PHE N N 126 119.776 119.776 123.759 -3.983 25834 8244 1 9 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.751 0.054 25834 8245 1 9 . 1 1 126 126 PHE C C 126 175.431 175.431 175.694 -0.263 25834 8246 1 9 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.367 1.359 25834 8247 1 9 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.336 1.176 25834 8248 1 9 . 1 1 126 126 PHE H H 126 9.599 9.599 9.211 0.388 25834 8249 1 9 . 1 1 127 127 VAL N N 127 119.700 119.700 124.640 -4.940 25834 8250 1 9 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.291 0.334 25834 8251 1 9 . 1 1 127 127 VAL C C 127 173.499 173.499 174.671 -1.172 25834 8252 1 9 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.792 -1.291 25834 8253 1 9 . 1 1 127 127 VAL CB C 127 34.354 34.354 31.995 2.358 25834 8254 1 9 . 1 1 127 127 VAL H H 127 9.594 9.594 8.998 0.596 25834 8255 1 9 . 1 1 128 128 LEU N N 128 129.107 129.107 130.567 -1.460 25834 8256 1 9 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.309 0.108 25834 8257 1 9 . 1 1 128 128 LEU C C 128 175.310 175.310 175.212 0.098 25834 8258 1 9 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.296 -0.306 25834 8259 1 9 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.714 1.821 25834 8260 1 9 . 1 1 128 128 LEU H H 128 9.545 9.545 8.333 1.212 25834 8261 1 9 . 1 1 129 129 MET N N 129 119.581 119.581 123.898 -4.317 25834 8262 1 9 . 1 1 129 129 MET HA H 129 4.792 4.792 5.034 -0.242 25834 8263 1 9 . 1 1 129 129 MET C C 129 174.562 174.562 174.528 0.034 25834 8264 1 9 . 1 1 129 129 MET CA C 129 54.980 54.980 54.637 0.343 25834 8265 1 9 . 1 1 129 129 MET CB C 129 38.129 38.129 36.879 1.250 25834 8266 1 9 . 1 1 129 129 MET H H 129 8.724 8.724 8.138 0.586 25834 8267 1 9 . 1 1 130 130 ASP N N 130 124.566 124.566 121.965 2.601 25834 8268 1 9 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.131 -0.459 25834 8269 1 9 . 1 1 130 130 ASP C C 130 178.291 178.291 177.973 0.318 25834 8270 1 9 . 1 1 130 130 ASP CA C 130 53.766 53.766 52.592 1.174 25834 8271 1 9 . 1 1 130 130 ASP CB C 130 42.063 42.063 42.718 -0.655 25834 8272 1 9 . 1 1 130 130 ASP H H 130 9.500 9.500 8.815 0.685 25834 8273 1 9 . 1 1 131 131 LEU N N 131 129.917 129.917 123.393 6.524 25834 8274 1 9 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.496 -0.069 25834 8275 1 9 . 1 1 131 131 LEU C C 131 176.172 176.172 177.228 -1.056 25834 8276 1 9 . 1 1 131 131 LEU CA C 131 54.227 54.227 56.381 -2.154 25834 8277 1 9 . 1 1 131 131 LEU CB C 131 39.713 39.713 42.382 -2.668 25834 8278 1 9 . 1 1 131 131 LEU H H 131 8.182 8.182 8.025 0.157 25834 8279 1 9 . 1 1 132 132 GLY N N 132 107.323 107.323 104.464 2.859 25834 8280 1 9 . 1 1 132 132 GLY C C 132 174.507 174.507 174.212 0.295 25834 8281 1 9 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.300 1.971 25834 8282 1 9 . 1 1 132 132 GLY H H 132 8.233 8.233 8.436 -0.203 25834 8283 1 9 . 1 1 133 133 SER N N 133 119.398 119.398 115.554 3.844 25834 8284 1 9 . 1 1 133 133 SER HA H 133 4.091 4.091 4.304 -0.213 25834 8285 1 9 . 1 1 133 133 SER C C 133 175.194 175.194 175.950 -0.756 25834 8286 1 9 . 1 1 133 133 SER CA C 133 59.003 59.003 59.025 -0.022 25834 8287 1 9 . 1 1 133 133 SER CB C 133 62.766 62.766 63.967 -1.201 25834 8288 1 9 . 1 1 133 133 SER H H 133 9.111 9.111 8.293 0.818 25834 8289 1 9 . 1 1 134 134 THR N N 134 117.002 117.002 114.897 2.105 25834 8290 1 9 . 1 1 134 134 THR HA H 134 3.917 3.917 4.428 -0.511 25834 8291 1 9 . 1 1 134 134 THR C C 134 176.542 176.542 175.313 1.229 25834 8292 1 9 . 1 1 134 134 THR CA C 134 66.444 66.444 63.630 2.813 25834 8293 1 9 . 1 1 134 134 THR CB C 134 68.876 68.876 69.359 -0.483 25834 8294 1 9 . 1 1 134 134 THR H H 134 7.136 7.136 8.533 -1.397 25834 8295 1 9 . 1 1 135 135 ASN N N 135 114.018 114.018 120.859 -6.841 25834 8296 1 9 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.682 0.212 25834 8297 1 9 . 1 1 135 135 ASN C C 135 175.875 175.875 175.000 0.875 25834 8298 1 9 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.238 -0.559 25834 8299 1 9 . 1 1 135 135 ASN CB C 135 39.207 39.207 39.309 -0.102 25834 8300 1 9 . 1 1 135 135 ASN H H 135 9.243 9.243 7.904 1.339 25834 8301 1 9 . 1 1 136 136 GLY N N 136 106.575 106.575 107.500 -0.925 25834 8302 1 9 . 1 1 136 136 GLY C C 136 174.404 174.404 172.618 1.786 25834 8303 1 9 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.446 1.566 25834 8304 1 9 . 1 1 136 136 GLY H H 136 7.533 7.533 7.834 -0.301 25834 8305 1 9 . 1 1 137 137 VAL N N 137 123.037 123.037 122.132 0.905 25834 8306 1 9 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.280 0.274 25834 8307 1 9 . 1 1 137 137 VAL C C 137 173.367 173.367 175.294 -1.927 25834 8308 1 9 . 1 1 137 137 VAL CA C 137 61.221 61.221 60.793 0.428 25834 8309 1 9 . 1 1 137 137 VAL CB C 137 36.191 36.191 32.791 3.400 25834 8310 1 9 . 1 1 137 137 VAL H H 137 9.270 9.270 8.433 0.837 25834 8311 1 9 . 1 1 138 138 LYS N N 138 123.932 123.932 124.075 -0.143 25834 8312 1 9 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.587 0.321 25834 8313 1 9 . 1 1 138 138 LYS C C 138 174.454 174.454 174.742 -0.288 25834 8314 1 9 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.481 -0.961 25834 8315 1 9 . 1 1 138 138 LYS CB C 138 35.859 35.859 34.671 1.188 25834 8316 1 9 . 1 1 138 138 LYS H H 138 8.779 8.779 8.159 0.620 25834 8317 1 9 . 1 1 139 139 LEU N N 139 124.937 124.937 123.249 1.688 25834 8318 1 9 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.652 0.383 25834 8319 1 9 . 1 1 139 139 LEU C C 139 176.335 176.335 175.995 0.340 25834 8320 1 9 . 1 1 139 139 LEU CA C 139 52.721 52.721 54.039 -1.318 25834 8321 1 9 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.434 0.693 25834 8322 1 9 . 1 1 139 139 LEU H H 139 8.528 8.528 8.733 -0.205 25834 8323 1 9 . 1 1 140 140 ASN N N 140 128.375 128.375 124.703 3.672 25834 8324 1 9 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.635 -0.239 25834 8325 1 9 . 1 1 140 140 ASN C C 140 175.256 175.256 174.677 0.579 25834 8326 1 9 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.478 -0.066 25834 8327 1 9 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.895 -1.016 25834 8328 1 9 . 1 1 140 140 ASN H H 140 10.056 10.056 9.092 0.964 25834 8329 1 9 . 1 1 141 141 GLY N N 141 101.602 101.602 103.981 -2.379 25834 8330 1 9 . 1 1 141 141 GLY C C 141 173.265 173.265 173.570 -0.305 25834 8331 1 9 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.040 -0.068 25834 8332 1 9 . 1 1 141 141 GLY H H 141 8.811 8.811 8.531 0.280 25834 8333 1 9 . 1 1 142 142 ASN N N 142 118.060 118.060 118.778 -0.718 25834 8334 1 9 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.984 0.024 25834 8335 1 9 . 1 1 142 142 ASN C C 142 174.106 174.106 174.199 -0.093 25834 8336 1 9 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.484 -0.888 25834 8337 1 9 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.731 -0.693 25834 8338 1 9 . 1 1 142 142 ASN H H 142 7.512 7.512 7.904 -0.392 25834 8339 1 9 . 1 1 143 143 ARG N N 143 125.882 125.882 124.013 1.869 25834 8340 1 9 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.218 0.403 25834 8341 1 9 . 1 1 143 143 ARG C C 143 177.077 177.077 175.380 1.697 25834 8342 1 9 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.156 -0.216 25834 8343 1 9 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.242 -0.455 25834 8344 1 9 . 1 1 143 143 ARG H H 143 8.975 8.975 8.652 0.323 25834 8345 1 9 . 1 1 144 144 ILE N N 144 124.442 124.442 120.343 4.099 25834 8346 1 9 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.566 0.005 25834 8347 1 9 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.831 1.964 25834 8348 1 9 . 1 1 144 144 ILE CB C 144 39.273 39.273 39.898 -0.625 25834 8349 1 9 . 1 1 144 144 ILE H H 144 6.907 6.907 8.032 -1.125 25834 8350 1 9 . 1 1 145 145 GLU N N 145 122.815 122.815 121.223 1.592 25834 8351 1 9 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.219 -0.015 25834 8352 1 9 . 1 1 145 145 GLU C C 145 176.123 176.123 175.469 0.654 25834 8353 1 9 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.546 -1.211 25834 8354 1 9 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.190 0.402 25834 8355 1 9 . 1 1 145 145 GLU H H 145 8.628 8.628 8.496 0.132 25834 8356 1 9 . 1 1 146 146 LYS N N 146 122.367 122.367 116.795 5.572 25834 8357 1 9 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.442 -0.326 25834 8358 1 9 . 1 1 146 146 LYS C C 146 175.811 175.811 176.193 -0.382 25834 8359 1 9 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.782 3.174 25834 8360 1 9 . 1 1 146 146 LYS CB C 146 33.562 33.562 33.652 -0.090 25834 8361 1 9 . 1 1 146 146 LYS H H 146 8.755 8.755 8.106 0.649 25834 8362 1 9 . 1 1 147 147 ARG N N 147 115.303 115.303 118.794 -3.491 25834 8363 1 9 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.064 -0.407 25834 8364 1 9 . 1 1 147 147 ARG C C 147 174.121 174.121 174.682 -0.561 25834 8365 1 9 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.365 1.107 25834 8366 1 9 . 1 1 147 147 ARG CB C 147 27.393 27.393 27.915 -0.522 25834 8367 1 9 . 1 1 147 147 ARG H H 147 9.124 9.124 8.333 0.791 25834 8368 1 9 . 1 1 148 148 ARG N N 148 118.994 118.994 115.863 3.131 25834 8369 1 9 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.780 0.182 25834 8370 1 9 . 1 1 148 148 ARG C C 148 173.769 173.769 173.454 0.315 25834 8371 1 9 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.481 0.005 25834 8372 1 9 . 1 1 148 148 ARG CB C 148 32.396 32.396 31.592 0.804 25834 8373 1 9 . 1 1 148 148 ARG H H 148 8.133 8.133 7.724 0.409 25834 8374 1 9 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.480 0.158 25834 8375 1 9 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.506 -0.866 25834 8376 1 9 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.487 0.313 25834 8377 1 9 . 1 1 150 150 LEU N N 150 129.239 129.239 125.901 3.338 25834 8378 1 9 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.815 0.161 25834 8379 1 9 . 1 1 150 150 LEU C C 150 173.433 173.433 175.335 -1.902 25834 8380 1 9 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.703 -0.348 25834 8381 1 9 . 1 1 150 150 LEU CB C 150 44.253 44.253 41.848 2.405 25834 8382 1 9 . 1 1 150 150 LEU H H 150 8.850 8.850 8.035 0.815 25834 8383 1 9 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.643 -0.312 25834 8384 1 9 . 1 1 151 151 PRO CA C 151 64.201 64.201 61.971 2.230 25834 8385 1 9 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.724 0.949 25834 8386 1 9 . 1 1 152 152 ALA N N 152 123.538 123.538 127.434 -3.896 25834 8387 1 9 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.796 0.087 25834 8388 1 9 . 1 1 152 152 ALA C C 152 172.551 172.551 175.627 -3.076 25834 8389 1 9 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.342 -1.225 25834 8390 1 9 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.358 -1.256 25834 8391 1 9 . 1 1 152 152 ALA H H 152 8.741 8.741 8.902 -0.161 25834 8392 1 9 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.473 0.164 25834 8393 1 9 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.149 -0.069 25834 8394 1 9 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.712 0.618 25834 8395 1 9 . 1 1 154 154 VAL N N 154 121.024 121.024 115.509 5.515 25834 8396 1 9 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.566 -0.242 25834 8397 1 9 . 1 1 154 154 VAL C C 154 176.371 176.371 176.855 -0.484 25834 8398 1 9 . 1 1 154 154 VAL CA C 154 65.636 65.636 63.477 2.159 25834 8399 1 9 . 1 1 154 154 VAL CB C 154 31.513 31.513 32.014 -0.501 25834 8400 1 9 . 1 1 154 154 VAL H H 154 8.653 8.653 8.131 0.522 25834 8401 1 9 . 1 1 155 155 GLY N N 155 116.464 116.464 113.711 2.753 25834 8402 1 9 . 1 1 155 155 GLY C C 155 174.707 174.707 174.463 0.244 25834 8403 1 9 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.297 -0.988 25834 8404 1 9 . 1 1 155 155 GLY H H 155 9.242 9.242 8.677 0.565 25834 8405 1 9 . 1 1 156 156 SER N N 156 117.176 117.176 114.764 2.412 25834 8406 1 9 . 1 1 156 156 SER HA H 156 4.684 4.684 4.655 0.029 25834 8407 1 9 . 1 1 156 156 SER C C 156 172.437 172.437 173.402 -0.965 25834 8408 1 9 . 1 1 156 156 SER CA C 156 60.271 60.271 57.209 3.062 25834 8409 1 9 . 1 1 156 156 SER CB C 156 64.119 64.119 66.025 -1.906 25834 8410 1 9 . 1 1 156 156 SER H H 156 8.166 8.166 7.505 0.661 25834 8411 1 9 . 1 1 157 157 SER N N 157 117.025 117.025 115.097 1.928 25834 8412 1 9 . 1 1 157 157 SER HA H 157 5.334 5.334 5.367 -0.033 25834 8413 1 9 . 1 1 157 157 SER C C 157 173.729 173.729 172.806 0.923 25834 8414 1 9 . 1 1 157 157 SER CA C 157 56.737 56.737 56.986 -0.249 25834 8415 1 9 . 1 1 157 157 SER CB C 157 65.445 65.445 66.756 -1.311 25834 8416 1 9 . 1 1 157 157 SER H H 157 8.371 8.371 8.234 0.137 25834 8417 1 9 . 1 1 158 158 ILE N N 158 126.089 126.089 118.320 7.769 25834 8418 1 9 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.358 0.461 25834 8419 1 9 . 1 1 158 158 ILE C C 158 174.471 174.471 173.967 0.504 25834 8420 1 9 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.510 -0.461 25834 8421 1 9 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.894 0.540 25834 8422 1 9 . 1 1 158 158 ILE H H 158 9.601 9.601 8.391 1.210 25834 8423 1 9 . 1 1 159 159 GLN N N 159 123.323 123.323 120.448 2.875 25834 8424 1 9 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.921 -0.359 25834 8425 1 9 . 1 1 159 159 GLN C C 159 174.219 174.219 174.257 -0.038 25834 8426 1 9 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.630 0.474 25834 8427 1 9 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.218 0.409 25834 8428 1 9 . 1 1 159 159 GLN H H 159 8.290 8.290 8.177 0.113 25834 8429 1 9 . 1 1 160 160 PHE N N 160 124.084 124.084 118.591 5.493 25834 8430 1 9 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.886 -0.322 25834 8431 1 9 . 1 1 160 160 PHE C C 160 174.368 174.368 173.832 0.536 25834 8432 1 9 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.769 -0.354 25834 8433 1 9 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.169 -0.492 25834 8434 1 9 . 1 1 160 160 PHE H H 160 9.622 9.622 8.559 1.063 25834 8435 1 9 . 1 1 161 161 GLY N N 161 108.516 108.516 112.559 -4.043 25834 8436 1 9 . 1 1 161 161 GLY C C 161 173.064 173.064 173.291 -0.227 25834 8437 1 9 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.373 0.799 25834 8438 1 9 . 1 1 161 161 GLY H H 161 8.409 8.409 8.010 0.399 25834 8439 1 9 . 1 1 162 162 PHE N N 162 123.240 123.240 121.100 2.140 25834 8440 1 9 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.656 0.285 25834 8441 1 9 . 1 1 162 162 PHE C C 162 175.982 175.982 175.274 0.708 25834 8442 1 9 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.914 -2.853 25834 8443 1 9 . 1 1 162 162 PHE CB C 162 38.091 38.091 38.910 -0.819 25834 8444 1 9 . 1 1 162 162 PHE H H 162 8.848 8.848 8.027 0.821 25834 8445 1 9 . 1 1 163 163 SER N N 163 113.673 113.673 114.400 -0.727 25834 8446 1 9 . 1 1 163 163 SER HA H 163 4.001 4.001 3.760 0.241 25834 8447 1 9 . 1 1 163 163 SER C C 163 176.303 176.303 174.933 1.370 25834 8448 1 9 . 1 1 163 163 SER CA C 163 58.004 58.004 58.234 -0.230 25834 8449 1 9 . 1 1 163 163 SER CB C 163 62.297 62.297 63.701 -1.404 25834 8450 1 9 . 1 1 163 163 SER H H 163 7.071 7.071 6.888 0.183 25834 8451 1 9 . 1 1 164 164 SER N N 164 126.213 126.213 115.566 10.647 25834 8452 1 9 . 1 1 164 164 SER HA H 164 4.188 4.188 4.220 -0.032 25834 8453 1 9 . 1 1 164 164 SER C C 164 174.499 174.499 174.997 -0.498 25834 8454 1 9 . 1 1 164 164 SER CA C 164 59.606 59.606 58.887 0.719 25834 8455 1 9 . 1 1 164 164 SER CB C 164 63.841 63.841 63.839 0.002 25834 8456 1 9 . 1 1 164 164 SER H H 164 9.901 9.901 8.586 1.315 25834 8457 1 9 . 1 1 165 165 ARG N N 165 122.909 122.909 121.769 1.140 25834 8458 1 9 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.327 -0.107 25834 8459 1 9 . 1 1 165 165 ARG C C 165 175.560 175.560 175.532 0.028 25834 8460 1 9 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.797 0.652 25834 8461 1 9 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.579 0.412 25834 8462 1 9 . 1 1 165 165 ARG H H 165 8.096 8.096 7.699 0.397 25834 8463 1 9 . 1 1 166 166 VAL N N 166 123.934 123.934 119.067 4.867 25834 8464 1 9 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.059 0.099 25834 8465 1 9 . 1 1 166 166 VAL C C 166 174.398 174.398 174.208 0.190 25834 8466 1 9 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.609 1.434 25834 8467 1 9 . 1 1 166 166 VAL CB C 166 33.399 33.399 34.821 -1.422 25834 8468 1 9 . 1 1 166 166 VAL H H 166 8.756 8.756 7.815 0.941 25834 8469 1 9 . 1 1 167 167 TYR N N 167 126.353 126.353 125.328 1.025 25834 8470 1 9 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.073 0.129 25834 8471 1 9 . 1 1 167 167 TYR C C 167 174.823 174.823 175.204 -0.381 25834 8472 1 9 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.372 -0.469 25834 8473 1 9 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.455 1.401 25834 8474 1 9 . 1 1 167 167 TYR H H 167 8.637 8.637 8.174 0.463 25834 8475 1 9 . 1 1 168 168 LYS N N 168 123.312 123.312 125.792 -2.480 25834 8476 1 9 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.818 0.668 25834 8477 1 9 . 1 1 168 168 LYS C C 168 176.634 176.634 175.293 1.341 25834 8478 1 9 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.347 -0.435 25834 8479 1 9 . 1 1 168 168 LYS CB C 168 35.902 35.902 34.020 1.881 25834 8480 1 9 . 1 1 168 168 LYS H H 168 9.005 9.005 8.811 0.194 25834 8481 1 9 . 1 1 169 169 VAL N N 169 125.863 125.863 125.714 0.149 25834 8482 1 9 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.293 -0.475 25834 8483 1 9 . 1 1 169 169 VAL C C 169 175.804 175.804 175.849 -0.045 25834 8484 1 9 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.055 1.800 25834 8485 1 9 . 1 1 169 169 VAL CB C 169 30.937 30.937 31.965 -1.028 25834 8486 1 9 . 1 1 169 169 VAL H H 169 8.305 8.305 8.186 0.119 25834 8487 1 9 . 1 1 170 170 GLN N N 170 129.871 129.871 122.684 7.187 25834 8488 1 9 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.571 0.296 25834 8489 1 9 . 1 1 170 170 GLN C C 170 174.293 174.293 172.941 1.352 25834 8490 1 9 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.231 -1.413 25834 8491 1 9 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.385 -0.705 25834 8492 1 9 . 1 1 170 170 GLN H H 170 9.124 9.124 8.087 1.037 25834 8493 1 9 . 1 1 171 171 LEU N N 171 122.168 122.168 124.853 -2.685 25834 8494 1 9 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.560 -0.068 25834 8495 1 9 . 1 1 171 171 LEU C C 171 177.672 177.672 175.940 1.732 25834 8496 1 9 . 1 1 171 171 LEU CA C 171 55.951 55.951 54.035 1.916 25834 8497 1 9 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.753 0.270 25834 8498 1 9 . 1 1 171 171 LEU H H 171 8.569 8.569 8.355 0.214 25834 8499 1 9 . 1 1 172 172 GLY N N 172 111.174 111.174 112.711 -1.537 25834 8500 1 9 . 1 1 172 172 GLY C C 172 171.895 171.895 172.878 -0.983 25834 8501 1 9 . 1 1 172 172 GLY CA C 172 44.179 44.179 43.292 0.887 25834 8502 1 9 . 1 1 172 172 GLY H H 172 8.588 8.588 8.134 0.454 25834 8503 1 9 . 1 1 175 175 SER N N 175 115.756 115.756 116.861 -1.105 25834 8504 1 9 . 1 1 175 175 SER HA H 175 4.274 4.274 4.596 -0.322 25834 8505 1 9 . 1 1 175 175 SER C C 175 174.314 174.314 174.722 -0.408 25834 8506 1 9 . 1 1 175 175 SER CA C 175 57.998 57.998 57.550 0.448 25834 8507 1 9 . 1 1 175 175 SER CB C 175 63.886 63.886 62.967 0.919 25834 8508 1 9 . 1 1 175 175 SER H H 175 7.661 7.661 8.084 -0.423 25834 8509 1 9 . 1 1 176 176 SER N N 176 117.882 117.882 118.904 -1.022 25834 8510 1 9 . 1 1 176 176 SER HA H 176 4.698 4.698 4.189 0.509 25834 8511 1 9 . 1 1 176 176 SER C C 176 173.521 173.521 175.325 -1.804 25834 8512 1 9 . 1 1 176 176 SER CA C 176 58.601 58.601 60.693 -2.091 25834 8513 1 9 . 1 1 176 176 SER CB C 176 64.242 64.242 63.511 0.731 25834 8514 1 9 . 1 1 176 176 SER H H 176 8.265 8.265 8.488 -0.223 25834 8515 1 10 . 1 1 1 1 MET N N 1 121.215 121.215 122.006 -0.791 25834 8516 1 10 . 1 1 1 1 MET HA H 1 4.416 4.416 4.700 -0.284 25834 8517 1 10 . 1 1 1 1 MET C C 1 176.061 176.061 174.954 1.107 25834 8518 1 10 . 1 1 1 1 MET CA C 1 55.827 55.827 54.855 0.972 25834 8519 1 10 . 1 1 1 1 MET CB C 1 32.869 32.869 35.082 -2.213 25834 8520 1 10 . 1 1 1 1 MET H H 1 8.477 8.477 8.312 0.165 25834 8521 1 10 . 1 1 2 2 VAL N N 2 122.483 122.483 124.217 -1.734 25834 8522 1 10 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.342 -0.175 25834 8523 1 10 . 1 1 2 2 VAL C C 2 176.225 176.225 175.797 0.428 25834 8524 1 10 . 1 1 2 2 VAL CA C 2 62.156 62.156 61.927 0.229 25834 8525 1 10 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.347 0.508 25834 8526 1 10 . 1 1 2 2 VAL H H 2 8.213 8.213 8.274 -0.061 25834 8527 1 10 . 1 1 3 3 THR N N 3 117.952 117.952 119.420 -1.468 25834 8528 1 10 . 1 1 3 3 THR HA H 3 4.353 4.353 4.582 -0.229 25834 8529 1 10 . 1 1 3 3 THR C C 3 174.614 174.614 173.807 0.807 25834 8530 1 10 . 1 1 3 3 THR CA C 3 61.571 61.571 61.436 0.135 25834 8531 1 10 . 1 1 3 3 THR CB C 3 69.948 69.948 70.046 -0.098 25834 8532 1 10 . 1 1 3 3 THR H H 3 8.228 8.228 8.317 -0.089 25834 8533 1 10 . 1 1 4 4 SER N N 4 118.076 118.076 121.401 -3.325 25834 8534 1 10 . 1 1 4 4 SER HA H 4 4.490 4.490 4.895 -0.405 25834 8535 1 10 . 1 1 4 4 SER C C 4 174.867 174.867 174.359 0.508 25834 8536 1 10 . 1 1 4 4 SER CA C 4 58.451 58.451 57.549 0.902 25834 8537 1 10 . 1 1 4 4 SER CB C 4 63.853 63.853 64.588 -0.735 25834 8538 1 10 . 1 1 4 4 SER H H 4 8.350 8.350 8.422 -0.072 25834 8539 1 10 . 1 1 5 5 THR N N 5 115.176 115.176 115.833 -0.657 25834 8540 1 10 . 1 1 5 5 THR HA H 5 4.277 4.277 4.391 -0.114 25834 8541 1 10 . 1 1 5 5 THR C C 5 175.173 175.173 175.009 0.164 25834 8542 1 10 . 1 1 5 5 THR CA C 5 62.114 62.114 62.047 0.067 25834 8543 1 10 . 1 1 5 5 THR CB C 5 69.702 69.702 69.073 0.629 25834 8544 1 10 . 1 1 5 5 THR H H 5 8.125 8.125 8.203 -0.078 25834 8545 1 10 . 1 1 6 6 GLY N N 6 110.725 110.725 109.956 0.769 25834 8546 1 10 . 1 1 6 6 GLY C C 6 173.939 173.939 174.222 -0.283 25834 8547 1 10 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.156 0.097 25834 8548 1 10 . 1 1 6 6 GLY H H 6 8.289 8.289 7.929 0.360 25834 8549 1 10 . 1 1 7 7 LEU N N 7 121.627 121.627 119.533 2.094 25834 8550 1 10 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.151 0.095 25834 8551 1 10 . 1 1 7 7 LEU C C 7 177.317 177.317 177.084 0.233 25834 8552 1 10 . 1 1 7 7 LEU CA C 7 55.509 55.509 55.210 0.299 25834 8553 1 10 . 1 1 7 7 LEU CB C 7 42.507 42.507 41.885 0.622 25834 8554 1 10 . 1 1 7 7 LEU H H 7 7.984 7.984 7.841 0.143 25834 8555 1 10 . 1 1 8 8 LEU N N 8 122.317 122.317 127.257 -4.940 25834 8556 1 10 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.835 -0.531 25834 8557 1 10 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.758 0.531 25834 8558 1 10 . 1 1 8 8 LEU CB C 8 42.314 42.314 44.885 -2.571 25834 8559 1 10 . 1 1 8 8 LEU H H 8 8.163 8.163 8.038 0.125 25834 8560 1 10 . 1 1 9 9 SER N N 9 116.218 116.218 115.691 0.527 25834 8561 1 10 . 1 1 9 9 SER HA H 9 4.315 4.315 4.834 -0.519 25834 8562 1 10 . 1 1 9 9 SER CA C 9 58.253 58.253 57.997 0.256 25834 8563 1 10 . 1 1 9 9 SER CB C 9 63.786 63.786 64.319 -0.533 25834 8564 1 10 . 1 1 9 9 SER H H 9 8.088 8.088 8.286 -0.198 25834 8565 1 10 . 1 1 10 10 ARG N N 10 122.939 122.939 126.120 -3.181 25834 8566 1 10 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.763 -0.458 25834 8567 1 10 . 1 1 10 10 ARG C C 10 177.734 177.734 175.025 2.709 25834 8568 1 10 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.642 0.647 25834 8569 1 10 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.131 -0.540 25834 8570 1 10 . 1 1 10 10 ARG H H 10 8.211 8.211 8.384 -0.173 25834 8571 1 10 . 1 1 11 11 VAL N N 11 120.980 120.980 121.784 -0.804 25834 8572 1 10 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.389 -0.384 25834 8573 1 10 . 1 1 11 11 VAL C C 11 175.793 175.793 175.509 0.284 25834 8574 1 10 . 1 1 11 11 VAL CA C 11 62.353 62.353 62.509 -0.156 25834 8575 1 10 . 1 1 11 11 VAL CB C 11 32.668 32.668 32.792 -0.124 25834 8576 1 10 . 1 1 11 11 VAL H H 11 8.006 8.006 8.512 -0.506 25834 8577 1 10 . 1 1 12 12 ALA N N 12 127.736 127.736 130.406 -2.670 25834 8578 1 10 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.591 -0.359 25834 8579 1 10 . 1 1 12 12 ALA C C 12 177.174 177.174 175.843 1.331 25834 8580 1 10 . 1 1 12 12 ALA CA C 12 52.429 52.429 51.886 0.543 25834 8581 1 10 . 1 1 12 12 ALA CB C 12 19.227 19.227 20.196 -0.969 25834 8582 1 10 . 1 1 12 12 ALA H H 12 8.246 8.246 8.342 -0.096 25834 8583 1 10 . 1 1 13 13 ALA N N 13 123.061 123.061 125.705 -2.644 25834 8584 1 10 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.769 -0.532 25834 8585 1 10 . 1 1 13 13 ALA C C 13 177.800 177.800 176.514 1.286 25834 8586 1 10 . 1 1 13 13 ALA CA C 13 52.445 52.445 52.222 0.223 25834 8587 1 10 . 1 1 13 13 ALA CB C 13 19.115 19.115 19.530 -0.416 25834 8588 1 10 . 1 1 13 13 ALA H H 13 8.158 8.158 8.286 -0.128 25834 8589 1 10 . 1 1 14 14 VAL N N 14 119.391 119.391 123.544 -4.153 25834 8590 1 10 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.246 -0.246 25834 8591 1 10 . 1 1 14 14 VAL C C 14 176.284 176.284 175.355 0.929 25834 8592 1 10 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.197 0.140 25834 8593 1 10 . 1 1 14 14 VAL CB C 14 32.739 32.739 31.755 0.984 25834 8594 1 10 . 1 1 14 14 VAL H H 14 7.988 7.988 8.462 -0.474 25834 8595 1 10 . 1 1 15 15 GLU N N 15 124.744 124.744 127.356 -2.612 25834 8596 1 10 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.644 -0.444 25834 8597 1 10 . 1 1 15 15 GLU C C 15 176.542 176.542 175.849 0.693 25834 8598 1 10 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.728 0.813 25834 8599 1 10 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.587 -0.059 25834 8600 1 10 . 1 1 15 15 GLU H H 15 8.369 8.369 8.645 -0.276 25834 8601 1 10 . 1 1 16 16 LYS N N 16 122.786 122.786 121.549 1.237 25834 8602 1 10 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.800 -0.603 25834 8603 1 10 . 1 1 16 16 LYS C C 16 176.218 176.218 175.402 0.816 25834 8604 1 10 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.755 0.498 25834 8605 1 10 . 1 1 16 16 LYS CB C 16 32.898 32.898 34.187 -1.289 25834 8606 1 10 . 1 1 16 16 LYS H H 16 8.264 8.264 8.660 -0.396 25834 8607 1 10 . 1 1 17 17 ALA N N 17 125.458 125.458 123.410 2.048 25834 8608 1 10 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.695 -0.511 25834 8609 1 10 . 1 1 17 17 ALA C C 17 177.579 177.579 175.297 2.282 25834 8610 1 10 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.973 0.543 25834 8611 1 10 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.434 -1.329 25834 8612 1 10 . 1 1 17 17 ALA H H 17 8.226 8.226 8.352 -0.126 25834 8613 1 10 . 1 1 18 18 ALA N N 18 123.616 123.616 124.160 -0.544 25834 8614 1 10 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.552 -0.328 25834 8615 1 10 . 1 1 18 18 ALA CA C 18 52.520 52.520 52.173 0.347 25834 8616 1 10 . 1 1 18 18 ALA CB C 18 19.127 19.127 21.274 -2.147 25834 8617 1 10 . 1 1 18 18 ALA H H 18 8.153 8.153 8.225 -0.071 25834 8618 1 10 . 1 1 19 19 GLU N N 19 120.282 120.282 121.980 -1.698 25834 8619 1 10 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.628 -0.429 25834 8620 1 10 . 1 1 19 19 GLU CA C 19 56.370 56.370 55.787 0.583 25834 8621 1 10 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.376 0.261 25834 8622 1 10 . 1 1 19 19 GLU H H 19 8.209 8.209 8.854 -0.645 25834 8623 1 10 . 1 1 20 20 ILE N N 20 122.046 122.046 125.310 -3.264 25834 8624 1 10 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.300 -0.240 25834 8625 1 10 . 1 1 20 20 ILE C C 20 175.806 175.806 176.090 -0.284 25834 8626 1 10 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.596 -0.616 25834 8627 1 10 . 1 1 20 20 ILE CB C 20 38.690 38.690 37.465 1.225 25834 8628 1 10 . 1 1 20 20 ILE H H 20 8.038 8.038 8.667 -0.629 25834 8629 1 10 . 1 1 21 21 ALA N N 21 128.175 128.175 132.050 -3.875 25834 8630 1 10 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.809 -0.624 25834 8631 1 10 . 1 1 21 21 ALA C C 21 175.942 175.942 175.181 0.761 25834 8632 1 10 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.443 1.004 25834 8633 1 10 . 1 1 21 21 ALA CB C 21 19.297 19.297 21.581 -2.284 25834 8634 1 10 . 1 1 21 21 ALA H H 21 8.224 8.224 8.309 -0.085 25834 8635 1 10 . 1 1 22 22 LYS N N 22 120.107 120.107 120.636 -0.529 25834 8636 1 10 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.882 -0.655 25834 8637 1 10 . 1 1 22 22 LYS C C 22 174.303 174.303 174.596 -0.293 25834 8638 1 10 . 1 1 22 22 LYS CA C 22 53.397 53.397 53.937 -0.540 25834 8639 1 10 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.154 2.305 25834 8640 1 10 . 1 1 22 22 LYS H H 22 7.903 7.903 8.321 -0.418 25834 8641 1 10 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.355 -0.012 25834 8642 1 10 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.707 -0.014 25834 8643 1 10 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.284 -0.224 25834 8644 1 10 . 1 1 27 27 LYS N N 27 121.752 121.752 118.971 2.781 25834 8645 1 10 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.589 -0.375 25834 8646 1 10 . 1 1 27 27 LYS C C 27 176.450 176.450 176.317 0.133 25834 8647 1 10 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.338 0.871 25834 8648 1 10 . 1 1 27 27 LYS CB C 27 32.935 32.935 34.066 -1.131 25834 8649 1 10 . 1 1 27 27 LYS H H 27 8.253 8.253 8.200 0.053 25834 8650 1 10 . 1 1 28 28 VAL N N 28 123.000 123.000 117.667 5.333 25834 8651 1 10 . 1 1 28 28 VAL HA H 28 4.004 4.004 4.279 -0.275 25834 8652 1 10 . 1 1 28 28 VAL C C 28 175.672 175.672 175.266 0.406 25834 8653 1 10 . 1 1 28 28 VAL CA C 28 62.268 62.268 60.783 1.484 25834 8654 1 10 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.664 0.218 25834 8655 1 10 . 1 1 28 28 VAL H H 28 8.128 8.128 8.159 -0.031 25834 8656 1 10 . 1 1 29 29 VAL N N 29 126.899 126.899 120.607 6.292 25834 8657 1 10 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.335 -0.464 25834 8658 1 10 . 1 1 29 29 VAL C C 29 174.835 174.835 174.992 -0.157 25834 8659 1 10 . 1 1 29 29 VAL CA C 29 62.288 62.288 61.586 0.702 25834 8660 1 10 . 1 1 29 29 VAL CB C 29 32.811 32.811 34.132 -1.321 25834 8661 1 10 . 1 1 29 29 VAL H H 29 8.144 8.144 8.043 0.101 25834 8662 1 10 . 1 1 30 30 GLU N N 30 125.745 125.745 125.076 0.669 25834 8663 1 10 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.892 -0.705 25834 8664 1 10 . 1 1 30 30 GLU C C 30 177.203 177.203 174.996 2.207 25834 8665 1 10 . 1 1 30 30 GLU CA C 30 55.688 55.688 55.493 0.195 25834 8666 1 10 . 1 1 30 30 GLU CB C 30 30.501 30.501 31.688 -1.187 25834 8667 1 10 . 1 1 30 30 GLU H H 30 8.239 8.239 8.536 -0.297 25834 8668 1 10 . 1 1 31 31 LEU N N 31 125.229 125.229 121.458 3.771 25834 8669 1 10 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.714 0.113 25834 8670 1 10 . 1 1 31 31 LEU C C 31 178.237 178.237 176.568 1.669 25834 8671 1 10 . 1 1 31 31 LEU CA C 31 54.633 54.633 53.637 0.996 25834 8672 1 10 . 1 1 31 31 LEU CB C 31 43.356 43.356 42.902 0.454 25834 8673 1 10 . 1 1 31 31 LEU H H 31 8.513 8.513 8.215 0.298 25834 8674 1 10 . 1 1 32 32 THR N N 32 113.162 113.162 113.660 -0.498 25834 8675 1 10 . 1 1 32 32 THR HA H 32 4.184 4.184 4.592 -0.408 25834 8676 1 10 . 1 1 32 32 THR C C 32 174.923 174.923 175.098 -0.175 25834 8677 1 10 . 1 1 32 32 THR CA C 32 61.002 61.002 60.840 0.162 25834 8678 1 10 . 1 1 32 32 THR CB C 32 70.848 70.848 69.746 1.102 25834 8679 1 10 . 1 1 32 32 THR H H 32 8.444 8.444 8.147 0.297 25834 8680 1 10 . 1 1 33 33 GLU N N 33 119.849 119.849 119.625 0.224 25834 8681 1 10 . 1 1 33 33 GLU HA H 33 3.756 3.756 4.075 -0.319 25834 8682 1 10 . 1 1 33 33 GLU C C 33 178.906 178.906 178.438 0.468 25834 8683 1 10 . 1 1 33 33 GLU CA C 33 59.855 59.855 58.847 1.008 25834 8684 1 10 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.120 -0.217 25834 8685 1 10 . 1 1 33 33 GLU H H 33 8.614 8.614 8.717 -0.103 25834 8686 1 10 . 1 1 34 34 ALA N N 34 118.382 118.382 122.662 -4.280 25834 8687 1 10 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.326 -0.356 25834 8688 1 10 . 1 1 34 34 ALA C C 34 180.554 180.554 179.122 1.432 25834 8689 1 10 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.652 0.931 25834 8690 1 10 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.001 0.775 25834 8691 1 10 . 1 1 34 34 ALA H H 34 8.102 8.102 8.257 -0.155 25834 8692 1 10 . 1 1 35 35 ALA N N 35 121.658 121.658 120.890 0.768 25834 8693 1 10 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.073 -0.228 25834 8694 1 10 . 1 1 35 35 ALA C C 35 178.231 178.231 178.519 -0.288 25834 8695 1 10 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.908 -0.402 25834 8696 1 10 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.340 0.805 25834 8697 1 10 . 1 1 35 35 ALA H H 35 7.456 7.456 8.305 -0.849 25834 8698 1 10 . 1 1 36 36 LYS N N 36 114.479 114.479 115.126 -0.647 25834 8699 1 10 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.214 -0.358 25834 8700 1 10 . 1 1 36 36 LYS C C 36 176.884 176.884 177.901 -1.017 25834 8701 1 10 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.020 0.780 25834 8702 1 10 . 1 1 36 36 LYS CB C 36 32.820 32.820 32.053 0.767 25834 8703 1 10 . 1 1 36 36 LYS H H 36 7.897 7.897 7.681 0.216 25834 8704 1 10 . 1 1 37 37 GLN N N 37 114.203 114.203 119.462 -5.259 25834 8705 1 10 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.198 0.002 25834 8706 1 10 . 1 1 37 37 GLN C C 37 176.478 176.478 176.785 -0.307 25834 8707 1 10 . 1 1 37 37 GLN CA C 37 55.119 55.119 57.765 -2.646 25834 8708 1 10 . 1 1 37 37 GLN CB C 37 28.383 28.383 29.700 -1.317 25834 8709 1 10 . 1 1 37 37 GLN H H 37 6.970 6.970 7.778 -0.808 25834 8710 1 10 . 1 1 38 38 LEU N N 38 120.478 120.478 118.128 2.350 25834 8711 1 10 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.788 -0.943 25834 8712 1 10 . 1 1 38 38 LEU C C 38 171.820 171.820 175.131 -3.311 25834 8713 1 10 . 1 1 38 38 LEU CA C 38 53.862 53.862 52.134 1.728 25834 8714 1 10 . 1 1 38 38 LEU CB C 38 40.017 40.017 40.627 -0.610 25834 8715 1 10 . 1 1 38 38 LEU H H 38 7.155 7.155 7.758 -0.603 25834 8716 1 10 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.499 -0.174 25834 8717 1 10 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.135 0.815 25834 8718 1 10 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.332 -0.250 25834 8719 1 10 . 1 1 40 40 GLN N N 40 125.695 125.695 120.756 4.939 25834 8720 1 10 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.250 -0.466 25834 8721 1 10 . 1 1 40 40 GLN C C 40 177.994 177.994 177.019 0.975 25834 8722 1 10 . 1 1 40 40 GLN CA C 40 59.489 59.489 56.014 3.475 25834 8723 1 10 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.447 -1.320 25834 8724 1 10 . 1 1 40 40 GLN H H 40 9.245 9.245 8.470 0.775 25834 8725 1 10 . 1 1 41 41 HIS N N 41 125.870 125.870 119.452 6.418 25834 8726 1 10 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.198 0.331 25834 8727 1 10 . 1 1 41 41 HIS CA C 41 58.408 58.408 60.197 -1.789 25834 8728 1 10 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.784 -0.395 25834 8729 1 10 . 1 1 41 41 HIS H H 41 11.289 11.289 8.853 2.436 25834 8730 1 10 . 1 1 42 42 ILE N N 42 119.609 119.609 115.347 4.262 25834 8731 1 10 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.812 0.055 25834 8732 1 10 . 1 1 42 42 ILE C C 42 178.715 178.715 177.104 1.611 25834 8733 1 10 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.701 -3.578 25834 8734 1 10 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.570 -2.022 25834 8735 1 10 . 1 1 42 42 ILE H H 42 6.700 6.700 7.990 -1.290 25834 8736 1 10 . 1 1 43 43 ILE N N 43 122.532 122.532 120.129 2.403 25834 8737 1 10 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.959 -0.460 25834 8738 1 10 . 1 1 43 43 ILE C C 43 178.325 178.325 177.937 0.388 25834 8739 1 10 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.089 2.448 25834 8740 1 10 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.535 0.703 25834 8741 1 10 . 1 1 43 43 ILE H H 43 7.673 7.673 7.694 -0.021 25834 8742 1 10 . 1 1 44 44 GLY N N 44 101.559 101.559 107.370 -5.811 25834 8743 1 10 . 1 1 44 44 GLY C C 44 174.914 174.914 174.902 0.012 25834 8744 1 10 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.899 -0.536 25834 8745 1 10 . 1 1 44 44 GLY H H 44 7.938 7.938 8.018 -0.080 25834 8746 1 10 . 1 1 45 45 VAL N N 45 106.862 106.862 118.831 -11.969 25834 8747 1 10 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.310 0.448 25834 8748 1 10 . 1 1 45 45 VAL C C 45 175.397 175.397 175.897 -0.500 25834 8749 1 10 . 1 1 45 45 VAL CA C 45 60.531 60.531 61.602 -1.071 25834 8750 1 10 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.663 0.361 25834 8751 1 10 . 1 1 45 45 VAL H H 45 6.843 6.843 7.176 -0.333 25834 8752 1 10 . 1 1 46 46 THR N N 46 117.226 117.226 114.762 2.464 25834 8753 1 10 . 1 1 46 46 THR HA H 46 4.447 4.447 4.109 0.338 25834 8754 1 10 . 1 1 46 46 THR C C 46 172.087 172.087 174.256 -2.169 25834 8755 1 10 . 1 1 46 46 THR CA C 46 62.571 62.571 62.767 -0.196 25834 8756 1 10 . 1 1 46 46 THR CB C 46 68.863 68.863 69.275 -0.412 25834 8757 1 10 . 1 1 46 46 THR H H 46 7.093 7.093 7.295 -0.202 25834 8758 1 10 . 1 1 47 47 ASP N N 47 127.436 127.436 122.421 5.015 25834 8759 1 10 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.827 -0.210 25834 8760 1 10 . 1 1 47 47 ASP C C 47 174.684 174.684 176.755 -2.071 25834 8761 1 10 . 1 1 47 47 ASP CA C 47 52.604 52.604 52.719 -0.115 25834 8762 1 10 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.459 1.278 25834 8763 1 10 . 1 1 47 47 ASP H H 47 7.612 7.612 8.512 -0.900 25834 8764 1 10 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.402 -0.413 25834 8765 1 10 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.173 -0.145 25834 8766 1 10 . 1 1 48 48 PRO CB C 48 32.280 32.280 31.968 0.312 25834 8767 1 10 . 1 1 49 49 THR N N 49 114.121 114.121 111.504 2.617 25834 8768 1 10 . 1 1 49 49 THR HA H 49 4.189 4.189 4.355 -0.166 25834 8769 1 10 . 1 1 49 49 THR C C 49 177.000 177.000 176.328 0.672 25834 8770 1 10 . 1 1 49 49 THR CA C 49 66.844 66.844 64.269 2.575 25834 8771 1 10 . 1 1 49 49 THR CB C 49 67.824 67.824 68.803 -0.979 25834 8772 1 10 . 1 1 49 49 THR H H 49 7.942 7.942 8.400 -0.458 25834 8773 1 10 . 1 1 50 50 LYS N N 50 123.787 123.787 122.930 0.857 25834 8774 1 10 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.403 -0.486 25834 8775 1 10 . 1 1 50 50 LYS C C 50 177.547 177.547 178.616 -1.069 25834 8776 1 10 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.585 0.147 25834 8777 1 10 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.189 1.126 25834 8778 1 10 . 1 1 50 50 LYS H H 50 7.070 7.070 7.920 -0.850 25834 8779 1 10 . 1 1 51 51 LEU N N 51 115.307 115.307 117.518 -2.211 25834 8780 1 10 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.260 -0.455 25834 8781 1 10 . 1 1 51 51 LEU C C 51 178.314 178.314 177.802 0.512 25834 8782 1 10 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.522 0.472 25834 8783 1 10 . 1 1 51 51 LEU CB C 51 41.216 41.216 40.717 0.499 25834 8784 1 10 . 1 1 51 51 LEU H H 51 7.439 7.439 7.913 -0.474 25834 8785 1 10 . 1 1 52 52 ASN N N 52 115.979 115.979 118.539 -2.560 25834 8786 1 10 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.594 -0.322 25834 8787 1 10 . 1 1 52 52 ASN C C 52 178.387 178.387 177.731 0.656 25834 8788 1 10 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.522 -0.357 25834 8789 1 10 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.692 -0.801 25834 8790 1 10 . 1 1 52 52 ASN H H 52 8.533 8.533 7.856 0.677 25834 8791 1 10 . 1 1 53 53 ALA N N 53 119.261 119.261 122.679 -3.418 25834 8792 1 10 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.241 -0.011 25834 8793 1 10 . 1 1 53 53 ALA C C 53 179.957 179.957 179.591 0.366 25834 8794 1 10 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.697 -0.660 25834 8795 1 10 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.484 0.838 25834 8796 1 10 . 1 1 53 53 ALA H H 53 7.681 7.681 7.649 0.032 25834 8797 1 10 . 1 1 54 54 GLN N N 54 111.586 111.586 116.322 -4.736 25834 8798 1 10 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.661 -0.255 25834 8799 1 10 . 1 1 54 54 GLN C C 54 178.500 178.500 177.677 0.823 25834 8800 1 10 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.748 0.045 25834 8801 1 10 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.511 -0.080 25834 8802 1 10 . 1 1 54 54 GLN H H 54 7.905 7.905 7.811 0.094 25834 8803 1 10 . 1 1 55 55 VAL N N 55 120.362 120.362 119.801 0.561 25834 8804 1 10 . 1 1 55 55 VAL HA H 55 4.205 4.205 3.872 0.333 25834 8805 1 10 . 1 1 55 55 VAL C C 55 174.795 174.795 176.006 -1.211 25834 8806 1 10 . 1 1 55 55 VAL CA C 55 64.682 64.682 64.665 0.017 25834 8807 1 10 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.580 -1.193 25834 8808 1 10 . 1 1 55 55 VAL H H 55 8.137 8.137 7.718 0.419 25834 8809 1 10 . 1 1 56 56 SER N N 56 114.478 114.478 112.592 1.886 25834 8810 1 10 . 1 1 56 56 SER HA H 56 3.882 3.882 4.245 -0.363 25834 8811 1 10 . 1 1 56 56 SER C C 56 174.256 174.256 174.567 -0.311 25834 8812 1 10 . 1 1 56 56 SER CA C 56 60.480 60.480 58.971 1.509 25834 8813 1 10 . 1 1 56 56 SER CB C 56 62.427 62.427 62.812 -0.385 25834 8814 1 10 . 1 1 56 56 SER H H 56 7.899 7.899 8.018 -0.119 25834 8815 1 10 . 1 1 57 57 TYR N N 57 117.315 117.315 118.506 -1.191 25834 8816 1 10 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.467 -0.130 25834 8817 1 10 . 1 1 57 57 TYR C C 57 175.570 175.570 175.342 0.228 25834 8818 1 10 . 1 1 57 57 TYR CA C 57 58.673 58.673 59.392 -0.719 25834 8819 1 10 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.912 -0.648 25834 8820 1 10 . 1 1 57 57 TYR H H 57 7.662 7.662 7.776 -0.114 25834 8821 1 10 . 1 1 58 58 PHE N N 58 118.544 118.544 116.737 1.807 25834 8822 1 10 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.736 -0.330 25834 8823 1 10 . 1 1 58 58 PHE C C 58 171.715 171.715 174.327 -2.612 25834 8824 1 10 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.924 0.565 25834 8825 1 10 . 1 1 58 58 PHE CB C 58 41.401 41.401 42.107 -0.706 25834 8826 1 10 . 1 1 58 58 PHE H H 58 7.727 7.727 8.680 -0.953 25834 8827 1 10 . 1 1 59 59 GLN N N 59 127.699 127.699 121.000 6.699 25834 8828 1 10 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.605 -0.888 25834 8829 1 10 . 1 1 59 59 GLN C C 59 172.421 172.421 175.666 -3.245 25834 8830 1 10 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.271 -0.059 25834 8831 1 10 . 1 1 59 59 GLN CB C 59 26.945 26.945 29.897 -2.952 25834 8832 1 10 . 1 1 59 59 GLN H H 59 7.909 7.909 8.437 -0.528 25834 8833 1 10 . 1 1 60 60 CYS N N 60 125.668 125.668 125.180 0.488 25834 8834 1 10 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.220 -0.942 25834 8835 1 10 . 1 1 60 60 CYS C C 60 171.317 171.317 173.987 -2.670 25834 8836 1 10 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.713 0.710 25834 8837 1 10 . 1 1 60 60 CYS CB C 60 26.588 26.588 27.434 -0.846 25834 8838 1 10 . 1 1 60 60 CYS H H 60 6.802 6.802 8.717 -1.915 25834 8839 1 10 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.493 -0.391 25834 8840 1 10 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.629 -0.159 25834 8841 1 10 . 1 1 62 62 PRO CB C 62 31.620 31.620 32.119 -0.499 25834 8842 1 10 . 1 1 63 63 TRP N N 63 110.609 110.609 114.871 -4.262 25834 8843 1 10 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.607 -0.175 25834 8844 1 10 . 1 1 63 63 TRP C C 63 176.764 176.764 174.915 1.849 25834 8845 1 10 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.408 -1.399 25834 8846 1 10 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.300 0.058 25834 8847 1 10 . 1 1 63 63 TRP H H 63 6.172 6.172 7.293 -1.121 25834 8848 1 10 . 1 1 64 64 ALA N N 64 124.983 124.983 121.783 3.200 25834 8849 1 10 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.466 0.950 25834 8850 1 10 . 1 1 64 64 ALA C C 64 176.025 176.025 177.067 -1.042 25834 8851 1 10 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.669 -0.032 25834 8852 1 10 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.057 2.298 25834 8853 1 10 . 1 1 64 64 ALA H H 64 7.038 7.038 6.570 0.468 25834 8854 1 10 . 1 1 65 65 ALA N N 65 120.111 120.111 125.065 -4.954 25834 8855 1 10 . 1 1 65 65 ALA HA H 65 4.605 4.605 3.993 0.612 25834 8856 1 10 . 1 1 65 65 ALA C C 65 175.012 175.012 176.077 -1.065 25834 8857 1 10 . 1 1 65 65 ALA CA C 65 50.868 50.868 52.931 -2.063 25834 8858 1 10 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.469 6.253 25834 8859 1 10 . 1 1 65 65 ALA H H 65 8.344 8.344 8.258 0.086 25834 8860 1 10 . 1 1 66 66 LEU N N 66 118.667 118.667 119.162 -0.495 25834 8861 1 10 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.572 -0.589 25834 8862 1 10 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.316 0.871 25834 8863 1 10 . 1 1 66 66 LEU CB C 66 42.535 42.535 42.959 -0.424 25834 8864 1 10 . 1 1 66 66 LEU H H 66 8.272 8.272 7.963 0.309 25834 8865 1 10 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.395 -1.244 25834 8866 1 10 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.536 0.584 25834 8867 1 10 . 1 1 67 67 PRO CB C 67 31.810 31.810 32.146 -0.336 25834 8868 1 10 . 1 1 68 68 SER N N 68 118.916 118.916 115.106 3.810 25834 8869 1 10 . 1 1 68 68 SER HA H 68 4.197 4.197 4.553 -0.356 25834 8870 1 10 . 1 1 68 68 SER C C 68 173.454 173.454 173.192 0.262 25834 8871 1 10 . 1 1 68 68 SER CA C 68 57.667 57.667 58.856 -1.189 25834 8872 1 10 . 1 1 68 68 SER CB C 68 63.129 63.129 63.777 -0.648 25834 8873 1 10 . 1 1 68 68 SER H H 68 6.468 6.468 8.595 -2.127 25834 8874 1 10 . 1 1 69 69 VAL N N 69 119.159 119.159 119.433 -0.274 25834 8875 1 10 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.214 -0.008 25834 8876 1 10 . 1 1 69 69 VAL C C 69 174.162 174.162 174.071 0.091 25834 8877 1 10 . 1 1 69 69 VAL CA C 69 60.536 60.536 61.046 -0.510 25834 8878 1 10 . 1 1 69 69 VAL CB C 69 34.809 34.809 34.425 0.384 25834 8879 1 10 . 1 1 69 69 VAL H H 69 6.702 6.702 7.306 -0.604 25834 8880 1 10 . 1 1 70 70 ALA N N 70 128.571 128.571 129.181 -0.610 25834 8881 1 10 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.666 -0.442 25834 8882 1 10 . 1 1 70 70 ALA C C 70 176.888 176.888 176.768 0.120 25834 8883 1 10 . 1 1 70 70 ALA CA C 70 52.890 52.890 52.087 0.803 25834 8884 1 10 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.978 -0.260 25834 8885 1 10 . 1 1 70 70 ALA H H 70 8.486 8.486 8.430 0.056 25834 8886 1 10 . 1 1 71 71 CYS N N 71 120.365 120.365 121.060 -0.695 25834 8887 1 10 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.029 0.417 25834 8888 1 10 . 1 1 71 71 CYS C C 71 173.126 173.126 173.263 -0.137 25834 8889 1 10 . 1 1 71 71 CYS CA C 71 58.111 58.111 56.764 1.347 25834 8890 1 10 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.700 0.033 25834 8891 1 10 . 1 1 71 71 CYS H H 71 8.222 8.222 8.613 -0.391 25834 8892 1 10 . 1 1 72 72 HIS N N 72 114.002 114.002 114.960 -0.958 25834 8893 1 10 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.051 -0.198 25834 8894 1 10 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.496 0.438 25834 8895 1 10 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.245 -0.786 25834 8896 1 10 . 1 1 72 72 HIS H H 72 9.033 9.033 8.377 0.656 25834 8897 1 10 . 1 1 73 73 LEU N N 73 117.312 117.312 120.539 -3.227 25834 8898 1 10 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.588 0.435 25834 8899 1 10 . 1 1 73 73 LEU C C 73 176.776 176.776 174.922 1.854 25834 8900 1 10 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.319 -0.685 25834 8901 1 10 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.387 -3.025 25834 8902 1 10 . 1 1 73 73 LEU H H 73 9.300 9.300 8.216 1.084 25834 8903 1 10 . 1 1 74 74 GLN N N 74 125.734 125.734 124.662 1.072 25834 8904 1 10 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.650 -0.065 25834 8905 1 10 . 1 1 74 74 GLN C C 74 175.495 175.495 173.915 1.580 25834 8906 1 10 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.245 0.720 25834 8907 1 10 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.794 -1.277 25834 8908 1 10 . 1 1 74 74 GLN H H 74 9.117 9.117 8.430 0.687 25834 8909 1 10 . 1 1 75 75 CYS N N 75 129.141 129.141 123.956 5.185 25834 8910 1 10 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.662 -0.615 25834 8911 1 10 . 1 1 75 75 CYS C C 75 173.524 173.524 174.758 -1.234 25834 8912 1 10 . 1 1 75 75 CYS CA C 75 57.494 57.494 55.235 2.259 25834 8913 1 10 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.225 -1.932 25834 8914 1 10 . 1 1 75 75 CYS H H 75 9.362 9.362 8.766 0.596 25834 8915 1 10 . 1 1 76 76 THR N N 76 120.173 120.173 114.608 5.565 25834 8916 1 10 . 1 1 76 76 THR HA H 76 5.014 5.014 4.804 0.210 25834 8917 1 10 . 1 1 76 76 THR C C 76 172.958 172.958 174.247 -1.289 25834 8918 1 10 . 1 1 76 76 THR CA C 76 59.790 59.790 60.080 -0.290 25834 8919 1 10 . 1 1 76 76 THR CB C 76 72.870 72.870 70.422 2.448 25834 8920 1 10 . 1 1 76 76 THR H H 76 8.477 8.477 8.025 0.452 25834 8921 1 10 . 1 1 77 77 ARG N N 77 121.783 121.783 118.843 2.940 25834 8922 1 10 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.359 0.053 25834 8923 1 10 . 1 1 77 77 ARG C C 77 175.808 175.808 174.818 0.990 25834 8924 1 10 . 1 1 77 77 ARG CA C 77 55.721 55.721 56.001 -0.280 25834 8925 1 10 . 1 1 77 77 ARG CB C 77 33.164 33.164 31.694 1.470 25834 8926 1 10 . 1 1 77 77 ARG H H 77 8.769 8.769 7.960 0.808 25834 8927 1 10 . 1 1 78 78 ASP N N 78 130.879 130.879 124.175 6.704 25834 8928 1 10 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.341 -0.151 25834 8929 1 10 . 1 1 78 78 ASP C C 78 175.472 175.472 176.033 -0.561 25834 8930 1 10 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.406 0.303 25834 8931 1 10 . 1 1 78 78 ASP CB C 78 39.661 39.661 40.041 -0.381 25834 8932 1 10 . 1 1 78 78 ASP H H 78 9.499 9.499 9.036 0.463 25834 8933 1 10 . 1 1 79 79 GLY N N 79 102.423 102.423 104.260 -1.837 25834 8934 1 10 . 1 1 79 79 GLY C C 79 173.613 173.613 173.596 0.017 25834 8935 1 10 . 1 1 79 79 GLY CA C 79 44.962 44.962 44.953 0.009 25834 8936 1 10 . 1 1 79 79 GLY H H 79 8.361 8.361 8.318 0.043 25834 8937 1 10 . 1 1 80 80 LEU N N 80 123.754 123.754 121.631 2.123 25834 8938 1 10 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.662 0.325 25834 8939 1 10 . 1 1 80 80 LEU C C 80 174.659 174.659 174.883 -0.224 25834 8940 1 10 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.190 1.000 25834 8941 1 10 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.033 -0.980 25834 8942 1 10 . 1 1 80 80 LEU H H 80 7.775 7.775 7.599 0.176 25834 8943 1 10 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.398 0.169 25834 8944 1 10 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.556 0.304 25834 8945 1 10 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.745 1.715 25834 8946 1 10 . 1 1 82 82 LEU N N 82 126.089 126.089 125.100 0.989 25834 8947 1 10 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.410 0.579 25834 8948 1 10 . 1 1 82 82 LEU C C 82 174.148 174.148 176.150 -2.002 25834 8949 1 10 . 1 1 82 82 LEU CA C 82 52.635 52.635 53.167 -0.532 25834 8950 1 10 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.667 1.334 25834 8951 1 10 . 1 1 82 82 LEU H H 82 8.131 8.131 7.688 0.443 25834 8952 1 10 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.437 -0.247 25834 8953 1 10 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.785 1.055 25834 8954 1 10 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.614 0.466 25834 8955 1 10 . 1 1 84 84 ALA N N 84 123.359 123.359 126.248 -2.889 25834 8956 1 10 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.400 -0.209 25834 8957 1 10 . 1 1 84 84 ALA C C 84 178.112 178.112 176.651 1.461 25834 8958 1 10 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.163 -0.409 25834 8959 1 10 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.248 0.894 25834 8960 1 10 . 1 1 84 84 ALA H H 84 8.063 8.063 8.267 -0.204 25834 8961 1 10 . 1 1 85 85 LEU N N 85 118.757 118.757 121.919 -3.162 25834 8962 1 10 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.591 0.042 25834 8963 1 10 . 1 1 85 85 LEU C C 85 177.225 177.225 177.180 0.045 25834 8964 1 10 . 1 1 85 85 LEU CA C 85 53.358 53.358 53.821 -0.463 25834 8965 1 10 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.784 -3.615 25834 8966 1 10 . 1 1 85 85 LEU H H 85 8.393 8.393 8.254 0.139 25834 8967 1 10 . 1 1 86 86 GLY N N 86 112.143 112.143 110.677 1.466 25834 8968 1 10 . 1 1 86 86 GLY C C 86 173.704 173.704 174.674 -0.970 25834 8969 1 10 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.461 1.419 25834 8970 1 10 . 1 1 86 86 GLY H H 86 9.046 9.046 8.913 0.133 25834 8971 1 10 . 1 1 87 87 LEU N N 87 123.289 123.289 127.333 -4.044 25834 8972 1 10 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.216 0.315 25834 8973 1 10 . 1 1 87 87 LEU C C 87 177.568 177.568 177.441 0.127 25834 8974 1 10 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.626 -0.667 25834 8975 1 10 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.836 3.075 25834 8976 1 10 . 1 1 87 87 LEU H H 87 7.934 7.934 8.373 -0.439 25834 8977 1 10 . 1 1 88 88 HIS N N 88 116.221 116.221 118.401 -2.180 25834 8978 1 10 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.249 -0.378 25834 8979 1 10 . 1 1 88 88 HIS CA C 88 57.568 57.568 55.183 2.385 25834 8980 1 10 . 1 1 88 88 HIS CB C 88 31.776 31.776 29.935 1.841 25834 8981 1 10 . 1 1 88 88 HIS H H 88 9.253 9.253 8.177 1.076 25834 8982 1 10 . 1 1 89 89 ARG N N 89 118.280 118.280 120.198 -1.918 25834 8983 1 10 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.368 -0.328 25834 8984 1 10 . 1 1 89 89 ARG C C 89 175.205 175.205 176.581 -1.376 25834 8985 1 10 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.665 -0.134 25834 8986 1 10 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.578 1.225 25834 8987 1 10 . 1 1 89 89 ARG H H 89 7.300 7.300 8.194 -0.894 25834 8988 1 10 . 1 1 90 90 PHE N N 90 113.880 113.880 115.226 -1.346 25834 8989 1 10 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.657 0.746 25834 8990 1 10 . 1 1 90 90 PHE C C 90 172.663 172.663 173.699 -1.036 25834 8991 1 10 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.840 -2.485 25834 8992 1 10 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.175 -0.064 25834 8993 1 10 . 1 1 90 90 PHE H H 90 7.252 7.252 7.598 -0.346 25834 8994 1 10 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.397 0.452 25834 8995 1 10 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.223 -0.883 25834 8996 1 10 . 1 1 91 91 PRO CB C 91 32.970 32.970 32.029 0.941 25834 8997 1 10 . 1 1 92 92 PHE N N 92 104.480 104.480 113.066 -8.586 25834 8998 1 10 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.232 0.741 25834 8999 1 10 . 1 1 92 92 PHE C C 92 172.347 172.347 173.213 -0.866 25834 9000 1 10 . 1 1 92 92 PHE CA C 92 55.360 55.360 56.283 -0.923 25834 9001 1 10 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.640 0.107 25834 9002 1 10 . 1 1 92 92 PHE H H 92 6.117 6.117 6.892 -0.775 25834 9003 1 10 . 1 1 93 93 TYR N N 93 120.959 120.959 117.599 3.360 25834 9004 1 10 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.825 -0.456 25834 9005 1 10 . 1 1 93 93 TYR C C 93 173.417 173.417 173.672 -0.255 25834 9006 1 10 . 1 1 93 93 TYR CA C 93 57.388 57.388 56.738 0.650 25834 9007 1 10 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.300 2.150 25834 9008 1 10 . 1 1 93 93 TYR H H 93 9.370 9.370 8.723 0.647 25834 9009 1 10 . 1 1 94 94 LEU N N 94 123.359 123.359 123.738 -0.379 25834 9010 1 10 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.418 0.665 25834 9011 1 10 . 1 1 94 94 LEU C C 94 176.045 176.045 175.432 0.613 25834 9012 1 10 . 1 1 94 94 LEU CA C 94 54.107 54.107 53.994 0.113 25834 9013 1 10 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.035 1.139 25834 9014 1 10 . 1 1 94 94 LEU H H 94 10.272 10.272 8.821 1.451 25834 9015 1 10 . 1 1 95 95 PHE N N 95 119.493 119.493 123.532 -4.039 25834 9016 1 10 . 1 1 95 95 PHE HA H 95 5.237 5.237 5.028 0.209 25834 9017 1 10 . 1 1 95 95 PHE C C 95 175.870 175.870 175.167 0.703 25834 9018 1 10 . 1 1 95 95 PHE CA C 95 55.769 55.769 55.121 0.648 25834 9019 1 10 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.092 2.238 25834 9020 1 10 . 1 1 95 95 PHE H H 95 8.761 8.761 8.776 -0.015 25834 9021 1 10 . 1 1 96 96 GLY N N 96 109.374 109.374 110.520 -1.146 25834 9022 1 10 . 1 1 96 96 GLY C C 96 170.712 170.712 172.747 -2.035 25834 9023 1 10 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.101 0.285 25834 9024 1 10 . 1 1 96 96 GLY H H 96 7.966 7.966 8.256 -0.290 25834 9025 1 10 . 1 1 97 97 ARG N N 97 119.683 119.683 119.743 -0.060 25834 9026 1 10 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.716 -0.067 25834 9027 1 10 . 1 1 97 97 ARG C C 97 177.225 177.225 176.230 0.995 25834 9028 1 10 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.925 1.574 25834 9029 1 10 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.796 0.078 25834 9030 1 10 . 1 1 97 97 ARG H H 97 8.147 8.147 8.144 0.003 25834 9031 1 10 . 1 1 98 98 SER N N 98 113.711 113.711 116.609 -2.898 25834 9032 1 10 . 1 1 98 98 SER HA H 98 4.337 4.337 4.443 -0.106 25834 9033 1 10 . 1 1 98 98 SER C C 98 176.172 176.172 174.853 1.319 25834 9034 1 10 . 1 1 98 98 SER CA C 98 57.909 57.909 57.674 0.235 25834 9035 1 10 . 1 1 98 98 SER CB C 98 63.085 63.085 65.157 -2.072 25834 9036 1 10 . 1 1 98 98 SER H H 98 9.133 9.133 7.729 1.404 25834 9037 1 10 . 1 1 99 99 LYS N N 99 124.590 124.590 121.908 2.682 25834 9038 1 10 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.227 -0.283 25834 9039 1 10 . 1 1 99 99 LYS C C 99 176.548 176.548 177.170 -0.622 25834 9040 1 10 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.872 0.321 25834 9041 1 10 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.676 -0.015 25834 9042 1 10 . 1 1 99 99 LYS H H 99 8.451 8.451 8.628 -0.177 25834 9043 1 10 . 1 1 100 100 VAL N N 100 114.126 114.126 114.619 -0.493 25834 9044 1 10 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.065 -0.167 25834 9045 1 10 . 1 1 100 100 VAL C C 100 176.832 176.832 176.176 0.656 25834 9046 1 10 . 1 1 100 100 VAL CA C 100 62.964 62.964 63.127 -0.163 25834 9047 1 10 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.843 -0.149 25834 9048 1 10 . 1 1 100 100 VAL H H 100 7.512 7.512 7.501 0.011 25834 9049 1 10 . 1 1 101 101 CYS N N 101 119.359 119.359 119.413 -0.054 25834 9050 1 10 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.249 -0.762 25834 9051 1 10 . 1 1 101 101 CYS C C 101 172.156 172.156 175.153 -2.997 25834 9052 1 10 . 1 1 101 101 CYS CA C 101 61.155 61.155 59.134 2.021 25834 9053 1 10 . 1 1 101 101 CYS CB C 101 26.848 26.848 28.736 -1.888 25834 9054 1 10 . 1 1 101 101 CYS H H 101 7.641 7.641 7.416 0.225 25834 9055 1 10 . 1 1 102 102 ASP N N 102 118.734 118.734 120.836 -2.102 25834 9056 1 10 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.532 -0.603 25834 9057 1 10 . 1 1 102 102 ASP C C 102 175.410 175.410 175.520 -0.110 25834 9058 1 10 . 1 1 102 102 ASP CA C 102 57.029 57.029 55.354 1.675 25834 9059 1 10 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.487 1.441 25834 9060 1 10 . 1 1 102 102 ASP H H 102 7.367 7.367 8.451 -1.084 25834 9061 1 10 . 1 1 103 103 TYR N N 103 114.004 114.004 119.226 -5.222 25834 9062 1 10 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.713 0.519 25834 9063 1 10 . 1 1 103 103 TYR C C 103 172.997 172.997 173.575 -0.578 25834 9064 1 10 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.712 -0.358 25834 9065 1 10 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.681 -2.401 25834 9066 1 10 . 1 1 103 103 TYR H H 103 7.111 7.111 7.620 -0.509 25834 9067 1 10 . 1 1 104 104 VAL N N 104 124.660 124.660 127.499 -2.839 25834 9068 1 10 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.497 0.028 25834 9069 1 10 . 1 1 104 104 VAL C C 104 176.491 176.491 175.907 0.584 25834 9070 1 10 . 1 1 104 104 VAL CA C 104 61.221 61.221 62.911 -1.690 25834 9071 1 10 . 1 1 104 104 VAL CB C 104 31.806 31.806 31.704 0.102 25834 9072 1 10 . 1 1 104 104 VAL H H 104 8.210 8.210 8.312 -0.102 25834 9073 1 10 . 1 1 105 105 LEU N N 105 130.546 130.546 129.201 1.345 25834 9074 1 10 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.882 -0.315 25834 9075 1 10 . 1 1 105 105 LEU C C 105 175.794 175.794 176.204 -0.410 25834 9076 1 10 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.242 -0.383 25834 9077 1 10 . 1 1 105 105 LEU CB C 105 43.199 43.199 43.811 -0.612 25834 9078 1 10 . 1 1 105 105 LEU H H 105 8.217 8.217 7.992 0.225 25834 9079 1 10 . 1 1 106 106 GLU N N 106 117.285 117.285 119.875 -2.590 25834 9080 1 10 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.643 -0.394 25834 9081 1 10 . 1 1 106 106 GLU C C 106 176.698 176.698 175.236 1.462 25834 9082 1 10 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.063 0.590 25834 9083 1 10 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.493 0.657 25834 9084 1 10 . 1 1 106 106 GLU H H 106 8.219 8.219 8.437 -0.218 25834 9085 1 10 . 1 1 107 107 HIS N N 107 123.685 123.685 123.220 0.465 25834 9086 1 10 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.819 -0.968 25834 9087 1 10 . 1 1 107 107 HIS CA C 107 58.239 58.239 55.119 3.120 25834 9088 1 10 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.016 -1.097 25834 9089 1 10 . 1 1 107 107 HIS H H 107 7.703 7.703 8.510 -0.807 25834 9090 1 10 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.537 -0.397 25834 9091 1 10 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.143 0.507 25834 9092 1 10 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.501 -0.481 25834 9093 1 10 . 1 1 109 109 SER N N 109 114.134 114.134 112.703 1.431 25834 9094 1 10 . 1 1 109 109 SER HA H 109 4.326 4.326 4.653 -0.327 25834 9095 1 10 . 1 1 109 109 SER C C 109 174.553 174.553 174.799 -0.246 25834 9096 1 10 . 1 1 109 109 SER CA C 109 59.214 59.214 58.927 0.287 25834 9097 1 10 . 1 1 109 109 SER CB C 109 64.953 64.953 63.947 1.006 25834 9098 1 10 . 1 1 109 109 SER H H 109 9.035 9.035 7.977 1.058 25834 9099 1 10 . 1 1 110 110 ILE N N 110 128.498 128.498 124.205 4.293 25834 9100 1 10 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.165 0.054 25834 9101 1 10 . 1 1 110 110 ILE C C 110 175.968 175.968 175.372 0.596 25834 9102 1 10 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.181 -2.278 25834 9103 1 10 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.251 -0.513 25834 9104 1 10 . 1 1 110 110 ILE H H 110 8.103 8.103 8.006 0.097 25834 9105 1 10 . 1 1 111 111 SER N N 111 127.509 127.509 123.172 4.337 25834 9106 1 10 . 1 1 111 111 SER HA H 111 4.207 4.207 4.879 -0.672 25834 9107 1 10 . 1 1 111 111 SER C C 111 174.300 174.300 175.797 -1.497 25834 9108 1 10 . 1 1 111 111 SER CA C 111 60.844 60.844 57.540 3.304 25834 9109 1 10 . 1 1 111 111 SER CB C 111 64.891 64.891 65.226 -0.335 25834 9110 1 10 . 1 1 111 111 SER H H 111 11.497 11.497 8.145 3.352 25834 9111 1 10 . 1 1 112 112 SER N N 112 120.261 120.261 116.120 4.141 25834 9112 1 10 . 1 1 112 112 SER HA H 112 4.208 4.208 4.381 -0.173 25834 9113 1 10 . 1 1 112 112 SER C C 112 174.250 174.250 174.004 0.246 25834 9114 1 10 . 1 1 112 112 SER CA C 112 63.258 63.258 61.041 2.216 25834 9115 1 10 . 1 1 112 112 SER CB C 112 62.194 62.194 63.068 -0.874 25834 9116 1 10 . 1 1 112 112 SER H H 112 9.135 9.135 8.831 0.304 25834 9117 1 10 . 1 1 113 113 VAL N N 113 118.006 118.006 118.954 -0.948 25834 9118 1 10 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.320 -0.667 25834 9119 1 10 . 1 1 113 113 VAL C C 113 173.570 173.570 174.967 -1.397 25834 9120 1 10 . 1 1 113 113 VAL CA C 113 64.376 64.376 60.526 3.850 25834 9121 1 10 . 1 1 113 113 VAL CB C 113 32.216 32.216 30.655 1.561 25834 9122 1 10 . 1 1 113 113 VAL H H 113 7.781 7.781 7.800 -0.019 25834 9123 1 10 . 1 1 114 114 HIS N N 114 128.080 128.080 126.105 1.975 25834 9124 1 10 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.326 -0.132 25834 9125 1 10 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.233 -0.811 25834 9126 1 10 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.203 4.852 25834 9127 1 10 . 1 1 114 114 HIS H H 114 8.875 8.875 8.460 0.415 25834 9128 1 10 . 1 1 115 115 ALA N N 115 114.264 114.264 115.090 -0.826 25834 9129 1 10 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.874 0.357 25834 9130 1 10 . 1 1 115 115 ALA C C 115 173.729 173.729 174.299 -0.570 25834 9131 1 10 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.767 -0.809 25834 9132 1 10 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.283 2.321 25834 9133 1 10 . 1 1 115 115 ALA H H 115 8.250 8.250 7.666 0.584 25834 9134 1 10 . 1 1 116 116 VAL N N 116 116.683 116.683 119.003 -2.320 25834 9135 1 10 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.521 1.337 25834 9136 1 10 . 1 1 116 116 VAL C C 116 173.135 173.135 173.289 -0.154 25834 9137 1 10 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.781 -1.973 25834 9138 1 10 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.405 0.775 25834 9139 1 10 . 1 1 116 116 VAL H H 116 8.808 8.808 7.691 1.117 25834 9140 1 10 . 1 1 117 117 LEU N N 117 124.933 124.933 126.022 -1.089 25834 9141 1 10 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.276 0.478 25834 9142 1 10 . 1 1 117 117 LEU C C 117 174.233 174.233 175.448 -1.215 25834 9143 1 10 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.990 0.922 25834 9144 1 10 . 1 1 117 117 LEU CB C 117 46.129 46.129 43.586 2.543 25834 9145 1 10 . 1 1 117 117 LEU H H 117 8.799 8.799 7.883 0.916 25834 9146 1 10 . 1 1 118 118 VAL N N 118 123.453 123.453 119.852 3.601 25834 9147 1 10 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.893 0.544 25834 9148 1 10 . 1 1 118 118 VAL C C 118 174.261 174.261 175.546 -1.285 25834 9149 1 10 . 1 1 118 118 VAL CA C 118 59.238 59.238 60.034 -0.796 25834 9150 1 10 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.154 -0.084 25834 9151 1 10 . 1 1 118 118 VAL H H 118 10.009 10.009 8.227 1.782 25834 9152 1 10 . 1 1 119 119 PHE N N 119 132.016 132.016 127.739 4.277 25834 9153 1 10 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.632 0.214 25834 9154 1 10 . 1 1 119 119 PHE C C 119 172.828 172.828 174.504 -1.676 25834 9155 1 10 . 1 1 119 119 PHE CA C 119 60.289 60.289 57.120 3.169 25834 9156 1 10 . 1 1 119 119 PHE CB C 119 37.640 37.640 38.040 -0.400 25834 9157 1 10 . 1 1 119 119 PHE H H 119 9.544 9.544 8.325 1.219 25834 9158 1 10 . 1 1 120 120 HIS N N 120 130.718 130.718 128.225 2.493 25834 9159 1 10 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.977 -1.133 25834 9160 1 10 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.047 -1.219 25834 9161 1 10 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.120 2.156 25834 9162 1 10 . 1 1 120 120 HIS H H 120 8.365 8.365 8.057 0.308 25834 9163 1 10 . 1 1 121 121 GLY N N 121 111.906 111.906 114.745 -2.839 25834 9164 1 10 . 1 1 121 121 GLY C C 121 174.992 174.992 174.486 0.506 25834 9165 1 10 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.841 2.129 25834 9166 1 10 . 1 1 121 121 GLY H H 121 8.150 8.150 8.495 -0.345 25834 9167 1 10 . 1 1 122 122 GLY N N 122 111.156 111.156 108.456 2.700 25834 9168 1 10 . 1 1 122 122 GLY C C 122 175.834 175.834 175.404 0.430 25834 9169 1 10 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.946 0.450 25834 9170 1 10 . 1 1 122 122 GLY H H 122 9.055 9.055 7.893 1.162 25834 9171 1 10 . 1 1 123 123 GLN N N 123 121.769 121.769 118.071 3.698 25834 9172 1 10 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.466 -0.532 25834 9173 1 10 . 1 1 123 123 GLN C C 123 175.649 175.649 175.887 -0.238 25834 9174 1 10 . 1 1 123 123 GLN CA C 123 56.432 56.432 54.165 2.267 25834 9175 1 10 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.342 0.083 25834 9176 1 10 . 1 1 123 123 GLN H H 123 9.270 9.270 7.817 1.453 25834 9177 1 10 . 1 1 124 124 ARG N N 124 115.831 115.831 117.600 -1.769 25834 9178 1 10 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.159 -0.693 25834 9179 1 10 . 1 1 124 124 ARG C C 124 173.830 173.830 174.644 -0.814 25834 9180 1 10 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.346 -0.155 25834 9181 1 10 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.237 -0.610 25834 9182 1 10 . 1 1 124 124 ARG H H 124 8.141 8.141 8.205 -0.064 25834 9183 1 10 . 1 1 125 125 CYS N N 125 111.895 111.895 112.740 -0.845 25834 9184 1 10 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.767 -0.277 25834 9185 1 10 . 1 1 125 125 CYS C C 125 172.037 172.037 173.768 -1.731 25834 9186 1 10 . 1 1 125 125 CYS CA C 125 55.647 55.647 57.064 -1.417 25834 9187 1 10 . 1 1 125 125 CYS CB C 125 30.488 30.488 30.274 0.214 25834 9188 1 10 . 1 1 125 125 CYS H H 125 6.808 6.808 7.824 -1.016 25834 9189 1 10 . 1 1 126 126 PHE N N 126 119.776 119.776 122.873 -3.097 25834 9190 1 10 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.730 0.075 25834 9191 1 10 . 1 1 126 126 PHE C C 126 175.431 175.431 175.772 -0.341 25834 9192 1 10 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.029 1.696 25834 9193 1 10 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.539 0.973 25834 9194 1 10 . 1 1 126 126 PHE H H 126 9.599 9.599 9.135 0.464 25834 9195 1 10 . 1 1 127 127 VAL N N 127 119.700 119.700 124.128 -4.428 25834 9196 1 10 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.460 0.165 25834 9197 1 10 . 1 1 127 127 VAL C C 127 173.499 173.499 174.904 -1.405 25834 9198 1 10 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.804 -1.303 25834 9199 1 10 . 1 1 127 127 VAL CB C 127 34.354 34.354 32.417 1.937 25834 9200 1 10 . 1 1 127 127 VAL H H 127 9.594 9.594 8.699 0.895 25834 9201 1 10 . 1 1 128 128 LEU N N 128 129.107 129.107 130.540 -1.433 25834 9202 1 10 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.039 0.378 25834 9203 1 10 . 1 1 128 128 LEU C C 128 175.310 175.310 175.480 -0.170 25834 9204 1 10 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.255 -0.265 25834 9205 1 10 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.297 2.238 25834 9206 1 10 . 1 1 128 128 LEU H H 128 9.545 9.545 8.418 1.127 25834 9207 1 10 . 1 1 129 129 MET N N 129 119.581 119.581 126.370 -6.789 25834 9208 1 10 . 1 1 129 129 MET HA H 129 4.792 4.792 5.124 -0.332 25834 9209 1 10 . 1 1 129 129 MET C C 129 174.562 174.562 174.773 -0.211 25834 9210 1 10 . 1 1 129 129 MET CA C 129 54.980 54.980 54.336 0.644 25834 9211 1 10 . 1 1 129 129 MET CB C 129 38.129 38.129 36.084 2.045 25834 9212 1 10 . 1 1 129 129 MET H H 129 8.724 8.724 8.012 0.712 25834 9213 1 10 . 1 1 130 130 ASP N N 130 124.566 124.566 123.479 1.087 25834 9214 1 10 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.044 -0.372 25834 9215 1 10 . 1 1 130 130 ASP C C 130 178.291 178.291 177.052 1.239 25834 9216 1 10 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.525 0.241 25834 9217 1 10 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.657 0.406 25834 9218 1 10 . 1 1 130 130 ASP H H 130 9.500 9.500 8.900 0.600 25834 9219 1 10 . 1 1 131 131 LEU N N 131 129.917 129.917 121.412 8.505 25834 9220 1 10 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.344 0.083 25834 9221 1 10 . 1 1 131 131 LEU C C 131 176.172 176.172 177.886 -1.714 25834 9222 1 10 . 1 1 131 131 LEU CA C 131 54.227 54.227 55.264 -1.037 25834 9223 1 10 . 1 1 131 131 LEU CB C 131 39.713 39.713 41.829 -2.116 25834 9224 1 10 . 1 1 131 131 LEU H H 131 8.182 8.182 8.246 -0.064 25834 9225 1 10 . 1 1 132 132 GLY N N 132 107.323 107.323 105.063 2.260 25834 9226 1 10 . 1 1 132 132 GLY C C 132 174.507 174.507 174.221 0.286 25834 9227 1 10 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.600 1.671 25834 9228 1 10 . 1 1 132 132 GLY H H 132 8.233 8.233 8.120 0.113 25834 9229 1 10 . 1 1 133 133 SER N N 133 119.398 119.398 115.025 4.373 25834 9230 1 10 . 1 1 133 133 SER HA H 133 4.091 4.091 4.199 -0.108 25834 9231 1 10 . 1 1 133 133 SER C C 133 175.194 175.194 176.046 -0.852 25834 9232 1 10 . 1 1 133 133 SER CA C 133 59.003 59.003 58.672 0.331 25834 9233 1 10 . 1 1 133 133 SER CB C 133 62.766 62.766 63.738 -0.972 25834 9234 1 10 . 1 1 133 133 SER H H 133 9.111 9.111 8.072 1.039 25834 9235 1 10 . 1 1 134 134 THR N N 134 117.002 117.002 115.893 1.109 25834 9236 1 10 . 1 1 134 134 THR HA H 134 3.917 3.917 4.359 -0.442 25834 9237 1 10 . 1 1 134 134 THR C C 134 176.542 176.542 175.423 1.119 25834 9238 1 10 . 1 1 134 134 THR CA C 134 66.444 66.444 64.268 2.176 25834 9239 1 10 . 1 1 134 134 THR CB C 134 68.876 68.876 69.082 -0.206 25834 9240 1 10 . 1 1 134 134 THR H H 134 7.136 7.136 8.697 -1.561 25834 9241 1 10 . 1 1 135 135 ASN N N 135 114.018 114.018 119.855 -5.837 25834 9242 1 10 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.775 0.119 25834 9243 1 10 . 1 1 135 135 ASN C C 135 175.875 175.875 174.418 1.457 25834 9244 1 10 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.871 -1.192 25834 9245 1 10 . 1 1 135 135 ASN CB C 135 39.207 39.207 40.415 -1.208 25834 9246 1 10 . 1 1 135 135 ASN H H 135 9.243 9.243 7.689 1.554 25834 9247 1 10 . 1 1 136 136 GLY N N 136 106.575 106.575 104.743 1.832 25834 9248 1 10 . 1 1 136 136 GLY C C 136 174.404 174.404 172.386 2.018 25834 9249 1 10 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.335 1.677 25834 9250 1 10 . 1 1 136 136 GLY H H 136 7.533 7.533 7.853 -0.320 25834 9251 1 10 . 1 1 137 137 VAL N N 137 123.037 123.037 121.165 1.872 25834 9252 1 10 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.408 0.146 25834 9253 1 10 . 1 1 137 137 VAL C C 137 173.367 173.367 175.003 -1.636 25834 9254 1 10 . 1 1 137 137 VAL CA C 137 61.221 61.221 60.747 0.474 25834 9255 1 10 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.517 2.674 25834 9256 1 10 . 1 1 137 137 VAL H H 137 9.270 9.270 8.580 0.690 25834 9257 1 10 . 1 1 138 138 LYS N N 138 123.932 123.932 124.319 -0.387 25834 9258 1 10 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.636 0.272 25834 9259 1 10 . 1 1 138 138 LYS C C 138 174.454 174.454 174.770 -0.316 25834 9260 1 10 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.525 -1.005 25834 9261 1 10 . 1 1 138 138 LYS CB C 138 35.859 35.859 34.909 0.950 25834 9262 1 10 . 1 1 138 138 LYS H H 138 8.779 8.779 8.294 0.485 25834 9263 1 10 . 1 1 139 139 LEU N N 139 124.937 124.937 122.596 2.341 25834 9264 1 10 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.682 0.353 25834 9265 1 10 . 1 1 139 139 LEU C C 139 176.335 176.335 176.147 0.188 25834 9266 1 10 . 1 1 139 139 LEU CA C 139 52.721 52.721 54.362 -1.641 25834 9267 1 10 . 1 1 139 139 LEU CB C 139 45.127 45.127 45.952 -0.825 25834 9268 1 10 . 1 1 139 139 LEU H H 139 8.528 8.528 8.796 -0.268 25834 9269 1 10 . 1 1 140 140 ASN N N 140 128.375 128.375 123.543 4.832 25834 9270 1 10 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.571 -0.175 25834 9271 1 10 . 1 1 140 140 ASN C C 140 175.256 175.256 174.881 0.375 25834 9272 1 10 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.551 -0.139 25834 9273 1 10 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.898 -1.020 25834 9274 1 10 . 1 1 140 140 ASN H H 140 10.056 10.056 9.284 0.772 25834 9275 1 10 . 1 1 141 141 GLY N N 141 101.602 101.602 104.259 -2.657 25834 9276 1 10 . 1 1 141 141 GLY C C 141 173.265 173.265 173.591 -0.326 25834 9277 1 10 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.143 -0.171 25834 9278 1 10 . 1 1 141 141 GLY H H 141 8.811 8.811 8.637 0.174 25834 9279 1 10 . 1 1 142 142 ASN N N 142 118.060 118.060 118.662 -0.602 25834 9280 1 10 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.988 0.020 25834 9281 1 10 . 1 1 142 142 ASN C C 142 174.106 174.106 174.100 0.006 25834 9282 1 10 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.636 -1.040 25834 9283 1 10 . 1 1 142 142 ASN CB C 142 41.038 41.038 42.077 -1.039 25834 9284 1 10 . 1 1 142 142 ASN H H 142 7.512 7.512 8.190 -0.678 25834 9285 1 10 . 1 1 143 143 ARG N N 143 125.882 125.882 123.655 2.227 25834 9286 1 10 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.235 0.386 25834 9287 1 10 . 1 1 143 143 ARG C C 143 177.077 177.077 175.322 1.755 25834 9288 1 10 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.126 -0.186 25834 9289 1 10 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.319 -0.532 25834 9290 1 10 . 1 1 143 143 ARG H H 143 8.975 8.975 8.628 0.347 25834 9291 1 10 . 1 1 144 144 ILE N N 144 124.442 124.442 120.404 4.038 25834 9292 1 10 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.609 -0.038 25834 9293 1 10 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.737 2.058 25834 9294 1 10 . 1 1 144 144 ILE CB C 144 39.273 39.273 39.627 -0.354 25834 9295 1 10 . 1 1 144 144 ILE H H 144 6.907 6.907 8.052 -1.145 25834 9296 1 10 . 1 1 145 145 GLU N N 145 122.815 122.815 120.794 2.021 25834 9297 1 10 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.251 -0.047 25834 9298 1 10 . 1 1 145 145 GLU C C 145 176.123 176.123 176.083 0.040 25834 9299 1 10 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.459 -1.125 25834 9300 1 10 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.349 0.243 25834 9301 1 10 . 1 1 145 145 GLU H H 145 8.628 8.628 8.514 0.114 25834 9302 1 10 . 1 1 146 146 LYS N N 146 122.367 122.367 116.078 6.289 25834 9303 1 10 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.931 -0.815 25834 9304 1 10 . 1 1 146 146 LYS C C 146 175.811 175.811 176.199 -0.388 25834 9305 1 10 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.275 3.680 25834 9306 1 10 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.182 -0.620 25834 9307 1 10 . 1 1 146 146 LYS H H 146 8.755 8.755 8.089 0.666 25834 9308 1 10 . 1 1 147 147 ARG N N 147 115.303 115.303 118.523 -3.220 25834 9309 1 10 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.038 -0.381 25834 9310 1 10 . 1 1 147 147 ARG C C 147 174.121 174.121 174.530 -0.409 25834 9311 1 10 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.279 1.192 25834 9312 1 10 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.215 -0.822 25834 9313 1 10 . 1 1 147 147 ARG H H 147 9.124 9.124 8.504 0.620 25834 9314 1 10 . 1 1 148 148 ARG N N 148 118.994 118.994 114.918 4.076 25834 9315 1 10 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.747 0.215 25834 9316 1 10 . 1 1 148 148 ARG C C 148 173.769 173.769 173.284 0.485 25834 9317 1 10 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.477 0.009 25834 9318 1 10 . 1 1 148 148 ARG CB C 148 32.396 32.396 31.433 0.963 25834 9319 1 10 . 1 1 148 148 ARG H H 148 8.133 8.133 7.734 0.399 25834 9320 1 10 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.560 0.078 25834 9321 1 10 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.182 -0.542 25834 9322 1 10 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.567 0.233 25834 9323 1 10 . 1 1 150 150 LEU N N 150 129.239 129.239 125.713 3.526 25834 9324 1 10 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.831 0.145 25834 9325 1 10 . 1 1 150 150 LEU C C 150 173.433 173.433 175.341 -1.908 25834 9326 1 10 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.563 -0.208 25834 9327 1 10 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.030 2.223 25834 9328 1 10 . 1 1 150 150 LEU H H 150 8.850 8.850 7.947 0.903 25834 9329 1 10 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.694 -0.363 25834 9330 1 10 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.266 1.935 25834 9331 1 10 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.957 0.716 25834 9332 1 10 . 1 1 152 152 ALA N N 152 123.538 123.538 126.150 -2.612 25834 9333 1 10 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.834 0.049 25834 9334 1 10 . 1 1 152 152 ALA C C 152 172.551 172.551 175.351 -2.800 25834 9335 1 10 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.356 -1.239 25834 9336 1 10 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.673 -1.571 25834 9337 1 10 . 1 1 152 152 ALA H H 152 8.741 8.741 8.934 -0.193 25834 9338 1 10 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.493 0.144 25834 9339 1 10 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.245 -0.165 25834 9340 1 10 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.765 0.565 25834 9341 1 10 . 1 1 154 154 VAL N N 154 121.024 121.024 115.203 5.821 25834 9342 1 10 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.502 -0.178 25834 9343 1 10 . 1 1 154 154 VAL C C 154 176.371 176.371 176.586 -0.215 25834 9344 1 10 . 1 1 154 154 VAL CA C 154 65.636 65.636 63.719 1.917 25834 9345 1 10 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.154 0.359 25834 9346 1 10 . 1 1 154 154 VAL H H 154 8.653 8.653 8.384 0.269 25834 9347 1 10 . 1 1 155 155 GLY N N 155 116.464 116.464 113.773 2.691 25834 9348 1 10 . 1 1 155 155 GLY C C 155 174.707 174.707 174.218 0.489 25834 9349 1 10 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.166 -0.857 25834 9350 1 10 . 1 1 155 155 GLY H H 155 9.242 9.242 8.783 0.459 25834 9351 1 10 . 1 1 156 156 SER N N 156 117.176 117.176 116.239 0.937 25834 9352 1 10 . 1 1 156 156 SER HA H 156 4.684 4.684 4.690 -0.006 25834 9353 1 10 . 1 1 156 156 SER C C 156 172.437 172.437 173.245 -0.808 25834 9354 1 10 . 1 1 156 156 SER CA C 156 60.271 60.271 57.556 2.715 25834 9355 1 10 . 1 1 156 156 SER CB C 156 64.119 64.119 65.948 -1.829 25834 9356 1 10 . 1 1 156 156 SER H H 156 8.166 8.166 7.852 0.314 25834 9357 1 10 . 1 1 157 157 SER N N 157 117.025 117.025 114.764 2.261 25834 9358 1 10 . 1 1 157 157 SER HA H 157 5.334 5.334 5.456 -0.122 25834 9359 1 10 . 1 1 157 157 SER C C 157 173.729 173.729 172.932 0.797 25834 9360 1 10 . 1 1 157 157 SER CA C 157 56.737 56.737 57.079 -0.342 25834 9361 1 10 . 1 1 157 157 SER CB C 157 65.445 65.445 67.081 -1.636 25834 9362 1 10 . 1 1 157 157 SER H H 157 8.371 8.371 8.355 0.016 25834 9363 1 10 . 1 1 158 158 ILE N N 158 126.089 126.089 118.976 7.113 25834 9364 1 10 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.427 0.392 25834 9365 1 10 . 1 1 158 158 ILE C C 158 174.471 174.471 174.041 0.430 25834 9366 1 10 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.675 -0.625 25834 9367 1 10 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.857 0.577 25834 9368 1 10 . 1 1 158 158 ILE H H 158 9.601 9.601 8.420 1.181 25834 9369 1 10 . 1 1 159 159 GLN N N 159 123.323 123.323 121.478 1.845 25834 9370 1 10 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.963 -0.401 25834 9371 1 10 . 1 1 159 159 GLN C C 159 174.219 174.219 174.005 0.214 25834 9372 1 10 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.555 0.549 25834 9373 1 10 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.072 0.555 25834 9374 1 10 . 1 1 159 159 GLN H H 159 8.290 8.290 8.419 -0.129 25834 9375 1 10 . 1 1 160 160 PHE N N 160 124.084 124.084 119.454 4.630 25834 9376 1 10 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.874 -0.310 25834 9377 1 10 . 1 1 160 160 PHE C C 160 174.368 174.368 174.274 0.094 25834 9378 1 10 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.508 -0.092 25834 9379 1 10 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.815 -1.138 25834 9380 1 10 . 1 1 160 160 PHE H H 160 9.622 9.622 8.874 0.748 25834 9381 1 10 . 1 1 161 161 GLY N N 161 108.516 108.516 111.578 -3.062 25834 9382 1 10 . 1 1 161 161 GLY C C 161 173.064 173.064 173.157 -0.093 25834 9383 1 10 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.492 0.680 25834 9384 1 10 . 1 1 161 161 GLY H H 161 8.409 8.409 7.858 0.551 25834 9385 1 10 . 1 1 162 162 PHE N N 162 123.240 123.240 120.995 2.245 25834 9386 1 10 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.670 0.271 25834 9387 1 10 . 1 1 162 162 PHE C C 162 175.982 175.982 175.177 0.805 25834 9388 1 10 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.689 -2.628 25834 9389 1 10 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.509 -1.418 25834 9390 1 10 . 1 1 162 162 PHE H H 162 8.848 8.848 7.555 1.293 25834 9391 1 10 . 1 1 163 163 SER N N 163 113.673 113.673 115.536 -1.863 25834 9392 1 10 . 1 1 163 163 SER HA H 163 4.001 4.001 3.827 0.174 25834 9393 1 10 . 1 1 163 163 SER C C 163 176.303 176.303 174.901 1.402 25834 9394 1 10 . 1 1 163 163 SER CA C 163 58.004 58.004 58.263 -0.259 25834 9395 1 10 . 1 1 163 163 SER CB C 163 62.297 62.297 63.141 -0.844 25834 9396 1 10 . 1 1 163 163 SER H H 163 7.071 7.071 6.735 0.336 25834 9397 1 10 . 1 1 164 164 SER N N 164 126.213 126.213 116.309 9.904 25834 9398 1 10 . 1 1 164 164 SER HA H 164 4.188 4.188 4.263 -0.075 25834 9399 1 10 . 1 1 164 164 SER C C 164 174.499 174.499 174.067 0.432 25834 9400 1 10 . 1 1 164 164 SER CA C 164 59.606 59.606 59.543 0.063 25834 9401 1 10 . 1 1 164 164 SER CB C 164 63.841 63.841 63.528 0.313 25834 9402 1 10 . 1 1 164 164 SER H H 164 9.901 9.901 8.585 1.316 25834 9403 1 10 . 1 1 165 165 ARG N N 165 122.909 122.909 120.631 2.278 25834 9404 1 10 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.233 -0.013 25834 9405 1 10 . 1 1 165 165 ARG C C 165 175.560 175.560 174.904 0.656 25834 9406 1 10 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.029 1.420 25834 9407 1 10 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.237 0.754 25834 9408 1 10 . 1 1 165 165 ARG H H 165 8.096 8.096 7.645 0.451 25834 9409 1 10 . 1 1 166 166 VAL N N 166 123.934 123.934 119.429 4.505 25834 9410 1 10 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.116 0.042 25834 9411 1 10 . 1 1 166 166 VAL C C 166 174.398 174.398 174.160 0.238 25834 9412 1 10 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.909 1.134 25834 9413 1 10 . 1 1 166 166 VAL CB C 166 33.399 33.399 35.690 -2.291 25834 9414 1 10 . 1 1 166 166 VAL H H 166 8.756 8.756 7.757 0.999 25834 9415 1 10 . 1 1 167 167 TYR N N 167 126.353 126.353 125.475 0.878 25834 9416 1 10 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.107 0.095 25834 9417 1 10 . 1 1 167 167 TYR C C 167 174.823 174.823 175.139 -0.316 25834 9418 1 10 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.522 -0.619 25834 9419 1 10 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.345 1.511 25834 9420 1 10 . 1 1 167 167 TYR H H 167 8.637 8.637 8.298 0.339 25834 9421 1 10 . 1 1 168 168 LYS N N 168 123.312 123.312 125.098 -1.786 25834 9422 1 10 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.910 0.576 25834 9423 1 10 . 1 1 168 168 LYS C C 168 176.634 176.634 175.705 0.929 25834 9424 1 10 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.256 -0.344 25834 9425 1 10 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.246 2.656 25834 9426 1 10 . 1 1 168 168 LYS H H 168 9.005 9.005 8.867 0.138 25834 9427 1 10 . 1 1 169 169 VAL N N 169 125.863 125.863 126.861 -0.998 25834 9428 1 10 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.341 -0.523 25834 9429 1 10 . 1 1 169 169 VAL C C 169 175.804 175.804 175.534 0.270 25834 9430 1 10 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.564 1.291 25834 9431 1 10 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.490 -1.553 25834 9432 1 10 . 1 1 169 169 VAL H H 169 8.305 8.305 8.391 -0.086 25834 9433 1 10 . 1 1 170 170 GLN N N 170 129.871 129.871 123.170 6.701 25834 9434 1 10 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.543 0.324 25834 9435 1 10 . 1 1 170 170 GLN C C 170 174.293 174.293 172.932 1.361 25834 9436 1 10 . 1 1 170 170 GLN CA C 170 53.818 53.818 54.898 -1.080 25834 9437 1 10 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.204 -0.524 25834 9438 1 10 . 1 1 170 170 GLN H H 170 9.124 9.124 8.005 1.119 25834 9439 1 10 . 1 1 171 171 LEU N N 171 122.168 122.168 123.868 -1.700 25834 9440 1 10 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.606 -0.114 25834 9441 1 10 . 1 1 171 171 LEU C C 171 177.672 177.672 176.225 1.447 25834 9442 1 10 . 1 1 171 171 LEU CA C 171 55.951 55.951 53.842 2.109 25834 9443 1 10 . 1 1 171 171 LEU CB C 171 44.023 44.023 44.024 -0.001 25834 9444 1 10 . 1 1 171 171 LEU H H 171 8.569 8.569 8.328 0.241 25834 9445 1 10 . 1 1 172 172 GLY N N 172 111.174 111.174 113.170 -1.996 25834 9446 1 10 . 1 1 172 172 GLY C C 172 171.895 171.895 173.237 -1.342 25834 9447 1 10 . 1 1 172 172 GLY CA C 172 44.179 44.179 43.692 0.487 25834 9448 1 10 . 1 1 172 172 GLY H H 172 8.588 8.588 8.140 0.448 25834 9449 1 10 . 1 1 175 175 SER N N 175 115.756 115.756 118.758 -3.002 25834 9450 1 10 . 1 1 175 175 SER HA H 175 4.274 4.274 4.305 -0.031 25834 9451 1 10 . 1 1 175 175 SER C C 175 174.314 174.314 176.188 -1.874 25834 9452 1 10 . 1 1 175 175 SER CA C 175 57.998 57.998 57.952 0.046 25834 9453 1 10 . 1 1 175 175 SER CB C 175 63.886 63.886 64.402 -0.516 25834 9454 1 10 . 1 1 175 175 SER H H 175 7.661 7.661 8.319 -0.658 25834 9455 1 10 . 1 1 176 176 SER N N 176 117.882 117.882 117.945 -0.063 25834 9456 1 10 . 1 1 176 176 SER HA H 176 4.698 4.698 4.279 0.419 25834 9457 1 10 . 1 1 176 176 SER C C 176 173.521 173.521 174.667 -1.146 25834 9458 1 10 . 1 1 176 176 SER CA C 176 58.601 58.601 59.846 -1.245 25834 9459 1 10 . 1 1 176 176 SER CB C 176 64.242 64.242 63.418 0.824 25834 9460 1 10 . 1 1 176 176 SER H H 176 8.265 8.265 8.695 -0.430 25834 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 158 3.365 -0.346 3.358 25834 2 1 1 "Average Difference" HA 176 0.428 0.088 0.420 25834 3 1 1 "Average Difference" C 146 1.182 0.104 1.182 25834 4 1 1 "Average Difference" CA 170 1.239 -0.252 1.217 25834 5 1 1 "Average Difference" CB 157 1.377 -0.102 1.377 25834 6 1 1 "Average Difference" HN 158 0.756 -0.147 0.744 25834 7 1 2 "Average Difference" N 158 3.538 -0.262 3.540 25834 8 1 2 "Average Difference" HA 176 0.415 0.117 0.399 25834 9 1 2 "Average Difference" C 146 1.177 0.063 1.179 25834 10 1 2 "Average Difference" CA 170 1.279 -0.290 1.250 25834 11 1 2 "Average Difference" CB 157 1.374 -0.078 1.376 25834 12 1 2 "Average Difference" HN 158 0.771 -0.138 0.761 25834 13 1 3 "Average Difference" N 158 3.502 -0.495 3.477 25834 14 1 3 "Average Difference" HA 176 0.428 0.105 0.416 25834 15 1 3 "Average Difference" C 146 1.152 0.039 1.155 25834 16 1 3 "Average Difference" CA 170 1.319 -0.300 1.288 25834 17 1 3 "Average Difference" CB 157 1.337 0.034 1.341 25834 18 1 3 "Average Difference" HN 158 0.743 -0.143 0.731 25834 19 1 4 "Average Difference" N 158 3.338 -0.319 3.334 25834 20 1 4 "Average Difference" HA 176 0.410 0.092 0.401 25834 21 1 4 "Average Difference" C 146 1.147 0.114 1.145 25834 22 1 4 "Average Difference" CA 170 1.289 -0.262 1.266 25834 23 1 4 "Average Difference" CB 157 1.382 -0.077 1.384 25834 24 1 4 "Average Difference" HN 158 0.742 -0.133 0.732 25834 25 1 5 "Average Difference" N 158 3.532 -0.306 3.530 25834 26 1 5 "Average Difference" HA 176 0.398 0.091 0.388 25834 27 1 5 "Average Difference" C 146 1.136 0.131 1.132 25834 28 1 5 "Average Difference" CA 170 1.283 -0.254 1.261 25834 29 1 5 "Average Difference" CB 157 1.399 -0.062 1.402 25834 30 1 5 "Average Difference" HN 158 0.753 -0.153 0.740 25834 31 1 6 "Average Difference" N 158 3.465 -0.536 3.434 25834 32 1 6 "Average Difference" HA 176 0.407 0.107 0.394 25834 33 1 6 "Average Difference" C 146 1.120 0.068 1.122 25834 34 1 6 "Average Difference" CA 170 1.361 -0.255 1.340 25834 35 1 6 "Average Difference" CB 157 1.415 0.011 1.420 25834 36 1 6 "Average Difference" HN 158 0.726 -0.163 0.709 25834 37 1 7 "Average Difference" N 158 3.377 -0.385 3.366 25834 38 1 7 "Average Difference" HA 176 0.394 0.108 0.380 25834 39 1 7 "Average Difference" C 146 1.256 0.053 1.259 25834 40 1 7 "Average Difference" CA 170 1.290 -0.289 1.261 25834 41 1 7 "Average Difference" CB 157 1.366 -0.082 1.368 25834 42 1 7 "Average Difference" HN 158 0.737 -0.142 0.725 25834 43 1 8 "Average Difference" N 158 3.547 -0.574 3.512 25834 44 1 8 "Average Difference" HA 176 0.419 0.098 0.408 25834 45 1 8 "Average Difference" C 146 1.144 0.106 1.143 25834 46 1 8 "Average Difference" CA 170 1.276 -0.325 1.237 25834 47 1 8 "Average Difference" CB 157 1.406 -0.110 1.406 25834 48 1 8 "Average Difference" HN 158 0.758 -0.174 0.740 25834 49 1 9 "Average Difference" N 158 3.358 -0.545 3.324 25834 50 1 9 "Average Difference" HA 176 0.398 0.070 0.393 25834 51 1 9 "Average Difference" C 146 1.200 0.132 1.197 25834 52 1 9 "Average Difference" CA 170 1.311 -0.199 1.300 25834 53 1 9 "Average Difference" CB 157 1.379 -0.131 1.377 25834 54 1 9 "Average Difference" HN 158 0.738 -0.168 0.721 25834 55 1 10 "Average Difference" N 158 3.493 -0.281 3.493 25834 56 1 10 "Average Difference" HA 176 0.430 0.118 0.415 25834 57 1 10 "Average Difference" C 146 1.165 0.054 1.168 25834 58 1 10 "Average Difference" CA 170 1.283 -0.273 1.258 25834 59 1 10 "Average Difference" CB 157 1.430 -0.027 1.435 25834 60 1 10 "Average Difference" HN 158 0.749 -0.132 0.739 25834 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 25834 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 1 1 MET N N 1 121.215 121.215 120.464 0.751 25834 2 1 . 1 1 1 1 MET HA H 1 4.416 4.416 4.582 -0.166 25834 3 1 . 1 1 1 1 MET C C 1 176.061 176.061 175.255 0.806 25834 4 1 . 1 1 1 1 MET CA C 1 55.827 55.827 54.747 1.080 25834 5 1 . 1 1 1 1 MET CB C 1 32.869 32.869 33.730 -0.861 25834 6 1 . 1 1 1 1 MET H H 1 8.477 8.477 8.184 0.293 25834 7 1 . 1 1 2 2 VAL N N 2 122.483 122.483 121.143 1.340 25834 8 1 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.335 -0.168 25834 9 1 . 1 1 2 2 VAL C C 2 176.225 176.225 175.508 0.717 25834 10 1 . 1 1 2 2 VAL CA C 2 62.156 62.156 62.188 -0.032 25834 11 1 . 1 1 2 2 VAL CB C 2 32.855 32.855 32.504 0.351 25834 12 1 . 1 1 2 2 VAL H H 2 8.213 8.213 8.256 -0.043 25834 13 1 . 1 1 3 3 THR N N 3 117.952 117.952 118.076 -0.124 25834 14 1 . 1 1 3 3 THR HA H 3 4.353 4.353 4.648 -0.295 25834 15 1 . 1 1 3 3 THR C C 3 174.614 174.614 173.959 0.655 25834 16 1 . 1 1 3 3 THR CA C 3 61.571 61.571 61.526 0.045 25834 17 1 . 1 1 3 3 THR CB C 3 69.948 69.948 69.910 0.038 25834 18 1 . 1 1 3 3 THR H H 3 8.228 8.228 8.296 -0.068 25834 19 1 . 1 1 4 4 SER N N 4 118.076 118.076 119.251 -1.175 25834 20 1 . 1 1 4 4 SER HA H 4 4.490 4.490 4.676 -0.186 25834 21 1 . 1 1 4 4 SER C C 4 174.867 174.867 174.557 0.310 25834 22 1 . 1 1 4 4 SER CA C 4 58.451 58.451 58.175 0.276 25834 23 1 . 1 1 4 4 SER CB C 4 63.853 63.853 64.352 -0.498 25834 24 1 . 1 1 4 4 SER H H 4 8.350 8.350 8.426 -0.076 25834 25 1 . 1 1 5 5 THR N N 5 115.176 115.176 115.490 -0.314 25834 26 1 . 1 1 5 5 THR HA H 5 4.277 4.277 4.425 -0.148 25834 27 1 . 1 1 5 5 THR C C 5 175.173 175.173 175.129 0.044 25834 28 1 . 1 1 5 5 THR CA C 5 62.114 62.114 61.934 0.179 25834 29 1 . 1 1 5 5 THR CB C 5 69.702 69.702 69.223 0.479 25834 30 1 . 1 1 5 5 THR H H 5 8.125 8.125 8.376 -0.251 25834 31 1 . 1 1 6 6 GLY N N 6 110.725 110.725 110.300 0.425 25834 32 1 . 1 1 6 6 GLY C C 6 173.939 173.939 174.202 -0.263 25834 33 1 . 1 1 6 6 GLY CA C 6 45.253 45.253 45.129 0.125 25834 34 1 . 1 1 6 6 GLY H H 6 8.289 8.289 7.965 0.324 25834 35 1 . 1 1 7 7 LEU N N 7 121.627 121.627 120.576 1.051 25834 36 1 . 1 1 7 7 LEU HA H 7 4.246 4.246 4.359 -0.113 25834 37 1 . 1 1 7 7 LEU C C 7 177.317 177.317 176.599 0.718 25834 38 1 . 1 1 7 7 LEU CA C 7 55.509 55.509 54.960 0.549 25834 39 1 . 1 1 7 7 LEU CB C 7 42.507 42.507 42.047 0.460 25834 40 1 . 1 1 7 7 LEU H H 7 7.984 7.984 7.756 0.228 25834 41 1 . 1 1 8 8 LEU N N 8 122.317 122.317 124.841 -2.524 25834 42 1 . 1 1 8 8 LEU HA H 8 4.304 4.304 4.633 -0.329 25834 43 1 . 1 1 8 8 LEU CA C 8 55.289 55.289 54.634 0.655 25834 44 1 . 1 1 8 8 LEU CB C 8 42.314 42.314 44.127 -1.813 25834 45 1 . 1 1 8 8 LEU H H 8 8.163 8.163 8.151 0.012 25834 46 1 . 1 1 9 9 SER N N 9 116.218 116.218 117.739 -1.521 25834 47 1 . 1 1 9 9 SER HA H 9 4.315 4.315 4.598 -0.283 25834 48 1 . 1 1 9 9 SER CA C 9 58.253 58.253 58.022 0.231 25834 49 1 . 1 1 9 9 SER CB C 9 63.786 63.786 64.205 -0.419 25834 50 1 . 1 1 9 9 SER H H 9 8.088 8.088 8.323 -0.235 25834 51 1 . 1 1 10 10 ARG N N 10 122.939 122.939 122.492 0.448 25834 52 1 . 1 1 10 10 ARG HA H 10 4.305 4.305 4.572 -0.267 25834 53 1 . 1 1 10 10 ARG C C 10 177.734 177.734 175.289 2.445 25834 54 1 . 1 1 10 10 ARG CA C 10 56.289 56.289 55.708 0.581 25834 55 1 . 1 1 10 10 ARG CB C 10 30.591 30.591 31.239 -0.648 25834 56 1 . 1 1 10 10 ARG H H 10 8.211 8.211 8.388 -0.177 25834 57 1 . 1 1 11 11 VAL N N 11 120.980 120.980 121.217 -0.237 25834 58 1 . 1 1 11 11 VAL HA H 11 4.005 4.005 4.302 -0.297 25834 59 1 . 1 1 11 11 VAL C C 11 175.793 175.793 175.786 0.007 25834 60 1 . 1 1 11 11 VAL CA C 11 62.353 62.353 61.761 0.592 25834 61 1 . 1 1 11 11 VAL CB C 11 32.668 32.668 33.337 -0.669 25834 62 1 . 1 1 11 11 VAL H H 11 8.006 8.006 8.402 -0.395 25834 63 1 . 1 1 12 12 ALA N N 12 127.736 127.736 128.311 -0.575 25834 64 1 . 1 1 12 12 ALA HA H 12 4.232 4.232 4.476 -0.244 25834 65 1 . 1 1 12 12 ALA C C 12 177.174 177.174 176.277 0.897 25834 66 1 . 1 1 12 12 ALA CA C 12 52.429 52.429 52.001 0.428 25834 67 1 . 1 1 12 12 ALA CB C 12 19.227 19.227 19.788 -0.561 25834 68 1 . 1 1 12 12 ALA H H 12 8.246 8.246 8.287 -0.041 25834 69 1 . 1 1 13 13 ALA N N 13 123.061 123.061 124.216 -1.155 25834 70 1 . 1 1 13 13 ALA HA H 13 4.237 4.237 4.651 -0.414 25834 71 1 . 1 1 13 13 ALA C C 13 177.800 177.800 176.703 1.097 25834 72 1 . 1 1 13 13 ALA CA C 13 52.445 52.445 51.510 0.935 25834 73 1 . 1 1 13 13 ALA CB C 13 19.115 19.115 19.968 -0.853 25834 74 1 . 1 1 13 13 ALA H H 13 8.158 8.158 8.232 -0.074 25834 75 1 . 1 1 14 14 VAL N N 14 119.391 119.391 122.065 -2.674 25834 76 1 . 1 1 14 14 VAL HA H 14 4.000 4.000 4.217 -0.217 25834 77 1 . 1 1 14 14 VAL C C 14 176.284 176.284 175.209 1.075 25834 78 1 . 1 1 14 14 VAL CA C 14 62.337 62.337 62.270 0.067 25834 79 1 . 1 1 14 14 VAL CB C 14 32.739 32.739 31.957 0.782 25834 80 1 . 1 1 14 14 VAL H H 14 7.988 7.988 8.367 -0.379 25834 81 1 . 1 1 15 15 GLU N N 15 124.744 124.744 126.958 -2.214 25834 82 1 . 1 1 15 15 GLU HA H 15 4.200 4.200 4.586 -0.386 25834 83 1 . 1 1 15 15 GLU C C 15 176.542 176.542 175.363 1.179 25834 84 1 . 1 1 15 15 GLU CA C 15 56.541 56.541 55.974 0.567 25834 85 1 . 1 1 15 15 GLU CB C 15 30.528 30.528 30.630 -0.102 25834 86 1 . 1 1 15 15 GLU H H 15 8.369 8.369 8.628 -0.259 25834 87 1 . 1 1 16 16 LYS N N 16 122.786 122.786 122.204 0.582 25834 88 1 . 1 1 16 16 LYS HA H 16 4.197 4.197 4.630 -0.433 25834 89 1 . 1 1 16 16 LYS C C 16 176.218 176.218 175.349 0.869 25834 90 1 . 1 1 16 16 LYS CA C 16 56.253 56.253 55.930 0.323 25834 91 1 . 1 1 16 16 LYS CB C 16 32.898 32.898 33.899 -1.001 25834 92 1 . 1 1 16 16 LYS H H 16 8.264 8.264 8.542 -0.278 25834 93 1 . 1 1 17 17 ALA N N 17 125.458 125.458 123.365 2.093 25834 94 1 . 1 1 17 17 ALA HA H 17 4.184 4.184 4.765 -0.581 25834 95 1 . 1 1 17 17 ALA C C 17 177.579 177.579 175.857 1.722 25834 96 1 . 1 1 17 17 ALA CA C 17 52.516 52.516 51.737 0.779 25834 97 1 . 1 1 17 17 ALA CB C 17 19.105 19.105 20.196 -1.091 25834 98 1 . 1 1 17 17 ALA H H 17 8.226 8.226 8.426 -0.200 25834 99 1 . 1 1 18 18 ALA N N 18 123.616 123.616 123.354 0.262 25834 100 1 . 1 1 18 18 ALA HA H 18 4.224 4.224 4.501 -0.277 25834 101 1 . 1 1 18 18 ALA CA C 18 52.520 52.520 51.852 0.668 25834 102 1 . 1 1 18 18 ALA CB C 18 19.127 19.127 20.220 -1.093 25834 103 1 . 1 1 18 18 ALA H H 18 8.153 8.153 8.295 -0.142 25834 104 1 . 1 1 19 19 GLU N N 19 120.282 120.282 121.924 -1.642 25834 105 1 . 1 1 19 19 GLU HA H 19 4.199 4.199 4.509 -0.310 25834 106 1 . 1 1 19 19 GLU CA C 19 56.370 56.370 56.046 0.324 25834 107 1 . 1 1 19 19 GLU CB C 19 30.637 30.637 30.041 0.596 25834 108 1 . 1 1 19 19 GLU H H 19 8.209 8.209 8.545 -0.336 25834 109 1 . 1 1 20 20 ILE N N 20 122.046 122.046 124.700 -2.654 25834 110 1 . 1 1 20 20 ILE HA H 20 4.060 4.060 4.216 -0.157 25834 111 1 . 1 1 20 20 ILE C C 20 175.806 175.806 176.259 -0.453 25834 112 1 . 1 1 20 20 ILE CA C 20 60.980 60.980 61.050 -0.070 25834 113 1 . 1 1 20 20 ILE CB C 20 38.690 38.690 38.403 0.287 25834 114 1 . 1 1 20 20 ILE H H 20 8.038 8.038 8.451 -0.413 25834 115 1 . 1 1 21 21 ALA N N 21 128.175 128.175 130.605 -2.430 25834 116 1 . 1 1 21 21 ALA HA H 21 4.185 4.185 4.427 -0.242 25834 117 1 . 1 1 21 21 ALA C C 21 175.942 175.942 176.839 -0.897 25834 118 1 . 1 1 21 21 ALA CA C 21 52.447 52.447 51.795 0.652 25834 119 1 . 1 1 21 21 ALA CB C 21 19.297 19.297 19.763 -0.466 25834 120 1 . 1 1 21 21 ALA H H 21 8.224 8.224 8.283 -0.059 25834 121 1 . 1 1 22 22 LYS N N 22 120.107 120.107 121.462 -1.355 25834 122 1 . 1 1 22 22 LYS HA H 22 4.227 4.227 4.539 -0.312 25834 123 1 . 1 1 22 22 LYS C C 22 174.303 174.303 174.738 -0.434 25834 124 1 . 1 1 22 22 LYS CA C 22 53.397 53.397 54.802 -1.405 25834 125 1 . 1 1 22 22 LYS CB C 22 34.459 34.459 32.361 2.098 25834 126 1 . 1 1 22 22 LYS H H 22 7.903 7.903 8.392 -0.489 25834 127 1 . 1 1 26 26 PRO HA H 26 4.343 4.343 4.463 -0.120 25834 128 1 . 1 1 26 26 PRO CA C 26 62.693 62.693 62.671 0.022 25834 129 1 . 1 1 26 26 PRO CB C 26 32.060 32.060 32.444 -0.384 25834 130 1 . 1 1 27 27 LYS N N 27 121.752 121.752 120.123 1.629 25834 131 1 . 1 1 27 27 LYS HA H 27 4.214 4.214 4.473 -0.259 25834 132 1 . 1 1 27 27 LYS C C 27 176.450 176.450 176.458 -0.008 25834 133 1 . 1 1 27 27 LYS CA C 27 56.209 56.209 55.637 0.572 25834 134 1 . 1 1 27 27 LYS CB C 27 32.935 32.935 32.925 0.010 25834 135 1 . 1 1 27 27 LYS H H 27 8.253 8.253 8.271 -0.018 25834 136 1 . 1 1 28 28 VAL N N 28 123.000 123.000 119.028 3.972 25834 137 1 . 1 1 28 28 VAL HA H 28 4.004 4.004 4.098 -0.094 25834 138 1 . 1 1 28 28 VAL C C 28 175.672 175.672 175.749 -0.077 25834 139 1 . 1 1 28 28 VAL CA C 28 62.268 62.268 61.905 0.363 25834 140 1 . 1 1 28 28 VAL CB C 28 32.882 32.882 32.506 0.376 25834 141 1 . 1 1 28 28 VAL H H 28 8.128 8.128 8.185 -0.057 25834 142 1 . 1 1 29 29 VAL N N 29 126.899 126.899 122.731 4.168 25834 143 1 . 1 1 29 29 VAL HA H 29 3.871 3.871 4.241 -0.370 25834 144 1 . 1 1 29 29 VAL C C 29 174.835 174.835 175.738 -0.903 25834 145 1 . 1 1 29 29 VAL CA C 29 62.288 62.288 62.187 0.101 25834 146 1 . 1 1 29 29 VAL CB C 29 32.811 32.811 32.805 0.006 25834 147 1 . 1 1 29 29 VAL H H 29 8.144 8.144 8.246 -0.102 25834 148 1 . 1 1 30 30 GLU N N 30 125.745 125.745 125.157 0.589 25834 149 1 . 1 1 30 30 GLU HA H 30 4.187 4.187 4.441 -0.254 25834 150 1 . 1 1 30 30 GLU C C 30 177.203 177.203 175.665 1.538 25834 151 1 . 1 1 30 30 GLU CA C 30 55.688 55.688 55.831 -0.143 25834 152 1 . 1 1 30 30 GLU CB C 30 30.501 30.501 31.021 -0.520 25834 153 1 . 1 1 30 30 GLU H H 30 8.239 8.239 8.428 -0.189 25834 154 1 . 1 1 31 31 LEU N N 31 125.229 125.229 120.460 4.769 25834 155 1 . 1 1 31 31 LEU HA H 31 4.827 4.827 4.436 0.391 25834 156 1 . 1 1 31 31 LEU C C 31 178.237 178.237 176.589 1.648 25834 157 1 . 1 1 31 31 LEU CA C 31 54.633 54.633 54.929 -0.296 25834 158 1 . 1 1 31 31 LEU CB C 31 43.356 43.356 42.314 1.042 25834 159 1 . 1 1 31 31 LEU H H 31 8.513 8.513 8.343 0.170 25834 160 1 . 1 1 32 32 THR N N 32 113.162 113.162 114.053 -0.891 25834 161 1 . 1 1 32 32 THR HA H 32 4.184 4.184 4.457 -0.273 25834 162 1 . 1 1 32 32 THR C C 32 174.923 174.923 175.406 -0.483 25834 163 1 . 1 1 32 32 THR CA C 32 61.002 61.002 60.894 0.108 25834 164 1 . 1 1 32 32 THR CB C 32 70.848 70.848 70.312 0.536 25834 165 1 . 1 1 32 32 THR H H 32 8.444 8.444 8.041 0.403 25834 166 1 . 1 1 33 33 GLU N N 33 119.849 119.849 120.849 -1.000 25834 167 1 . 1 1 33 33 GLU HA H 33 3.756 3.756 4.017 -0.261 25834 168 1 . 1 1 33 33 GLU C C 33 178.906 178.906 178.245 0.661 25834 169 1 . 1 1 33 33 GLU CA C 33 59.855 59.855 59.337 0.517 25834 170 1 . 1 1 33 33 GLU CB C 33 28.903 28.903 29.023 -0.120 25834 171 1 . 1 1 33 33 GLU H H 33 8.614 8.614 8.832 -0.218 25834 172 1 . 1 1 34 34 ALA N N 34 118.382 118.382 121.421 -3.039 25834 173 1 . 1 1 34 34 ALA HA H 34 3.970 3.970 4.232 -0.262 25834 174 1 . 1 1 34 34 ALA C C 34 180.554 180.554 178.894 1.660 25834 175 1 . 1 1 34 34 ALA CA C 34 54.583 54.583 53.902 0.681 25834 176 1 . 1 1 34 34 ALA CB C 34 18.776 18.776 18.063 0.713 25834 177 1 . 1 1 34 34 ALA H H 34 8.102 8.102 8.221 -0.119 25834 178 1 . 1 1 35 35 ALA N N 35 121.658 121.658 120.165 1.493 25834 179 1 . 1 1 35 35 ALA HA H 35 3.845 3.845 4.187 -0.342 25834 180 1 . 1 1 35 35 ALA C C 35 178.231 178.231 179.004 -0.773 25834 181 1 . 1 1 35 35 ALA CA C 35 54.506 54.506 54.397 0.109 25834 182 1 . 1 1 35 35 ALA CB C 35 19.145 19.145 18.643 0.502 25834 183 1 . 1 1 35 35 ALA H H 35 7.456 7.456 7.988 -0.532 25834 184 1 . 1 1 36 36 LYS N N 36 114.479 114.479 117.285 -2.806 25834 185 1 . 1 1 36 36 LYS HA H 36 3.856 3.856 4.172 -0.316 25834 186 1 . 1 1 36 36 LYS C C 36 176.884 176.884 177.800 -0.915 25834 187 1 . 1 1 36 36 LYS CA C 36 58.800 58.800 58.002 0.798 25834 188 1 . 1 1 36 36 LYS CB C 36 32.820 32.820 32.319 0.501 25834 189 1 . 1 1 36 36 LYS H H 36 7.897 7.897 7.782 0.115 25834 190 1 . 1 1 37 37 GLN N N 37 114.203 114.203 117.945 -3.743 25834 191 1 . 1 1 37 37 GLN HA H 37 4.200 4.200 4.282 -0.082 25834 192 1 . 1 1 37 37 GLN C C 37 176.478 176.478 176.057 0.421 25834 193 1 . 1 1 37 37 GLN CA C 37 55.119 55.119 56.179 -1.060 25834 194 1 . 1 1 37 37 GLN CB C 37 28.383 28.383 29.018 -0.635 25834 195 1 . 1 1 37 37 GLN H H 37 6.970 6.970 7.853 -0.883 25834 196 1 . 1 1 38 38 LEU N N 38 120.478 120.478 119.988 0.490 25834 197 1 . 1 1 38 38 LEU HA H 38 3.845 3.845 4.527 -0.682 25834 198 1 . 1 1 38 38 LEU C C 38 171.820 171.820 175.341 -3.521 25834 199 1 . 1 1 38 38 LEU CA C 38 53.862 53.862 53.123 0.739 25834 200 1 . 1 1 38 38 LEU CB C 38 40.017 40.017 41.091 -1.074 25834 201 1 . 1 1 38 38 LEU H H 38 7.155 7.155 7.569 -0.415 25834 202 1 . 1 1 39 39 PRO HA H 39 4.325 4.325 4.427 -0.102 25834 203 1 . 1 1 39 39 PRO CA C 39 62.950 62.950 62.352 0.598 25834 204 1 . 1 1 39 39 PRO CB C 39 32.082 32.082 32.139 -0.057 25834 205 1 . 1 1 40 40 GLN N N 40 125.695 125.695 119.458 6.237 25834 206 1 . 1 1 40 40 GLN HA H 40 3.784 3.784 4.077 -0.293 25834 207 1 . 1 1 40 40 GLN C C 40 177.994 177.994 177.322 0.672 25834 208 1 . 1 1 40 40 GLN CA C 40 59.489 59.489 55.900 3.589 25834 209 1 . 1 1 40 40 GLN CB C 40 28.127 28.127 29.142 -1.015 25834 210 1 . 1 1 40 40 GLN H H 40 9.245 9.245 8.297 0.948 25834 211 1 . 1 1 41 41 HIS N N 41 125.870 125.870 118.331 7.539 25834 212 1 . 1 1 41 41 HIS HA H 41 4.529 4.529 4.223 0.306 25834 213 1 . 1 1 41 41 HIS CA C 41 58.408 58.408 59.538 -1.130 25834 214 1 . 1 1 41 41 HIS CB C 41 29.389 29.389 29.500 -0.111 25834 215 1 . 1 1 41 41 HIS H H 41 11.289 11.289 8.647 2.642 25834 216 1 . 1 1 42 42 ILE N N 42 119.609 119.609 116.115 3.494 25834 217 1 . 1 1 42 42 ILE HA H 42 3.867 3.867 3.929 -0.062 25834 218 1 . 1 1 42 42 ILE C C 42 178.715 178.715 177.377 1.338 25834 219 1 . 1 1 42 42 ILE CA C 42 60.123 60.123 63.323 -3.200 25834 220 1 . 1 1 42 42 ILE CB C 42 35.548 35.548 37.187 -1.639 25834 221 1 . 1 1 42 42 ILE H H 42 6.700 6.700 7.557 -0.857 25834 222 1 . 1 1 43 43 ILE N N 43 122.532 122.532 119.963 2.569 25834 223 1 . 1 1 43 43 ILE HA H 43 3.499 3.499 3.952 -0.453 25834 224 1 . 1 1 43 43 ILE C C 43 178.325 178.325 177.760 0.565 25834 225 1 . 1 1 43 43 ILE CA C 43 65.537 65.537 63.127 2.410 25834 226 1 . 1 1 43 43 ILE CB C 43 38.238 38.238 37.543 0.695 25834 227 1 . 1 1 43 43 ILE H H 43 7.673 7.673 7.609 0.064 25834 228 1 . 1 1 44 44 GLY N N 44 101.559 101.559 107.179 -5.620 25834 229 1 . 1 1 44 44 GLY C C 44 174.914 174.914 174.974 -0.060 25834 230 1 . 1 1 44 44 GLY CA C 44 46.363 46.363 46.806 -0.443 25834 231 1 . 1 1 44 44 GLY H H 44 7.938 7.938 8.117 -0.179 25834 232 1 . 1 1 45 45 VAL N N 45 106.862 106.862 118.880 -12.018 25834 233 1 . 1 1 45 45 VAL HA H 45 4.758 4.758 4.285 0.473 25834 234 1 . 1 1 45 45 VAL C C 45 175.397 175.397 175.929 -0.532 25834 235 1 . 1 1 45 45 VAL CA C 45 60.531 60.531 62.030 -1.499 25834 236 1 . 1 1 45 45 VAL CB C 45 33.024 33.024 32.916 0.107 25834 237 1 . 1 1 45 45 VAL H H 45 6.843 6.843 7.253 -0.410 25834 238 1 . 1 1 46 46 THR N N 46 117.226 117.226 114.781 2.445 25834 239 1 . 1 1 46 46 THR HA H 46 4.447 4.447 4.153 0.294 25834 240 1 . 1 1 46 46 THR C C 46 172.087 172.087 174.269 -2.182 25834 241 1 . 1 1 46 46 THR CA C 46 62.571 62.571 62.332 0.239 25834 242 1 . 1 1 46 46 THR CB C 46 68.863 68.863 69.650 -0.786 25834 243 1 . 1 1 46 46 THR H H 46 7.093 7.093 7.368 -0.275 25834 244 1 . 1 1 47 47 ASP N N 47 127.436 127.436 122.077 5.359 25834 245 1 . 1 1 47 47 ASP HA H 47 4.617 4.617 4.771 -0.154 25834 246 1 . 1 1 47 47 ASP C C 47 174.684 174.684 176.799 -2.115 25834 247 1 . 1 1 47 47 ASP CA C 47 52.604 52.604 52.922 -0.318 25834 248 1 . 1 1 47 47 ASP CB C 47 42.737 42.737 41.473 1.264 25834 249 1 . 1 1 47 47 ASP H H 47 7.612 7.612 8.505 -0.893 25834 250 1 . 1 1 48 48 PRO HA H 48 3.989 3.989 4.377 -0.388 25834 251 1 . 1 1 48 48 PRO CA C 48 65.028 65.028 65.352 -0.324 25834 252 1 . 1 1 48 48 PRO CB C 48 32.280 32.280 32.023 0.257 25834 253 1 . 1 1 49 49 THR N N 49 114.121 114.121 112.555 1.566 25834 254 1 . 1 1 49 49 THR HA H 49 4.189 4.189 4.315 -0.126 25834 255 1 . 1 1 49 49 THR C C 49 177.000 177.000 176.371 0.629 25834 256 1 . 1 1 49 49 THR CA C 49 66.844 66.844 64.681 2.163 25834 257 1 . 1 1 49 49 THR CB C 49 67.824 67.824 68.763 -0.939 25834 258 1 . 1 1 49 49 THR H H 49 7.942 7.942 8.289 -0.347 25834 259 1 . 1 1 50 50 LYS N N 50 123.787 123.787 122.641 1.146 25834 260 1 . 1 1 50 50 LYS HA H 50 3.917 3.917 4.305 -0.388 25834 261 1 . 1 1 50 50 LYS C C 50 177.547 177.547 178.533 -0.986 25834 262 1 . 1 1 50 50 LYS CA C 50 58.732 58.732 58.730 0.002 25834 263 1 . 1 1 50 50 LYS CB C 50 33.315 33.315 32.143 1.172 25834 264 1 . 1 1 50 50 LYS H H 50 7.070 7.070 7.877 -0.807 25834 265 1 . 1 1 51 51 LEU N N 51 115.307 115.307 117.409 -2.102 25834 266 1 . 1 1 51 51 LEU HA H 51 3.805 3.805 4.100 -0.295 25834 267 1 . 1 1 51 51 LEU C C 51 178.314 178.314 178.039 0.275 25834 268 1 . 1 1 51 51 LEU CA C 51 57.994 57.994 57.835 0.159 25834 269 1 . 1 1 51 51 LEU CB C 51 41.216 41.216 41.540 -0.324 25834 270 1 . 1 1 51 51 LEU H H 51 7.439 7.439 8.010 -0.571 25834 271 1 . 1 1 52 52 ASN N N 52 115.979 115.979 117.691 -1.712 25834 272 1 . 1 1 52 52 ASN HA H 52 4.272 4.272 4.523 -0.251 25834 273 1 . 1 1 52 52 ASN C C 52 178.387 178.387 177.208 1.179 25834 274 1 . 1 1 52 52 ASN CA C 52 55.165 55.165 55.583 -0.417 25834 275 1 . 1 1 52 52 ASN CB C 52 37.891 37.891 38.574 -0.683 25834 276 1 . 1 1 52 52 ASN H H 52 8.533 8.533 7.843 0.690 25834 277 1 . 1 1 53 53 ALA N N 53 119.261 119.261 121.750 -2.489 25834 278 1 . 1 1 53 53 ALA HA H 53 4.230 4.230 4.273 -0.043 25834 279 1 . 1 1 53 53 ALA C C 53 179.957 179.957 179.289 0.668 25834 280 1 . 1 1 53 53 ALA CA C 53 54.037 54.037 54.435 -0.398 25834 281 1 . 1 1 53 53 ALA CB C 53 19.322 19.322 18.409 0.913 25834 282 1 . 1 1 53 53 ALA H H 53 7.681 7.681 7.529 0.152 25834 283 1 . 1 1 54 54 GLN N N 54 111.586 111.586 115.729 -4.143 25834 284 1 . 1 1 54 54 GLN HA H 54 4.406 4.406 4.360 0.046 25834 285 1 . 1 1 54 54 GLN C C 54 178.500 178.500 177.398 1.102 25834 286 1 . 1 1 54 54 GLN CA C 54 57.793 57.793 57.343 0.450 25834 287 1 . 1 1 54 54 GLN CB C 54 29.431 29.431 29.307 0.124 25834 288 1 . 1 1 54 54 GLN H H 54 7.905 7.905 7.700 0.205 25834 289 1 . 1 1 55 55 VAL N N 55 120.362 120.362 119.668 0.694 25834 290 1 . 1 1 55 55 VAL HA H 55 4.205 4.205 4.021 0.184 25834 291 1 . 1 1 55 55 VAL C C 55 174.795 174.795 176.884 -2.088 25834 292 1 . 1 1 55 55 VAL CA C 55 64.682 64.682 64.191 0.491 25834 293 1 . 1 1 55 55 VAL CB C 55 30.387 30.387 31.538 -1.151 25834 294 1 . 1 1 55 55 VAL H H 55 8.137 8.137 7.602 0.535 25834 295 1 . 1 1 56 56 SER N N 56 114.478 114.478 113.582 0.896 25834 296 1 . 1 1 56 56 SER HA H 56 3.882 3.882 4.197 -0.315 25834 297 1 . 1 1 56 56 SER C C 56 174.256 174.256 174.718 -0.462 25834 298 1 . 1 1 56 56 SER CA C 56 60.480 60.480 59.726 0.754 25834 299 1 . 1 1 56 56 SER CB C 56 62.427 62.427 63.009 -0.582 25834 300 1 . 1 1 56 56 SER H H 56 7.899 7.899 7.971 -0.072 25834 301 1 . 1 1 57 57 TYR N N 57 117.315 117.315 118.455 -1.140 25834 302 1 . 1 1 57 57 TYR HA H 57 4.337 4.337 4.495 -0.158 25834 303 1 . 1 1 57 57 TYR C C 57 175.570 175.570 175.276 0.294 25834 304 1 . 1 1 57 57 TYR CA C 57 58.673 58.673 58.966 -0.293 25834 305 1 . 1 1 57 57 TYR CB C 57 40.264 40.264 40.591 -0.327 25834 306 1 . 1 1 57 57 TYR H H 57 7.662 7.662 7.522 0.140 25834 307 1 . 1 1 58 58 PHE N N 58 118.544 118.544 115.143 3.401 25834 308 1 . 1 1 58 58 PHE HA H 58 4.406 4.406 4.796 -0.390 25834 309 1 . 1 1 58 58 PHE C C 58 171.715 171.715 173.649 -1.934 25834 310 1 . 1 1 58 58 PHE CA C 58 57.489 57.489 56.741 0.748 25834 311 1 . 1 1 58 58 PHE CB C 58 41.401 41.401 41.076 0.325 25834 312 1 . 1 1 58 58 PHE H H 58 7.727 7.727 7.921 -0.194 25834 313 1 . 1 1 59 59 GLN N N 59 127.699 127.699 120.984 6.715 25834 314 1 . 1 1 59 59 GLN HA H 59 3.717 3.717 4.526 -0.809 25834 315 1 . 1 1 59 59 GLN C C 59 172.421 172.421 175.461 -3.040 25834 316 1 . 1 1 59 59 GLN CA C 59 54.212 54.212 54.312 -0.100 25834 317 1 . 1 1 59 59 GLN CB C 59 26.945 26.945 30.407 -3.462 25834 318 1 . 1 1 59 59 GLN H H 59 7.909 7.909 8.560 -0.651 25834 319 1 . 1 1 60 60 CYS N N 60 125.668 125.668 123.610 2.058 25834 320 1 . 1 1 60 60 CYS HA H 60 3.278 3.278 4.585 -1.307 25834 321 1 . 1 1 60 60 CYS C C 60 171.317 171.317 173.730 -2.413 25834 322 1 . 1 1 60 60 CYS CA C 60 57.423 57.423 56.166 1.257 25834 323 1 . 1 1 60 60 CYS CB C 60 26.588 26.588 27.818 -1.230 25834 324 1 . 1 1 60 60 CYS H H 60 6.802 6.802 8.538 -1.736 25834 325 1 . 1 1 62 62 PRO HA H 62 4.102 4.102 4.276 -0.174 25834 326 1 . 1 1 62 62 PRO CA C 62 64.470 64.470 64.788 -0.318 25834 327 1 . 1 1 62 62 PRO CB C 62 31.620 31.620 31.989 -0.368 25834 328 1 . 1 1 63 63 TRP N N 63 110.609 110.609 114.945 -4.336 25834 329 1 . 1 1 63 63 TRP HA H 63 4.432 4.432 4.583 -0.151 25834 330 1 . 1 1 63 63 TRP C C 63 176.764 176.764 174.844 1.920 25834 331 1 . 1 1 63 63 TRP CA C 63 54.009 54.009 55.553 -1.544 25834 332 1 . 1 1 63 63 TRP CB C 63 28.358 28.358 28.276 0.082 25834 333 1 . 1 1 63 63 TRP H H 63 6.172 6.172 7.373 -1.201 25834 334 1 . 1 1 64 64 ALA N N 64 124.983 124.983 121.258 3.725 25834 335 1 . 1 1 64 64 ALA HA H 64 5.416 5.416 4.502 0.914 25834 336 1 . 1 1 64 64 ALA C C 64 176.025 176.025 177.045 -1.020 25834 337 1 . 1 1 64 64 ALA CA C 64 51.637 51.637 51.497 0.140 25834 338 1 . 1 1 64 64 ALA CB C 64 21.355 21.355 19.378 1.977 25834 339 1 . 1 1 64 64 ALA H H 64 7.038 7.038 6.568 0.470 25834 340 1 . 1 1 65 65 ALA N N 65 120.111 120.111 123.150 -3.039 25834 341 1 . 1 1 65 65 ALA HA H 65 4.605 4.605 4.027 0.578 25834 342 1 . 1 1 65 65 ALA C C 65 175.012 175.012 176.373 -1.360 25834 343 1 . 1 1 65 65 ALA CA C 65 50.868 50.868 53.023 -2.155 25834 344 1 . 1 1 65 65 ALA CB C 65 23.722 23.722 17.577 6.145 25834 345 1 . 1 1 65 65 ALA H H 65 8.344 8.344 8.333 0.011 25834 346 1 . 1 1 66 66 LEU N N 66 118.667 118.667 117.993 0.674 25834 347 1 . 1 1 66 66 LEU HA H 66 3.983 3.983 4.573 -0.590 25834 348 1 . 1 1 66 66 LEU CA C 66 53.187 53.187 52.060 1.127 25834 349 1 . 1 1 66 66 LEU CB C 66 42.535 42.535 42.998 -0.463 25834 350 1 . 1 1 66 66 LEU H H 66 8.272 8.272 7.786 0.486 25834 351 1 . 1 1 67 67 PRO HA H 67 3.151 3.151 4.210 -1.059 25834 352 1 . 1 1 67 67 PRO CA C 67 63.120 63.120 62.487 0.633 25834 353 1 . 1 1 67 67 PRO CB C 67 31.810 31.810 31.965 -0.155 25834 354 1 . 1 1 68 68 SER N N 68 118.916 118.916 115.509 3.407 25834 355 1 . 1 1 68 68 SER HA H 68 4.197 4.197 4.555 -0.358 25834 356 1 . 1 1 68 68 SER C C 68 173.454 173.454 173.132 0.322 25834 357 1 . 1 1 68 68 SER CA C 68 57.667 57.667 58.604 -0.937 25834 358 1 . 1 1 68 68 SER CB C 68 63.129 63.129 64.125 -0.996 25834 359 1 . 1 1 68 68 SER H H 68 6.468 6.468 8.569 -2.101 25834 360 1 . 1 1 69 69 VAL N N 69 119.159 119.159 120.001 -0.842 25834 361 1 . 1 1 69 69 VAL HA H 69 4.206 4.206 4.265 -0.059 25834 362 1 . 1 1 69 69 VAL C C 69 174.162 174.162 174.484 -0.322 25834 363 1 . 1 1 69 69 VAL CA C 69 60.536 60.536 60.970 -0.434 25834 364 1 . 1 1 69 69 VAL CB C 69 34.809 34.809 34.875 -0.066 25834 365 1 . 1 1 69 69 VAL H H 69 6.702 6.702 7.398 -0.696 25834 366 1 . 1 1 70 70 ALA N N 70 128.571 128.571 128.849 -0.278 25834 367 1 . 1 1 70 70 ALA HA H 70 4.224 4.224 4.846 -0.622 25834 368 1 . 1 1 70 70 ALA C C 70 176.888 176.888 176.687 0.201 25834 369 1 . 1 1 70 70 ALA CA C 70 52.890 52.890 51.737 1.153 25834 370 1 . 1 1 70 70 ALA CB C 70 18.718 18.718 18.588 0.130 25834 371 1 . 1 1 70 70 ALA H H 70 8.486 8.486 8.590 -0.104 25834 372 1 . 1 1 71 71 CYS N N 71 120.365 120.365 121.394 -1.029 25834 373 1 . 1 1 71 71 CYS HA H 71 5.446 5.446 5.100 0.346 25834 374 1 . 1 1 71 71 CYS C C 71 173.126 173.126 173.320 -0.194 25834 375 1 . 1 1 71 71 CYS CA C 71 58.111 58.111 56.860 1.251 25834 376 1 . 1 1 71 71 CYS CB C 71 31.733 31.733 31.353 0.380 25834 377 1 . 1 1 71 71 CYS H H 71 8.222 8.222 8.738 -0.516 25834 378 1 . 1 1 72 72 HIS N N 72 114.002 114.002 114.973 -0.971 25834 379 1 . 1 1 72 72 HIS HA H 72 4.853 4.853 5.074 -0.221 25834 380 1 . 1 1 72 72 HIS CA C 72 54.934 54.934 54.567 0.367 25834 381 1 . 1 1 72 72 HIS CB C 72 31.458 31.458 32.269 -0.811 25834 382 1 . 1 1 72 72 HIS H H 72 9.033 9.033 8.527 0.506 25834 383 1 . 1 1 73 73 LEU N N 73 117.312 117.312 120.618 -3.306 25834 384 1 . 1 1 73 73 LEU HA H 73 5.023 5.023 4.613 0.410 25834 385 1 . 1 1 73 73 LEU C C 73 176.776 176.776 174.925 1.851 25834 386 1 . 1 1 73 73 LEU CA C 73 52.634 52.634 53.349 -0.715 25834 387 1 . 1 1 73 73 LEU CB C 73 42.362 42.362 45.410 -3.048 25834 388 1 . 1 1 73 73 LEU H H 73 9.300 9.300 8.209 1.091 25834 389 1 . 1 1 74 74 GLN N N 74 125.734 125.734 124.597 1.137 25834 390 1 . 1 1 74 74 GLN HA H 74 4.585 4.585 4.652 -0.067 25834 391 1 . 1 1 74 74 GLN C C 74 175.495 175.495 173.854 1.641 25834 392 1 . 1 1 74 74 GLN CA C 74 54.965 54.965 54.465 0.500 25834 393 1 . 1 1 74 74 GLN CB C 74 30.517 30.517 31.887 -1.370 25834 394 1 . 1 1 74 74 GLN H H 74 9.117 9.117 8.487 0.630 25834 395 1 . 1 1 75 75 CYS N N 75 129.141 129.141 124.990 4.151 25834 396 1 . 1 1 75 75 CYS HA H 75 5.047 5.047 5.582 -0.535 25834 397 1 . 1 1 75 75 CYS C C 75 173.524 173.524 174.587 -1.063 25834 398 1 . 1 1 75 75 CYS CA C 75 57.494 57.494 56.149 1.345 25834 399 1 . 1 1 75 75 CYS CB C 75 29.293 29.293 31.330 -2.037 25834 400 1 . 1 1 75 75 CYS H H 75 9.362 9.362 8.860 0.502 25834 401 1 . 1 1 76 76 THR N N 76 120.173 120.173 115.193 4.980 25834 402 1 . 1 1 76 76 THR HA H 76 5.014 5.014 4.900 0.114 25834 403 1 . 1 1 76 76 THR C C 76 172.958 172.958 173.822 -0.864 25834 404 1 . 1 1 76 76 THR CA C 76 59.790 59.790 60.160 -0.370 25834 405 1 . 1 1 76 76 THR CB C 76 72.870 72.870 70.420 2.450 25834 406 1 . 1 1 76 76 THR H H 76 8.477 8.477 8.055 0.422 25834 407 1 . 1 1 77 77 ARG N N 77 121.783 121.783 120.485 1.298 25834 408 1 . 1 1 77 77 ARG HA H 77 4.412 4.412 4.521 -0.109 25834 409 1 . 1 1 77 77 ARG C C 77 175.808 175.808 175.202 0.606 25834 410 1 . 1 1 77 77 ARG CA C 77 55.721 55.721 55.846 -0.125 25834 411 1 . 1 1 77 77 ARG CB C 77 33.164 33.164 32.197 0.967 25834 412 1 . 1 1 77 77 ARG H H 77 8.769 8.769 7.986 0.783 25834 413 1 . 1 1 78 78 ASP N N 78 130.879 130.879 124.500 6.379 25834 414 1 . 1 1 78 78 ASP HA H 78 4.190 4.190 4.314 -0.124 25834 415 1 . 1 1 78 78 ASP C C 78 175.472 175.472 176.371 -0.899 25834 416 1 . 1 1 78 78 ASP CA C 78 55.709 55.709 55.163 0.546 25834 417 1 . 1 1 78 78 ASP CB C 78 39.661 39.661 39.587 0.074 25834 418 1 . 1 1 78 78 ASP H H 78 9.499 9.499 9.106 0.393 25834 419 1 . 1 1 79 79 GLY N N 79 102.423 102.423 103.254 -0.831 25834 420 1 . 1 1 79 79 GLY C C 79 173.613 173.613 173.994 -0.381 25834 421 1 . 1 1 79 79 GLY CA C 79 44.962 44.962 45.124 -0.162 25834 422 1 . 1 1 79 79 GLY H H 79 8.361 8.361 8.443 -0.082 25834 423 1 . 1 1 80 80 LEU N N 80 123.754 123.754 121.747 2.007 25834 424 1 . 1 1 80 80 LEU HA H 80 4.987 4.987 4.667 0.320 25834 425 1 . 1 1 80 80 LEU C C 80 174.659 174.659 174.921 -0.262 25834 426 1 . 1 1 80 80 LEU CA C 80 52.190 52.190 51.255 0.935 25834 427 1 . 1 1 80 80 LEU CB C 80 42.053 42.053 43.020 -0.967 25834 428 1 . 1 1 80 80 LEU H H 80 7.775 7.775 7.647 0.129 25834 429 1 . 1 1 81 81 PRO HA H 81 4.567 4.567 4.404 0.163 25834 430 1 . 1 1 81 81 PRO CA C 81 62.860 62.860 62.567 0.293 25834 431 1 . 1 1 81 81 PRO CB C 81 32.460 32.460 30.763 1.697 25834 432 1 . 1 1 82 82 LEU N N 82 126.089 126.089 125.232 0.856 25834 433 1 . 1 1 82 82 LEU HA H 82 4.989 4.989 4.456 0.533 25834 434 1 . 1 1 82 82 LEU C C 82 174.148 174.148 176.114 -1.966 25834 435 1 . 1 1 82 82 LEU CA C 82 52.635 52.635 53.016 -0.380 25834 436 1 . 1 1 82 82 LEU CB C 82 43.001 43.001 41.727 1.274 25834 437 1 . 1 1 82 82 LEU H H 82 8.131 8.131 7.708 0.423 25834 438 1 . 1 1 83 83 PRO HA H 83 4.190 4.190 4.437 -0.247 25834 439 1 . 1 1 83 83 PRO CA C 83 63.840 63.840 62.736 1.104 25834 440 1 . 1 1 83 83 PRO CB C 83 32.080 32.080 31.599 0.481 25834 441 1 . 1 1 84 84 ALA N N 84 123.359 123.359 127.227 -3.868 25834 442 1 . 1 1 84 84 ALA HA H 84 4.191 4.191 4.518 -0.327 25834 443 1 . 1 1 84 84 ALA C C 84 178.112 178.112 176.730 1.382 25834 444 1 . 1 1 84 84 ALA CA C 84 51.754 51.754 52.203 -0.449 25834 445 1 . 1 1 84 84 ALA CB C 84 21.142 21.142 20.298 0.844 25834 446 1 . 1 1 84 84 ALA H H 84 8.063 8.063 8.338 -0.275 25834 447 1 . 1 1 85 85 LEU N N 85 118.757 118.757 121.788 -3.031 25834 448 1 . 1 1 85 85 LEU HA H 85 4.633 4.633 4.546 0.086 25834 449 1 . 1 1 85 85 LEU C C 85 177.225 177.225 176.833 0.392 25834 450 1 . 1 1 85 85 LEU CA C 85 53.358 53.358 54.178 -0.820 25834 451 1 . 1 1 85 85 LEU CB C 85 42.169 42.169 45.830 -3.661 25834 452 1 . 1 1 85 85 LEU H H 85 8.393 8.393 8.218 0.175 25834 453 1 . 1 1 86 86 GLY N N 86 112.143 112.143 110.376 1.767 25834 454 1 . 1 1 86 86 GLY C C 86 173.704 173.704 174.866 -1.162 25834 455 1 . 1 1 86 86 GLY CA C 86 46.880 46.880 45.325 1.555 25834 456 1 . 1 1 86 86 GLY H H 86 9.046 9.046 8.711 0.335 25834 457 1 . 1 1 87 87 LEU N N 87 123.289 123.289 127.202 -3.913 25834 458 1 . 1 1 87 87 LEU HA H 87 4.531 4.531 4.196 0.335 25834 459 1 . 1 1 87 87 LEU C C 87 177.568 177.568 176.757 0.811 25834 460 1 . 1 1 87 87 LEU CA C 87 53.959 53.959 54.598 -0.639 25834 461 1 . 1 1 87 87 LEU CB C 87 42.911 42.911 39.861 3.050 25834 462 1 . 1 1 87 87 LEU H H 87 7.934 7.934 8.226 -0.292 25834 463 1 . 1 1 88 88 HIS N N 88 116.221 116.221 117.266 -1.044 25834 464 1 . 1 1 88 88 HIS HA H 88 4.871 4.871 5.287 -0.416 25834 465 1 . 1 1 88 88 HIS CA C 88 57.568 57.568 54.763 2.805 25834 466 1 . 1 1 88 88 HIS CB C 88 31.776 31.776 30.120 1.656 25834 467 1 . 1 1 88 88 HIS H H 88 9.253 9.253 7.982 1.271 25834 468 1 . 1 1 89 89 ARG N N 89 118.280 118.280 118.933 -0.653 25834 469 1 . 1 1 89 89 ARG HA H 89 4.040 4.040 4.368 -0.328 25834 470 1 . 1 1 89 89 ARG C C 89 175.205 175.205 176.214 -1.009 25834 471 1 . 1 1 89 89 ARG CA C 89 57.531 57.531 57.742 -0.211 25834 472 1 . 1 1 89 89 ARG CB C 89 31.803 31.803 30.562 1.240 25834 473 1 . 1 1 89 89 ARG H H 89 7.300 7.300 8.465 -1.165 25834 474 1 . 1 1 90 90 PHE N N 90 113.880 113.880 116.435 -2.555 25834 475 1 . 1 1 90 90 PHE HA H 90 5.403 5.403 4.752 0.651 25834 476 1 . 1 1 90 90 PHE C C 90 172.663 172.663 173.670 -1.007 25834 477 1 . 1 1 90 90 PHE CA C 90 52.355 52.355 54.655 -2.300 25834 478 1 . 1 1 90 90 PHE CB C 90 41.110 41.110 41.498 -0.388 25834 479 1 . 1 1 90 90 PHE H H 90 7.252 7.252 7.750 -0.498 25834 480 1 . 1 1 91 91 PRO HA H 91 4.849 4.849 4.354 0.495 25834 481 1 . 1 1 91 91 PRO CA C 91 63.340 63.340 64.236 -0.896 25834 482 1 . 1 1 91 91 PRO CB C 91 32.970 32.970 31.943 1.027 25834 483 1 . 1 1 92 92 PHE N N 92 104.480 104.480 112.923 -8.443 25834 484 1 . 1 1 92 92 PHE HA H 92 5.973 5.973 5.372 0.601 25834 485 1 . 1 1 92 92 PHE C C 92 172.347 172.347 173.466 -1.119 25834 486 1 . 1 1 92 92 PHE CA C 92 55.360 55.360 55.593 -0.233 25834 487 1 . 1 1 92 92 PHE CB C 92 41.747 41.747 41.800 -0.053 25834 488 1 . 1 1 92 92 PHE H H 92 6.117 6.117 6.862 -0.745 25834 489 1 . 1 1 93 93 TYR N N 93 120.959 120.959 117.743 3.216 25834 490 1 . 1 1 93 93 TYR HA H 93 4.369 4.369 4.835 -0.466 25834 491 1 . 1 1 93 93 TYR C C 93 173.417 173.417 173.857 -0.440 25834 492 1 . 1 1 93 93 TYR CA C 93 57.388 57.388 57.099 0.289 25834 493 1 . 1 1 93 93 TYR CB C 93 43.450 43.450 41.539 1.911 25834 494 1 . 1 1 93 93 TYR H H 93 9.370 9.370 8.878 0.492 25834 495 1 . 1 1 94 94 LEU N N 94 123.359 123.359 123.413 -0.054 25834 496 1 . 1 1 94 94 LEU HA H 94 5.083 5.083 4.452 0.631 25834 497 1 . 1 1 94 94 LEU C C 94 176.045 176.045 175.090 0.955 25834 498 1 . 1 1 94 94 LEU CA C 94 54.107 54.107 53.995 0.112 25834 499 1 . 1 1 94 94 LEU CB C 94 45.173 45.173 44.196 0.977 25834 500 1 . 1 1 94 94 LEU H H 94 10.272 10.272 8.728 1.544 25834 501 1 . 1 1 95 95 PHE N N 95 119.493 119.493 122.484 -2.991 25834 502 1 . 1 1 95 95 PHE HA H 95 5.237 5.237 4.928 0.309 25834 503 1 . 1 1 95 95 PHE C C 95 175.870 175.870 175.097 0.773 25834 504 1 . 1 1 95 95 PHE CA C 95 55.769 55.769 56.153 -0.384 25834 505 1 . 1 1 95 95 PHE CB C 95 42.330 42.330 40.319 2.011 25834 506 1 . 1 1 95 95 PHE H H 95 8.761 8.761 8.602 0.159 25834 507 1 . 1 1 96 96 GLY N N 96 109.374 109.374 110.949 -1.575 25834 508 1 . 1 1 96 96 GLY C C 96 170.712 170.712 172.743 -2.031 25834 509 1 . 1 1 96 96 GLY CA C 96 46.386 46.386 46.197 0.189 25834 510 1 . 1 1 96 96 GLY H H 96 7.966 7.966 8.417 -0.451 25834 511 1 . 1 1 97 97 ARG N N 97 119.683 119.683 119.938 -0.255 25834 512 1 . 1 1 97 97 ARG HA H 97 4.649 4.649 4.722 -0.073 25834 513 1 . 1 1 97 97 ARG C C 97 177.225 177.225 176.154 1.071 25834 514 1 . 1 1 97 97 ARG CA C 97 57.499 57.499 55.700 1.799 25834 515 1 . 1 1 97 97 ARG CB C 97 31.874 31.874 31.633 0.242 25834 516 1 . 1 1 97 97 ARG H H 97 8.147 8.147 8.082 0.065 25834 517 1 . 1 1 98 98 SER N N 98 113.711 113.711 116.380 -2.669 25834 518 1 . 1 1 98 98 SER HA H 98 4.337 4.337 4.448 -0.111 25834 519 1 . 1 1 98 98 SER C C 98 176.172 176.172 175.303 0.870 25834 520 1 . 1 1 98 98 SER CA C 98 57.909 57.909 58.158 -0.249 25834 521 1 . 1 1 98 98 SER CB C 98 63.085 63.085 64.518 -1.433 25834 522 1 . 1 1 98 98 SER H H 98 9.133 9.133 7.692 1.441 25834 523 1 . 1 1 99 99 LYS N N 99 124.590 124.590 122.883 1.707 25834 524 1 . 1 1 99 99 LYS HA H 99 3.944 3.944 4.215 -0.271 25834 525 1 . 1 1 99 99 LYS C C 99 176.548 176.548 176.850 -0.302 25834 526 1 . 1 1 99 99 LYS CA C 99 58.193 58.193 57.961 0.232 25834 527 1 . 1 1 99 99 LYS CB C 99 31.661 31.661 31.766 -0.105 25834 528 1 . 1 1 99 99 LYS H H 99 8.451 8.451 8.766 -0.315 25834 529 1 . 1 1 100 100 VAL N N 100 114.126 114.126 113.305 0.821 25834 530 1 . 1 1 100 100 VAL HA H 100 3.898 3.898 4.096 -0.198 25834 531 1 . 1 1 100 100 VAL C C 100 176.832 176.832 176.272 0.560 25834 532 1 . 1 1 100 100 VAL CA C 100 62.964 62.964 62.106 0.858 25834 533 1 . 1 1 100 100 VAL CB C 100 31.693 31.693 31.265 0.428 25834 534 1 . 1 1 100 100 VAL H H 100 7.512 7.512 7.541 -0.029 25834 535 1 . 1 1 101 101 CYS N N 101 119.359 119.359 119.082 0.277 25834 536 1 . 1 1 101 101 CYS HA H 101 3.487 3.487 4.324 -0.837 25834 537 1 . 1 1 101 101 CYS C C 101 172.156 172.156 175.225 -3.069 25834 538 1 . 1 1 101 101 CYS CA C 101 61.155 61.155 59.659 1.496 25834 539 1 . 1 1 101 101 CYS CB C 101 26.848 26.848 29.430 -2.582 25834 540 1 . 1 1 101 101 CYS H H 101 7.641 7.641 7.341 0.300 25834 541 1 . 1 1 102 102 ASP N N 102 118.734 118.734 120.486 -1.752 25834 542 1 . 1 1 102 102 ASP HA H 102 3.929 3.929 4.470 -0.541 25834 543 1 . 1 1 102 102 ASP C C 102 175.410 175.410 175.452 -0.042 25834 544 1 . 1 1 102 102 ASP CA C 102 57.029 57.029 55.897 1.132 25834 545 1 . 1 1 102 102 ASP CB C 102 42.928 42.928 41.458 1.470 25834 546 1 . 1 1 102 102 ASP H H 102 7.367 7.367 8.385 -1.018 25834 547 1 . 1 1 103 103 TYR N N 103 114.004 114.004 119.016 -5.012 25834 548 1 . 1 1 103 103 TYR HA H 103 5.232 5.232 4.654 0.578 25834 549 1 . 1 1 103 103 TYR C C 103 172.997 172.997 173.735 -0.738 25834 550 1 . 1 1 103 103 TYR CA C 103 57.354 57.354 57.419 -0.065 25834 551 1 . 1 1 103 103 TYR CB C 103 39.280 39.280 41.389 -2.109 25834 552 1 . 1 1 103 103 TYR H H 103 7.111 7.111 7.568 -0.457 25834 553 1 . 1 1 104 104 VAL N N 104 124.660 124.660 126.521 -1.861 25834 554 1 . 1 1 104 104 VAL HA H 104 4.525 4.525 4.731 -0.206 25834 555 1 . 1 1 104 104 VAL C C 104 176.491 176.491 175.503 0.988 25834 556 1 . 1 1 104 104 VAL CA C 104 61.221 61.221 61.781 -0.560 25834 557 1 . 1 1 104 104 VAL CB C 104 31.806 31.806 31.981 -0.175 25834 558 1 . 1 1 104 104 VAL H H 104 8.210 8.210 8.419 -0.209 25834 559 1 . 1 1 105 105 LEU N N 105 130.546 130.546 129.562 0.984 25834 560 1 . 1 1 105 105 LEU HA H 105 4.567 4.567 4.973 -0.406 25834 561 1 . 1 1 105 105 LEU C C 105 175.794 175.794 175.991 -0.197 25834 562 1 . 1 1 105 105 LEU CA C 105 52.858 52.858 53.518 -0.660 25834 563 1 . 1 1 105 105 LEU CB C 105 43.199 43.199 44.054 -0.855 25834 564 1 . 1 1 105 105 LEU H H 105 8.217 8.217 8.202 0.015 25834 565 1 . 1 1 106 106 GLU N N 106 117.285 117.285 119.379 -2.094 25834 566 1 . 1 1 106 106 GLU HA H 106 4.249 4.249 4.654 -0.405 25834 567 1 . 1 1 106 106 GLU C C 106 176.698 176.698 175.163 1.535 25834 568 1 . 1 1 106 106 GLU CA C 106 56.653 56.653 56.142 0.511 25834 569 1 . 1 1 106 106 GLU CB C 106 31.150 31.150 30.528 0.622 25834 570 1 . 1 1 106 106 GLU H H 106 8.219 8.219 8.470 -0.251 25834 571 1 . 1 1 107 107 HIS N N 107 123.685 123.685 123.281 0.404 25834 572 1 . 1 1 107 107 HIS HA H 107 3.851 3.851 4.838 -0.987 25834 573 1 . 1 1 107 107 HIS CA C 107 58.239 58.239 54.915 3.324 25834 574 1 . 1 1 107 107 HIS CB C 107 31.919 31.919 33.073 -1.154 25834 575 1 . 1 1 107 107 HIS H H 107 7.703 7.703 8.509 -0.806 25834 576 1 . 1 1 108 108 PRO HA H 108 4.140 4.140 4.527 -0.387 25834 577 1 . 1 1 108 108 PRO CA C 108 64.650 64.650 64.092 0.558 25834 578 1 . 1 1 108 108 PRO CB C 108 32.020 32.020 32.423 -0.403 25834 579 1 . 1 1 109 109 SER N N 109 114.134 114.134 112.901 1.233 25834 580 1 . 1 1 109 109 SER HA H 109 4.326 4.326 4.607 -0.281 25834 581 1 . 1 1 109 109 SER C C 109 174.553 174.553 174.820 -0.267 25834 582 1 . 1 1 109 109 SER CA C 109 59.214 59.214 59.103 0.112 25834 583 1 . 1 1 109 109 SER CB C 109 64.953 64.953 64.197 0.756 25834 584 1 . 1 1 109 109 SER H H 109 9.035 9.035 7.977 1.058 25834 585 1 . 1 1 110 110 ILE N N 110 128.498 128.498 124.357 4.141 25834 586 1 . 1 1 110 110 ILE HA H 110 4.219 4.219 4.070 0.149 25834 587 1 . 1 1 110 110 ILE C C 110 175.968 175.968 175.476 0.492 25834 588 1 . 1 1 110 110 ILE CA C 110 59.903 59.903 62.075 -2.171 25834 589 1 . 1 1 110 110 ILE CB C 110 36.738 36.738 37.386 -0.648 25834 590 1 . 1 1 110 110 ILE H H 110 8.103 8.103 8.050 0.053 25834 591 1 . 1 1 111 111 SER N N 111 127.509 127.509 123.285 4.224 25834 592 1 . 1 1 111 111 SER HA H 111 4.207 4.207 4.843 -0.636 25834 593 1 . 1 1 111 111 SER C C 111 174.300 174.300 175.749 -1.449 25834 594 1 . 1 1 111 111 SER CA C 111 60.844 60.844 57.313 3.531 25834 595 1 . 1 1 111 111 SER CB C 111 64.891 64.891 65.252 -0.361 25834 596 1 . 1 1 111 111 SER H H 111 11.497 11.497 8.222 3.275 25834 597 1 . 1 1 112 112 SER N N 112 120.261 120.261 116.430 3.831 25834 598 1 . 1 1 112 112 SER HA H 112 4.208 4.208 4.360 -0.152 25834 599 1 . 1 1 112 112 SER C C 112 174.250 174.250 173.995 0.255 25834 600 1 . 1 1 112 112 SER CA C 112 63.258 63.258 61.295 1.963 25834 601 1 . 1 1 112 112 SER CB C 112 62.194 62.194 63.131 -0.937 25834 602 1 . 1 1 112 112 SER H H 112 9.135 9.135 8.868 0.267 25834 603 1 . 1 1 113 113 VAL N N 113 118.006 118.006 114.585 3.421 25834 604 1 . 1 1 113 113 VAL HA H 113 3.653 3.653 4.476 -0.823 25834 605 1 . 1 1 113 113 VAL C C 113 173.570 173.570 174.805 -1.235 25834 606 1 . 1 1 113 113 VAL CA C 113 64.376 64.376 60.737 3.639 25834 607 1 . 1 1 113 113 VAL CB C 113 32.216 32.216 31.733 0.483 25834 608 1 . 1 1 113 113 VAL H H 113 7.781 7.781 7.600 0.181 25834 609 1 . 1 1 114 114 HIS N N 114 128.080 128.080 125.471 2.608 25834 610 1 . 1 1 114 114 HIS HA H 114 4.194 4.194 4.455 -0.261 25834 611 1 . 1 1 114 114 HIS CA C 114 59.422 59.422 60.363 -0.941 25834 612 1 . 1 1 114 114 HIS CB C 114 36.055 36.055 31.181 4.875 25834 613 1 . 1 1 114 114 HIS H H 114 8.875 8.875 8.418 0.457 25834 614 1 . 1 1 115 115 ALA N N 115 114.264 114.264 115.111 -0.847 25834 615 1 . 1 1 115 115 ALA HA H 115 5.231 5.231 4.878 0.353 25834 616 1 . 1 1 115 115 ALA C C 115 173.729 173.729 174.385 -0.656 25834 617 1 . 1 1 115 115 ALA CA C 115 50.958 50.958 51.504 -0.546 25834 618 1 . 1 1 115 115 ALA CB C 115 24.604 24.604 22.479 2.125 25834 619 1 . 1 1 115 115 ALA H H 115 8.250 8.250 7.640 0.610 25834 620 1 . 1 1 116 116 VAL N N 116 116.683 116.683 119.237 -2.554 25834 621 1 . 1 1 116 116 VAL HA H 116 5.858 5.858 4.877 0.981 25834 622 1 . 1 1 116 116 VAL C C 116 173.135 173.135 173.520 -0.385 25834 623 1 . 1 1 116 116 VAL CA C 116 57.808 57.808 59.729 -1.921 25834 624 1 . 1 1 116 116 VAL CB C 116 36.180 36.180 35.230 0.950 25834 625 1 . 1 1 116 116 VAL H H 116 8.808 8.808 7.749 1.059 25834 626 1 . 1 1 117 117 LEU N N 117 124.933 124.933 126.299 -1.366 25834 627 1 . 1 1 117 117 LEU HA H 117 5.754 5.754 5.343 0.411 25834 628 1 . 1 1 117 117 LEU C C 117 174.233 174.233 175.433 -1.200 25834 629 1 . 1 1 117 117 LEU CA C 117 53.912 53.912 52.980 0.932 25834 630 1 . 1 1 117 117 LEU CB C 117 46.129 46.129 44.085 2.044 25834 631 1 . 1 1 117 117 LEU H H 117 8.799 8.799 8.224 0.575 25834 632 1 . 1 1 118 118 VAL N N 118 123.453 123.453 119.698 3.755 25834 633 1 . 1 1 118 118 VAL HA H 118 5.437 5.437 4.926 0.511 25834 634 1 . 1 1 118 118 VAL C C 118 174.261 174.261 175.481 -1.220 25834 635 1 . 1 1 118 118 VAL CA C 118 59.238 59.238 60.999 -1.761 25834 636 1 . 1 1 118 118 VAL CB C 118 35.069 35.069 35.421 -0.351 25834 637 1 . 1 1 118 118 VAL H H 118 10.009 10.009 8.282 1.727 25834 638 1 . 1 1 119 119 PHE N N 119 132.016 132.016 128.085 3.931 25834 639 1 . 1 1 119 119 PHE HA H 119 3.846 3.846 3.666 0.180 25834 640 1 . 1 1 119 119 PHE C C 119 172.828 172.828 174.641 -1.813 25834 641 1 . 1 1 119 119 PHE CA C 119 60.289 60.289 56.934 3.355 25834 642 1 . 1 1 119 119 PHE CB C 119 37.640 37.640 37.861 -0.221 25834 643 1 . 1 1 119 119 PHE H H 119 9.544 9.544 8.490 1.054 25834 644 1 . 1 1 120 120 HIS N N 120 130.718 130.718 127.793 2.925 25834 645 1 . 1 1 120 120 HIS HA H 120 3.844 3.844 4.917 -1.073 25834 646 1 . 1 1 120 120 HIS CA C 120 55.828 55.828 57.356 -1.528 25834 647 1 . 1 1 120 120 HIS CB C 120 32.276 32.276 30.173 2.103 25834 648 1 . 1 1 120 120 HIS H H 120 8.365 8.365 8.336 0.029 25834 649 1 . 1 1 121 121 GLY N N 121 111.906 111.906 114.549 -2.643 25834 650 1 . 1 1 121 121 GLY C C 121 174.992 174.992 174.416 0.576 25834 651 1 . 1 1 121 121 GLY CA C 121 47.970 47.970 45.753 2.217 25834 652 1 . 1 1 121 121 GLY H H 121 8.150 8.150 8.581 -0.431 25834 653 1 . 1 1 122 122 GLY N N 122 111.156 111.156 108.334 2.822 25834 654 1 . 1 1 122 122 GLY C C 122 175.834 175.834 175.356 0.478 25834 655 1 . 1 1 122 122 GLY CA C 122 46.396 46.396 45.772 0.624 25834 656 1 . 1 1 122 122 GLY H H 122 9.055 9.055 7.846 1.209 25834 657 1 . 1 1 123 123 GLN N N 123 121.769 121.769 118.021 3.748 25834 658 1 . 1 1 123 123 GLN HA H 123 3.934 3.934 4.414 -0.480 25834 659 1 . 1 1 123 123 GLN C C 123 175.649 175.649 176.077 -0.428 25834 660 1 . 1 1 123 123 GLN CA C 123 56.432 56.432 54.951 1.481 25834 661 1 . 1 1 123 123 GLN CB C 123 29.425 29.425 29.367 0.058 25834 662 1 . 1 1 123 123 GLN H H 123 9.270 9.270 7.821 1.449 25834 663 1 . 1 1 124 124 ARG N N 124 115.831 115.831 116.215 -0.384 25834 664 1 . 1 1 124 124 ARG HA H 124 3.466 3.466 4.149 -0.683 25834 665 1 . 1 1 124 124 ARG C C 124 173.830 173.830 174.859 -1.029 25834 666 1 . 1 1 124 124 ARG CA C 124 57.191 57.191 57.478 -0.287 25834 667 1 . 1 1 124 124 ARG CB C 124 26.627 26.627 27.236 -0.609 25834 668 1 . 1 1 124 124 ARG H H 124 8.141 8.141 8.173 -0.032 25834 669 1 . 1 1 125 125 CYS N N 125 111.895 111.895 115.155 -3.260 25834 670 1 . 1 1 125 125 CYS HA H 125 4.490 4.490 4.717 -0.227 25834 671 1 . 1 1 125 125 CYS C C 125 172.037 172.037 173.830 -1.793 25834 672 1 . 1 1 125 125 CYS CA C 125 55.647 55.647 56.882 -1.236 25834 673 1 . 1 1 125 125 CYS CB C 125 30.488 30.488 30.843 -0.354 25834 674 1 . 1 1 125 125 CYS H H 125 6.808 6.808 7.680 -0.872 25834 675 1 . 1 1 126 126 PHE N N 126 119.776 119.776 123.149 -3.373 25834 676 1 . 1 1 126 126 PHE HA H 126 4.805 4.805 4.762 0.043 25834 677 1 . 1 1 126 126 PHE C C 126 175.431 175.431 175.609 -0.178 25834 678 1 . 1 1 126 126 PHE CA C 126 60.725 60.725 59.257 1.468 25834 679 1 . 1 1 126 126 PHE CB C 126 40.512 40.512 39.551 0.961 25834 680 1 . 1 1 126 126 PHE H H 126 9.599 9.599 9.134 0.465 25834 681 1 . 1 1 127 127 VAL N N 127 119.700 119.700 124.632 -4.932 25834 682 1 . 1 1 127 127 VAL HA H 127 4.625 4.625 4.403 0.222 25834 683 1 . 1 1 127 127 VAL C C 127 173.499 173.499 174.693 -1.194 25834 684 1 . 1 1 127 127 VAL CA C 127 60.501 60.501 61.404 -0.903 25834 685 1 . 1 1 127 127 VAL CB C 127 34.354 34.354 32.234 2.120 25834 686 1 . 1 1 127 127 VAL H H 127 9.594 9.594 8.858 0.736 25834 687 1 . 1 1 128 128 LEU N N 128 129.107 129.107 130.556 -1.449 25834 688 1 . 1 1 128 128 LEU HA H 128 5.417 5.417 5.237 0.180 25834 689 1 . 1 1 128 128 LEU C C 128 175.310 175.310 175.410 -0.100 25834 690 1 . 1 1 128 128 LEU CA C 128 52.990 52.990 53.284 -0.294 25834 691 1 . 1 1 128 128 LEU CB C 128 46.535 46.535 44.509 2.026 25834 692 1 . 1 1 128 128 LEU H H 128 9.545 9.545 8.240 1.305 25834 693 1 . 1 1 129 129 MET N N 129 119.581 119.581 125.134 -5.553 25834 694 1 . 1 1 129 129 MET HA H 129 4.792 4.792 5.078 -0.286 25834 695 1 . 1 1 129 129 MET C C 129 174.562 174.562 174.734 -0.172 25834 696 1 . 1 1 129 129 MET CA C 129 54.980 54.980 54.421 0.559 25834 697 1 . 1 1 129 129 MET CB C 129 38.129 38.129 36.443 1.686 25834 698 1 . 1 1 129 129 MET H H 129 8.724 8.724 8.112 0.612 25834 699 1 . 1 1 130 130 ASP N N 130 124.566 124.566 123.354 1.212 25834 700 1 . 1 1 130 130 ASP HA H 130 4.672 4.672 5.053 -0.381 25834 701 1 . 1 1 130 130 ASP C C 130 178.291 178.291 177.496 0.795 25834 702 1 . 1 1 130 130 ASP CA C 130 53.766 53.766 53.263 0.504 25834 703 1 . 1 1 130 130 ASP CB C 130 42.063 42.063 41.878 0.185 25834 704 1 . 1 1 130 130 ASP H H 130 9.500 9.500 8.882 0.618 25834 705 1 . 1 1 131 131 LEU N N 131 129.917 129.917 122.455 7.462 25834 706 1 . 1 1 131 131 LEU HA H 131 4.427 4.427 4.345 0.082 25834 707 1 . 1 1 131 131 LEU C C 131 176.172 176.172 177.373 -1.201 25834 708 1 . 1 1 131 131 LEU CA C 131 54.227 54.227 55.349 -1.122 25834 709 1 . 1 1 131 131 LEU CB C 131 39.713 39.713 41.713 -2.000 25834 710 1 . 1 1 131 131 LEU H H 131 8.182 8.182 8.003 0.179 25834 711 1 . 1 1 132 132 GLY N N 132 107.323 107.323 105.708 1.615 25834 712 1 . 1 1 132 132 GLY C C 132 174.507 174.507 174.246 0.261 25834 713 1 . 1 1 132 132 GLY CA C 132 46.271 46.271 44.541 1.730 25834 714 1 . 1 1 132 132 GLY H H 132 8.233 8.233 8.055 0.178 25834 715 1 . 1 1 133 133 SER N N 133 119.398 119.398 115.169 4.229 25834 716 1 . 1 1 133 133 SER HA H 133 4.091 4.091 4.291 -0.200 25834 717 1 . 1 1 133 133 SER C C 133 175.194 175.194 175.640 -0.446 25834 718 1 . 1 1 133 133 SER CA C 133 59.003 59.003 58.516 0.487 25834 719 1 . 1 1 133 133 SER CB C 133 62.766 62.766 63.665 -0.899 25834 720 1 . 1 1 133 133 SER H H 133 9.111 9.111 8.050 1.061 25834 721 1 . 1 1 134 134 THR N N 134 117.002 117.002 118.426 -1.424 25834 722 1 . 1 1 134 134 THR HA H 134 3.917 3.917 4.253 -0.336 25834 723 1 . 1 1 134 134 THR C C 134 176.542 176.542 175.327 1.215 25834 724 1 . 1 1 134 134 THR CA C 134 66.444 66.444 64.200 2.243 25834 725 1 . 1 1 134 134 THR CB C 134 68.876 68.876 69.024 -0.148 25834 726 1 . 1 1 134 134 THR H H 134 7.136 7.136 8.648 -1.512 25834 727 1 . 1 1 135 135 ASN N N 135 114.018 114.018 119.198 -5.180 25834 728 1 . 1 1 135 135 ASN HA H 135 4.894 4.894 4.701 0.193 25834 729 1 . 1 1 135 135 ASN C C 135 175.875 175.875 174.919 0.956 25834 730 1 . 1 1 135 135 ASN CA C 135 53.679 53.679 54.040 -0.361 25834 731 1 . 1 1 135 135 ASN CB C 135 39.207 39.207 39.473 -0.266 25834 732 1 . 1 1 135 135 ASN H H 135 9.243 9.243 8.053 1.190 25834 733 1 . 1 1 136 136 GLY N N 136 106.575 106.575 106.976 -0.401 25834 734 1 . 1 1 136 136 GLY C C 136 174.404 174.404 173.119 1.285 25834 735 1 . 1 1 136 136 GLY CA C 136 46.012 46.012 44.424 1.588 25834 736 1 . 1 1 136 136 GLY H H 136 7.533 7.533 7.851 -0.318 25834 737 1 . 1 1 137 137 VAL N N 137 123.037 123.037 120.847 2.190 25834 738 1 . 1 1 137 137 VAL HA H 137 4.554 4.554 4.357 0.196 25834 739 1 . 1 1 137 137 VAL C C 137 173.367 173.367 175.011 -1.644 25834 740 1 . 1 1 137 137 VAL CA C 137 61.221 61.221 61.119 0.102 25834 741 1 . 1 1 137 137 VAL CB C 137 36.191 36.191 33.425 2.766 25834 742 1 . 1 1 137 137 VAL H H 137 9.270 9.270 8.344 0.926 25834 743 1 . 1 1 138 138 LYS N N 138 123.932 123.932 123.010 0.922 25834 744 1 . 1 1 138 138 LYS HA H 138 4.908 4.908 4.624 0.284 25834 745 1 . 1 1 138 138 LYS C C 138 174.454 174.454 174.668 -0.214 25834 746 1 . 1 1 138 138 LYS CA C 138 54.520 54.520 55.231 -0.711 25834 747 1 . 1 1 138 138 LYS CB C 138 35.859 35.859 35.000 0.858 25834 748 1 . 1 1 138 138 LYS H H 138 8.779 8.779 8.174 0.605 25834 749 1 . 1 1 139 139 LEU N N 139 124.937 124.937 123.773 1.164 25834 750 1 . 1 1 139 139 LEU HA H 139 5.035 5.035 4.673 0.362 25834 751 1 . 1 1 139 139 LEU C C 139 176.335 176.335 176.154 0.181 25834 752 1 . 1 1 139 139 LEU CA C 139 52.721 52.721 53.982 -1.261 25834 753 1 . 1 1 139 139 LEU CB C 139 45.127 45.127 44.779 0.347 25834 754 1 . 1 1 139 139 LEU H H 139 8.528 8.528 8.712 -0.184 25834 755 1 . 1 1 140 140 ASN N N 140 128.375 128.375 124.197 4.178 25834 756 1 . 1 1 140 140 ASN HA H 140 4.396 4.396 4.598 -0.202 25834 757 1 . 1 1 140 140 ASN C C 140 175.256 175.256 174.840 0.416 25834 758 1 . 1 1 140 140 ASN CA C 140 54.412 54.412 54.521 -0.109 25834 759 1 . 1 1 140 140 ASN CB C 140 36.879 36.879 37.892 -1.013 25834 760 1 . 1 1 140 140 ASN H H 140 10.056 10.056 9.150 0.906 25834 761 1 . 1 1 141 141 GLY N N 141 101.602 101.602 104.013 -2.411 25834 762 1 . 1 1 141 141 GLY C C 141 173.265 173.265 173.427 -0.162 25834 763 1 . 1 1 141 141 GLY CA C 141 44.972 44.972 45.148 -0.176 25834 764 1 . 1 1 141 141 GLY H H 141 8.811 8.811 8.595 0.216 25834 765 1 . 1 1 142 142 ASN N N 142 118.060 118.060 118.421 -0.361 25834 766 1 . 1 1 142 142 ASN HA H 142 5.008 5.008 4.934 0.074 25834 767 1 . 1 1 142 142 ASN C C 142 174.106 174.106 174.038 0.068 25834 768 1 . 1 1 142 142 ASN CA C 142 51.596 51.596 52.291 -0.695 25834 769 1 . 1 1 142 142 ASN CB C 142 41.038 41.038 41.438 -0.400 25834 770 1 . 1 1 142 142 ASN H H 142 7.512 7.512 8.000 -0.488 25834 771 1 . 1 1 143 143 ARG N N 143 125.882 125.882 124.090 1.792 25834 772 1 . 1 1 143 143 ARG HA H 143 4.621 4.621 4.315 0.306 25834 773 1 . 1 1 143 143 ARG C C 143 177.077 177.077 175.628 1.449 25834 774 1 . 1 1 143 143 ARG CA C 143 56.940 56.940 57.247 -0.307 25834 775 1 . 1 1 143 143 ARG CB C 143 29.787 29.787 30.332 -0.544 25834 776 1 . 1 1 143 143 ARG H H 143 8.975 8.975 8.619 0.356 25834 777 1 . 1 1 144 144 ILE N N 144 124.442 124.442 119.810 4.632 25834 778 1 . 1 1 144 144 ILE HA H 144 4.571 4.571 4.550 0.021 25834 779 1 . 1 1 144 144 ILE CA C 144 60.795 60.795 58.817 1.978 25834 780 1 . 1 1 144 144 ILE CB C 144 39.273 39.273 39.976 -0.703 25834 781 1 . 1 1 144 144 ILE H H 144 6.907 6.907 8.010 -1.103 25834 782 1 . 1 1 145 145 GLU N N 145 122.815 122.815 120.859 1.956 25834 783 1 . 1 1 145 145 GLU HA H 145 4.204 4.204 4.267 -0.063 25834 784 1 . 1 1 145 145 GLU C C 145 176.123 176.123 175.695 0.428 25834 785 1 . 1 1 145 145 GLU CA C 145 56.335 56.335 57.234 -0.899 25834 786 1 . 1 1 145 145 GLU CB C 145 30.592 30.592 30.354 0.238 25834 787 1 . 1 1 145 145 GLU H H 145 8.628 8.628 8.515 0.113 25834 788 1 . 1 1 146 146 LYS N N 146 122.367 122.367 116.852 5.515 25834 789 1 . 1 1 146 146 LYS HA H 146 4.116 4.116 4.687 -0.571 25834 790 1 . 1 1 146 146 LYS C C 146 175.811 175.811 176.334 -0.523 25834 791 1 . 1 1 146 146 LYS CA C 146 57.955 57.955 54.480 3.475 25834 792 1 . 1 1 146 146 LYS CB C 146 33.562 33.562 34.107 -0.545 25834 793 1 . 1 1 146 146 LYS H H 146 8.755 8.755 8.054 0.701 25834 794 1 . 1 1 147 147 ARG N N 147 115.303 115.303 118.072 -2.769 25834 795 1 . 1 1 147 147 ARG HA H 147 3.657 3.657 4.041 -0.384 25834 796 1 . 1 1 147 147 ARG C C 147 174.121 174.121 174.903 -0.782 25834 797 1 . 1 1 147 147 ARG CA C 147 58.472 58.472 57.419 1.053 25834 798 1 . 1 1 147 147 ARG CB C 147 27.393 27.393 28.126 -0.733 25834 799 1 . 1 1 147 147 ARG H H 147 9.124 9.124 8.323 0.801 25834 800 1 . 1 1 148 148 ARG N N 148 118.994 118.994 115.887 3.107 25834 801 1 . 1 1 148 148 ARG HA H 148 4.962 4.962 4.739 0.223 25834 802 1 . 1 1 148 148 ARG C C 148 173.769 173.769 173.419 0.350 25834 803 1 . 1 1 148 148 ARG CA C 148 52.486 52.486 52.426 0.060 25834 804 1 . 1 1 148 148 ARG CB C 148 32.396 32.396 32.406 -0.010 25834 805 1 . 1 1 148 148 ARG H H 148 8.133 8.133 7.740 0.393 25834 806 1 . 1 1 149 149 PRO HA H 149 4.638 4.638 4.510 0.128 25834 807 1 . 1 1 149 149 PRO CA C 149 62.640 62.640 63.298 -0.658 25834 808 1 . 1 1 149 149 PRO CB C 149 31.800 31.800 31.605 0.195 25834 809 1 . 1 1 150 150 LEU N N 150 129.239 129.239 125.845 3.394 25834 810 1 . 1 1 150 150 LEU HA H 150 4.976 4.976 4.808 0.168 25834 811 1 . 1 1 150 150 LEU C C 150 173.433 173.433 175.307 -1.874 25834 812 1 . 1 1 150 150 LEU CA C 150 51.355 51.355 51.680 -0.325 25834 813 1 . 1 1 150 150 LEU CB C 150 44.253 44.253 42.204 2.049 25834 814 1 . 1 1 150 150 LEU H H 150 8.850 8.850 8.111 0.739 25834 815 1 . 1 1 151 151 PRO HA H 151 4.331 4.331 4.725 -0.394 25834 816 1 . 1 1 151 151 PRO CA C 151 64.201 64.201 62.302 1.899 25834 817 1 . 1 1 151 151 PRO CB C 151 32.673 32.673 31.896 0.777 25834 818 1 . 1 1 152 152 ALA N N 152 123.538 123.538 127.142 -3.604 25834 819 1 . 1 1 152 152 ALA HA H 152 4.883 4.883 4.803 0.080 25834 820 1 . 1 1 152 152 ALA C C 152 172.551 172.551 175.517 -2.966 25834 821 1 . 1 1 152 152 ALA CA C 152 48.117 48.117 49.228 -1.111 25834 822 1 . 1 1 152 152 ALA CB C 152 18.102 18.102 19.352 -1.251 25834 823 1 . 1 1 152 152 ALA H H 152 8.741 8.741 8.614 0.127 25834 824 1 . 1 1 153 153 PRO HA H 153 4.637 4.637 4.484 0.153 25834 825 1 . 1 1 153 153 PRO CA C 153 62.080 62.080 62.177 -0.097 25834 826 1 . 1 1 153 153 PRO CB C 153 33.330 33.330 32.691 0.639 25834 827 1 . 1 1 154 154 VAL N N 154 121.024 121.024 115.836 5.188 25834 828 1 . 1 1 154 154 VAL HA H 154 3.324 3.324 3.563 -0.239 25834 829 1 . 1 1 154 154 VAL C C 154 176.371 176.371 176.729 -0.358 25834 830 1 . 1 1 154 154 VAL CA C 154 65.636 65.636 63.349 2.288 25834 831 1 . 1 1 154 154 VAL CB C 154 31.513 31.513 31.434 0.079 25834 832 1 . 1 1 154 154 VAL H H 154 8.653 8.653 8.311 0.342 25834 833 1 . 1 1 155 155 GLY N N 155 116.464 116.464 113.743 2.721 25834 834 1 . 1 1 155 155 GLY C C 155 174.707 174.707 174.292 0.415 25834 835 1 . 1 1 155 155 GLY CA C 155 44.309 44.309 45.306 -0.997 25834 836 1 . 1 1 155 155 GLY H H 155 9.242 9.242 8.717 0.525 25834 837 1 . 1 1 156 156 SER N N 156 117.176 117.176 115.712 1.464 25834 838 1 . 1 1 156 156 SER HA H 156 4.684 4.684 4.655 0.029 25834 839 1 . 1 1 156 156 SER C C 156 172.437 172.437 173.178 -0.741 25834 840 1 . 1 1 156 156 SER CA C 156 60.271 60.271 57.293 2.978 25834 841 1 . 1 1 156 156 SER CB C 156 64.119 64.119 65.512 -1.393 25834 842 1 . 1 1 156 156 SER H H 156 8.166 8.166 7.753 0.413 25834 843 1 . 1 1 157 157 SER N N 157 117.025 117.025 114.522 2.503 25834 844 1 . 1 1 157 157 SER HA H 157 5.334 5.334 5.351 -0.017 25834 845 1 . 1 1 157 157 SER C C 157 173.729 173.729 173.056 0.673 25834 846 1 . 1 1 157 157 SER CA C 157 56.737 56.737 57.174 -0.438 25834 847 1 . 1 1 157 157 SER CB C 157 65.445 65.445 66.600 -1.155 25834 848 1 . 1 1 157 157 SER H H 157 8.371 8.371 8.299 0.072 25834 849 1 . 1 1 158 158 ILE N N 158 126.089 126.089 118.674 7.415 25834 850 1 . 1 1 158 158 ILE HA H 158 4.819 4.819 4.436 0.383 25834 851 1 . 1 1 158 158 ILE C C 158 174.471 174.471 174.117 0.354 25834 852 1 . 1 1 158 158 ILE CA C 158 60.049 60.049 60.472 -0.423 25834 853 1 . 1 1 158 158 ILE CB C 158 42.434 42.434 41.964 0.470 25834 854 1 . 1 1 158 158 ILE H H 158 9.601 9.601 8.412 1.189 25834 855 1 . 1 1 159 159 GLN N N 159 123.323 123.323 120.954 2.369 25834 856 1 . 1 1 159 159 GLN HA H 159 4.562 4.562 4.929 -0.367 25834 857 1 . 1 1 159 159 GLN C C 159 174.219 174.219 174.185 0.033 25834 858 1 . 1 1 159 159 GLN CA C 159 55.104 55.104 54.536 0.568 25834 859 1 . 1 1 159 159 GLN CB C 159 34.627 34.627 34.178 0.449 25834 860 1 . 1 1 159 159 GLN H H 159 8.290 8.290 8.380 -0.090 25834 861 1 . 1 1 160 160 PHE N N 160 124.084 124.084 118.900 5.184 25834 862 1 . 1 1 160 160 PHE HA H 160 4.564 4.564 4.853 -0.289 25834 863 1 . 1 1 160 160 PHE C C 160 174.368 174.368 174.076 0.292 25834 864 1 . 1 1 160 160 PHE CA C 160 56.415 56.415 56.652 -0.237 25834 865 1 . 1 1 160 160 PHE CB C 160 40.677 40.677 41.357 -0.680 25834 866 1 . 1 1 160 160 PHE H H 160 9.622 9.622 8.780 0.842 25834 867 1 . 1 1 161 161 GLY N N 161 108.516 108.516 112.449 -3.933 25834 868 1 . 1 1 161 161 GLY C C 161 173.064 173.064 173.234 -0.170 25834 869 1 . 1 1 161 161 GLY CA C 161 46.172 46.172 45.427 0.745 25834 870 1 . 1 1 161 161 GLY H H 161 8.409 8.409 7.913 0.496 25834 871 1 . 1 1 162 162 PHE N N 162 123.240 123.240 121.171 2.069 25834 872 1 . 1 1 162 162 PHE HA H 162 4.941 4.941 4.652 0.289 25834 873 1 . 1 1 162 162 PHE C C 162 175.982 175.982 175.375 0.607 25834 874 1 . 1 1 162 162 PHE CA C 162 54.061 54.061 56.912 -2.850 25834 875 1 . 1 1 162 162 PHE CB C 162 38.091 38.091 39.418 -1.327 25834 876 1 . 1 1 162 162 PHE H H 162 8.848 8.848 7.910 0.938 25834 877 1 . 1 1 163 163 SER N N 163 113.673 113.673 114.951 -1.278 25834 878 1 . 1 1 163 163 SER HA H 163 4.001 4.001 3.699 0.302 25834 879 1 . 1 1 163 163 SER C C 163 176.303 176.303 174.817 1.486 25834 880 1 . 1 1 163 163 SER CA C 163 58.004 58.004 58.278 -0.274 25834 881 1 . 1 1 163 163 SER CB C 163 62.297 62.297 63.505 -1.208 25834 882 1 . 1 1 163 163 SER H H 163 7.071 7.071 6.796 0.274 25834 883 1 . 1 1 164 164 SER N N 164 126.213 126.213 116.576 9.637 25834 884 1 . 1 1 164 164 SER HA H 164 4.188 4.188 4.316 -0.128 25834 885 1 . 1 1 164 164 SER C C 164 174.499 174.499 174.685 -0.186 25834 886 1 . 1 1 164 164 SER CA C 164 59.606 59.606 59.370 0.236 25834 887 1 . 1 1 164 164 SER CB C 164 63.841 63.841 63.559 0.282 25834 888 1 . 1 1 164 164 SER H H 164 9.901 9.901 8.625 1.276 25834 889 1 . 1 1 165 165 ARG N N 165 122.909 122.909 121.115 1.794 25834 890 1 . 1 1 165 165 ARG HA H 165 4.220 4.220 4.335 -0.115 25834 891 1 . 1 1 165 165 ARG C C 165 175.560 175.560 175.105 0.455 25834 892 1 . 1 1 165 165 ARG CA C 165 57.449 57.449 56.218 1.232 25834 893 1 . 1 1 165 165 ARG CB C 165 30.991 30.991 30.592 0.399 25834 894 1 . 1 1 165 165 ARG H H 165 8.096 8.096 7.608 0.487 25834 895 1 . 1 1 166 166 VAL N N 166 123.934 123.934 119.805 4.129 25834 896 1 . 1 1 166 166 VAL HA H 166 4.158 4.158 4.210 -0.052 25834 897 1 . 1 1 166 166 VAL C C 166 174.398 174.398 174.358 0.040 25834 898 1 . 1 1 166 166 VAL CA C 166 62.043 62.043 60.527 1.516 25834 899 1 . 1 1 166 166 VAL CB C 166 33.399 33.399 35.189 -1.790 25834 900 1 . 1 1 166 166 VAL H H 166 8.756 8.756 7.754 1.002 25834 901 1 . 1 1 167 167 TYR N N 167 126.353 126.353 125.371 0.982 25834 902 1 . 1 1 167 167 TYR HA H 167 5.202 5.202 5.067 0.135 25834 903 1 . 1 1 167 167 TYR C C 167 174.823 174.823 175.215 -0.392 25834 904 1 . 1 1 167 167 TYR CA C 167 55.903 55.903 56.438 -0.535 25834 905 1 . 1 1 167 167 TYR CB C 167 39.856 39.856 38.301 1.555 25834 906 1 . 1 1 167 167 TYR H H 167 8.637 8.637 8.218 0.419 25834 907 1 . 1 1 168 168 LYS N N 168 123.312 123.312 125.607 -2.295 25834 908 1 . 1 1 168 168 LYS HA H 168 5.486 5.486 4.832 0.654 25834 909 1 . 1 1 168 168 LYS C C 168 176.634 176.634 175.501 1.133 25834 910 1 . 1 1 168 168 LYS CA C 168 53.912 53.912 54.417 -0.505 25834 911 1 . 1 1 168 168 LYS CB C 168 35.902 35.902 33.717 2.185 25834 912 1 . 1 1 168 168 LYS H H 168 9.005 9.005 8.849 0.156 25834 913 1 . 1 1 169 169 VAL N N 169 125.863 125.863 126.256 -0.393 25834 914 1 . 1 1 169 169 VAL HA H 169 3.818 3.818 4.349 -0.531 25834 915 1 . 1 1 169 169 VAL C C 169 175.804 175.804 175.644 0.160 25834 916 1 . 1 1 169 169 VAL CA C 169 63.855 63.855 62.437 1.418 25834 917 1 . 1 1 169 169 VAL CB C 169 30.937 30.937 32.337 -1.400 25834 918 1 . 1 1 169 169 VAL H H 169 8.305 8.305 8.298 0.007 25834 919 1 . 1 1 170 170 GLN N N 170 129.871 129.871 123.094 6.777 25834 920 1 . 1 1 170 170 GLN HA H 170 4.867 4.867 4.540 0.327 25834 921 1 . 1 1 170 170 GLN C C 170 174.293 174.293 172.954 1.339 25834 922 1 . 1 1 170 170 GLN CA C 170 53.818 53.818 55.084 -1.266 25834 923 1 . 1 1 170 170 GLN CB C 170 32.680 32.680 33.269 -0.589 25834 924 1 . 1 1 170 170 GLN H H 170 9.124 9.124 8.090 1.034 25834 925 1 . 1 1 171 171 LEU N N 171 122.168 122.168 124.239 -2.071 25834 926 1 . 1 1 171 171 LEU HA H 171 4.492 4.492 4.600 -0.108 25834 927 1 . 1 1 171 171 LEU C C 171 177.672 177.672 176.421 1.251 25834 928 1 . 1 1 171 171 LEU CA C 171 55.951 55.951 53.984 1.967 25834 929 1 . 1 1 171 171 LEU CB C 171 44.023 44.023 43.852 0.171 25834 930 1 . 1 1 171 171 LEU H H 171 8.569 8.569 8.336 0.233 25834 931 1 . 1 1 172 172 GLY N N 172 111.174 111.174 113.561 -2.387 25834 932 1 . 1 1 172 172 GLY C C 172 171.895 171.895 173.276 -1.381 25834 933 1 . 1 1 172 172 GLY CA C 172 44.179 44.179 43.945 0.234 25834 934 1 . 1 1 172 172 GLY H H 172 8.588 8.588 8.181 0.407 25834 935 1 . 1 1 175 175 SER N N 175 115.756 115.756 117.698 -1.942 25834 936 1 . 1 1 175 175 SER HA H 175 4.274 4.274 4.508 -0.233 25834 937 1 . 1 1 175 175 SER C C 175 174.314 174.314 174.723 -0.409 25834 938 1 . 1 1 175 175 SER CA C 175 57.998 57.998 57.959 0.039 25834 939 1 . 1 1 175 175 SER CB C 175 63.886 63.886 63.350 0.536 25834 940 1 . 1 1 175 175 SER H H 175 7.661 7.661 8.320 -0.659 25834 941 1 . 1 1 176 176 SER N N 176 117.882 117.882 117.604 0.278 25834 942 1 . 1 1 176 176 SER HA H 176 4.698 4.698 4.497 0.201 25834 943 1 . 1 1 176 176 SER C C 176 173.521 173.521 174.096 -0.575 25834 944 1 . 1 1 176 176 SER CA C 176 58.601 58.601 58.457 0.144 25834 945 1 . 1 1 176 176 SER CB C 176 64.242 64.242 63.730 0.512 25834 946 1 . 1 1 176 176 SER H H 176 8.265 8.265 8.254 0.011 25834 stop_ save_