data_19396 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19396 _Entry.PDB_ID 2MBD 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 19396 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 122.568 122.568 122.117 0.451 19396 2 1 1 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.501 0.145 19396 3 1 1 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.577 -0.173 19396 4 1 1 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.402 0.165 19396 5 1 1 . 1 1 2 2 LEU H H 2 8.622 8.622 8.264 0.358 19396 6 1 1 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.555 -0.055 19396 7 1 1 . 1 1 3 3 PRO C C 3 177.335 177.335 177.444 -0.109 19396 8 1 1 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.681 0.183 19396 9 1 1 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.638 -0.232 19396 10 1 1 . 1 1 4 4 ARG N N 4 124.305 124.305 122.976 1.329 19396 11 1 1 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.945 0.049 19396 12 1 1 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.354 -1.239 19396 13 1 1 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.051 0.247 19396 14 1 1 . 1 1 4 4 ARG H H 4 8.721 8.721 8.813 -0.093 19396 15 1 1 . 1 1 5 5 LYS N N 5 117.116 117.116 118.572 -1.456 19396 16 1 1 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.064 -0.016 19396 17 1 1 . 1 1 5 5 LYS C C 5 178.657 178.657 178.816 -0.159 19396 18 1 1 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.636 -0.473 19396 19 1 1 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.049 0.586 19396 20 1 1 . 1 1 5 5 LYS H H 5 8.686 8.686 8.342 0.344 19396 21 1 1 . 1 1 6 6 ILE N N 6 119.465 119.465 120.480 -1.015 19396 22 1 1 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.814 0.193 19396 23 1 1 . 1 1 6 6 ILE C C 6 180.162 180.162 177.663 2.499 19396 24 1 1 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.525 -0.767 19396 25 1 1 . 1 1 6 6 ILE CB C 6 37.885 37.885 37.871 0.014 19396 26 1 1 . 1 1 6 6 ILE H H 6 7.364 7.364 7.366 -0.002 19396 27 1 1 . 1 1 7 7 LEU N N 7 121.958 121.958 120.465 1.493 19396 28 1 1 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.853 0.185 19396 29 1 1 . 1 1 7 7 LEU C C 7 179.647 179.647 178.952 0.695 19396 30 1 1 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.426 -0.381 19396 31 1 1 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.413 0.839 19396 32 1 1 . 1 1 7 7 LEU H H 7 8.080 8.080 8.365 -0.285 19396 33 1 1 . 1 1 8 8 CYS N N 8 115.638 115.638 117.701 -2.063 19396 34 1 1 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.121 0.427 19396 35 1 1 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.334 10.808 19396 36 1 1 . 1 1 8 8 CYS H H 8 8.730 8.730 8.396 0.334 19396 37 1 1 . 1 1 9 9 ALA N N 9 124.009 124.009 123.453 0.556 19396 38 1 1 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.991 0.193 19396 39 1 1 . 1 1 9 9 ALA C C 9 180.836 180.836 179.432 1.404 19396 40 1 1 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.228 0.249 19396 41 1 1 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.206 -0.035 19396 42 1 1 . 1 1 9 9 ALA H H 9 7.736 7.736 7.527 0.209 19396 43 1 1 . 1 1 10 10 ILE N N 10 119.305 119.305 118.335 0.970 19396 44 1 1 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.711 0.028 19396 45 1 1 . 1 1 10 10 ILE C C 10 177.596 177.596 177.699 -0.103 19396 46 1 1 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.745 -0.211 19396 47 1 1 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.870 0.353 19396 48 1 1 . 1 1 10 10 ILE H H 10 8.101 8.101 7.420 0.681 19396 49 1 1 . 1 1 11 11 ALA N N 11 121.508 121.508 123.738 -2.230 19396 50 1 1 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.096 -0.154 19396 51 1 1 . 1 1 11 11 ALA C C 11 179.663 179.663 179.532 0.131 19396 52 1 1 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.325 -0.035 19396 53 1 1 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.442 -0.008 19396 54 1 1 . 1 1 11 11 ALA H H 11 7.999 7.999 8.482 -0.483 19396 55 1 1 . 1 1 12 12 LYS N N 12 115.687 115.687 116.688 -1.001 19396 56 1 1 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.081 -0.022 19396 57 1 1 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.833 0.354 19396 58 1 1 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.442 0.158 19396 59 1 1 . 1 1 12 12 LYS H H 12 8.058 8.058 8.033 0.025 19396 60 1 1 . 1 1 13 13 LYS N N 13 120.587 120.587 120.325 0.262 19396 61 1 1 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.141 0.002 19396 62 1 1 . 1 1 13 13 LYS C C 13 178.141 178.141 178.434 -0.293 19396 63 1 1 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.720 -0.035 19396 64 1 1 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.590 0.010 19396 65 1 1 . 1 1 13 13 LYS H H 13 7.826 7.826 7.543 0.283 19396 66 1 1 . 1 1 14 14 LYS N N 14 116.430 116.430 116.455 -0.025 19396 67 1 1 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.288 0.000 19396 68 1 1 . 1 1 14 14 LYS CA C 14 56.651 56.651 56.108 0.543 19396 69 1 1 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.990 -0.011 19396 70 1 1 . 1 1 14 14 LYS H H 14 8.025 8.025 8.129 -0.104 19396 71 1 1 . 1 1 15 15 GLY N N 15 108.661 108.661 107.371 1.290 19396 72 1 1 . 1 1 15 15 GLY C C 15 174.966 174.966 174.004 0.962 19396 73 1 1 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.211 1.198 19396 74 1 1 . 1 1 15 15 GLY H H 15 7.885 7.885 7.954 -0.069 19396 75 1 1 . 1 1 16 16 LYS N N 16 117.160 117.160 120.921 -3.761 19396 76 1 1 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.661 -0.254 19396 77 1 1 . 1 1 16 16 LYS C C 16 175.840 175.840 174.505 1.335 19396 78 1 1 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.358 -0.614 19396 79 1 1 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.519 -0.622 19396 80 1 1 . 1 1 16 16 LYS H H 16 8.299 8.299 8.170 0.129 19396 81 1 1 . 1 1 17 17 CYS N N 17 123.378 123.378 123.334 0.044 19396 82 1 1 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.753 -0.422 19396 83 1 1 . 1 1 17 17 CYS C C 17 172.022 172.022 173.259 -1.237 19396 84 1 1 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.676 -1.881 19396 85 1 1 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.259 12.671 19396 86 1 1 . 1 1 17 17 CYS H H 17 8.691 8.691 8.737 -0.046 19396 87 1 1 . 1 1 18 18 LYS N N 18 121.370 121.370 124.601 -3.231 19396 88 1 1 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.541 -0.003 19396 89 1 1 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.663 0.177 19396 90 1 1 . 1 1 18 18 LYS H H 18 7.708 7.708 8.279 -0.571 19396 91 1 1 . 1 1 19 19 GLY N N 19 111.141 111.141 109.543 1.598 19396 92 1 1 . 1 1 19 19 GLY C C 19 174.356 174.356 173.817 0.539 19396 93 1 1 . 1 1 19 19 GLY CA C 19 45.353 45.353 44.760 0.593 19396 94 1 1 . 1 1 19 19 GLY H H 19 9.036 9.036 8.499 0.537 19396 95 1 1 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.441 -0.070 19396 96 1 1 . 1 1 20 20 PRO C C 20 178.505 178.505 178.342 0.163 19396 97 1 1 . 1 1 20 20 PRO CA C 20 64.938 64.938 63.190 1.748 19396 98 1 1 . 1 1 20 20 PRO CB C 20 32.256 32.256 32.361 -0.105 19396 99 1 1 . 1 1 21 21 LEU N N 21 116.727 116.727 122.232 -5.505 19396 100 1 1 . 1 1 21 21 LEU HA H 21 4.154 4.154 3.951 0.203 19396 101 1 1 . 1 1 21 21 LEU CA C 21 56.895 56.895 58.035 -1.140 19396 102 1 1 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.756 0.216 19396 103 1 1 . 1 1 21 21 LEU H H 21 7.625 7.625 8.092 -0.467 19396 104 1 1 . 1 1 22 22 LYS N N 22 118.668 118.668 118.748 -0.080 19396 105 1 1 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.046 0.017 19396 106 1 1 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.450 0.269 19396 107 1 1 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.325 -0.158 19396 108 1 1 . 1 1 22 22 LYS H H 22 7.583 7.583 8.111 -0.528 19396 109 1 1 . 1 1 23 23 LEU N N 23 116.195 116.195 120.835 -4.640 19396 110 1 1 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.130 0.140 19396 111 1 1 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.848 -1.028 19396 112 1 1 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.372 0.572 19396 113 1 1 . 1 1 23 23 LEU H H 23 7.330 7.330 7.653 -0.323 19396 114 1 1 . 1 1 24 24 VAL N N 24 115.225 115.225 119.982 -4.757 19396 115 1 1 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.776 0.206 19396 116 1 1 . 1 1 24 24 VAL CA C 24 64.319 64.319 66.053 -1.734 19396 117 1 1 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.009 1.249 19396 118 1 1 . 1 1 24 24 VAL H H 24 7.326 7.326 8.273 -0.947 19396 119 1 1 . 1 1 25 25 CYS N N 25 115.376 115.376 115.829 -0.453 19396 120 1 1 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.586 -0.525 19396 121 1 1 . 1 1 25 25 CYS C C 25 174.297 174.297 174.092 0.205 19396 122 1 1 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.528 10.705 19396 123 1 1 . 1 1 25 25 CYS H H 25 8.258 8.258 8.162 0.096 19396 124 1 1 . 1 1 26 26 LYS N N 26 119.613 119.613 118.696 0.917 19396 125 1 1 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.046 0.127 19396 126 1 1 . 1 1 26 26 LYS C C 26 175.125 175.125 175.606 -0.481 19396 127 1 1 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.959 -0.167 19396 128 1 1 . 1 1 26 26 LYS H H 26 7.978 7.978 7.881 0.097 19396 129 1 2 . 1 1 2 2 LEU N N 2 122.568 122.568 123.362 -0.794 19396 130 1 2 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.485 0.161 19396 131 1 2 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.624 -0.220 19396 132 1 2 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.447 0.120 19396 133 1 2 . 1 1 2 2 LEU H H 2 8.622 8.622 8.259 0.363 19396 134 1 2 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.621 -0.121 19396 135 1 2 . 1 1 3 3 PRO C C 3 177.335 177.335 177.330 0.005 19396 136 1 2 . 1 1 3 3 PRO CA C 3 62.864 62.864 61.996 0.868 19396 137 1 2 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.882 -0.476 19396 138 1 2 . 1 1 4 4 ARG N N 4 124.305 124.305 122.010 2.295 19396 139 1 2 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.939 0.055 19396 140 1 2 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.542 -0.427 19396 141 1 2 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.670 0.628 19396 142 1 2 . 1 1 4 4 ARG H H 4 8.721 8.721 8.801 -0.080 19396 143 1 2 . 1 1 5 5 LYS N N 5 117.116 117.116 118.168 -1.052 19396 144 1 2 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.157 -0.109 19396 145 1 2 . 1 1 5 5 LYS C C 5 178.657 178.657 177.537 1.120 19396 146 1 2 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.538 0.625 19396 147 1 2 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.768 0.867 19396 148 1 2 . 1 1 5 5 LYS H H 5 8.686 8.686 8.349 0.337 19396 149 1 2 . 1 1 6 6 ILE N N 6 119.465 119.465 118.920 0.545 19396 150 1 2 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.012 -0.005 19396 151 1 2 . 1 1 6 6 ILE C C 6 180.162 180.162 178.071 2.091 19396 152 1 2 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.332 -0.574 19396 153 1 2 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.015 -1.130 19396 154 1 2 . 1 1 6 6 ILE H H 6 7.364 7.364 7.576 -0.212 19396 155 1 2 . 1 1 7 7 LEU N N 7 121.958 121.958 121.625 0.333 19396 156 1 2 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.876 0.162 19396 157 1 2 . 1 1 7 7 LEU C C 7 179.647 179.647 178.429 1.218 19396 158 1 2 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.947 0.098 19396 159 1 2 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.253 0.999 19396 160 1 2 . 1 1 7 7 LEU H H 7 8.080 8.080 8.391 -0.311 19396 161 1 2 . 1 1 8 8 CYS N N 8 115.638 115.638 118.808 -3.170 19396 162 1 2 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.017 0.531 19396 163 1 2 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.461 10.681 19396 164 1 2 . 1 1 8 8 CYS H H 8 8.730 8.730 8.119 0.611 19396 165 1 2 . 1 1 9 9 ALA N N 9 124.009 124.009 123.181 0.828 19396 166 1 2 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.997 0.187 19396 167 1 2 . 1 1 9 9 ALA C C 9 180.836 180.836 179.541 1.295 19396 168 1 2 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.231 0.246 19396 169 1 2 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.394 -0.223 19396 170 1 2 . 1 1 9 9 ALA H H 9 7.736 7.736 7.558 0.178 19396 171 1 2 . 1 1 10 10 ILE N N 10 119.305 119.305 118.498 0.807 19396 172 1 2 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.692 0.047 19396 173 1 2 . 1 1 10 10 ILE C C 10 177.596 177.596 177.773 -0.177 19396 174 1 2 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.772 -0.238 19396 175 1 2 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.837 0.386 19396 176 1 2 . 1 1 10 10 ILE H H 10 8.101 8.101 7.356 0.745 19396 177 1 2 . 1 1 11 11 ALA N N 11 121.508 121.508 123.526 -2.018 19396 178 1 2 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.130 -0.188 19396 179 1 2 . 1 1 11 11 ALA C C 11 179.663 179.663 179.474 0.189 19396 180 1 2 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.319 -0.029 19396 181 1 2 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.486 -0.052 19396 182 1 2 . 1 1 11 11 ALA H H 11 7.999 7.999 8.646 -0.647 19396 183 1 2 . 1 1 12 12 LYS N N 12 115.687 115.687 116.612 -0.925 19396 184 1 2 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.104 -0.045 19396 185 1 2 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.705 0.482 19396 186 1 2 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.421 0.179 19396 187 1 2 . 1 1 12 12 LYS H H 12 8.058 8.058 7.564 0.494 19396 188 1 2 . 1 1 13 13 LYS N N 13 120.587 120.587 119.529 1.058 19396 189 1 2 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.155 -0.012 19396 190 1 2 . 1 1 13 13 LYS C C 13 178.141 178.141 178.464 -0.323 19396 191 1 2 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.565 0.120 19396 192 1 2 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.672 -0.072 19396 193 1 2 . 1 1 13 13 LYS H H 13 7.826 7.826 7.564 0.262 19396 194 1 2 . 1 1 14 14 LYS N N 14 116.430 116.430 116.617 -0.187 19396 195 1 2 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.331 -0.043 19396 196 1 2 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.739 0.912 19396 197 1 2 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.833 0.146 19396 198 1 2 . 1 1 14 14 LYS H H 14 8.025 8.025 8.199 -0.174 19396 199 1 2 . 1 1 15 15 GLY N N 15 108.661 108.661 107.648 1.013 19396 200 1 2 . 1 1 15 15 GLY C C 15 174.966 174.966 173.962 1.004 19396 201 1 2 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.276 1.133 19396 202 1 2 . 1 1 15 15 GLY H H 15 7.885 7.885 7.970 -0.085 19396 203 1 2 . 1 1 16 16 LYS N N 16 117.160 117.160 120.851 -3.691 19396 204 1 2 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.674 -0.267 19396 205 1 2 . 1 1 16 16 LYS C C 16 175.840 175.840 174.335 1.505 19396 206 1 2 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.505 -0.761 19396 207 1 2 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.940 -1.043 19396 208 1 2 . 1 1 16 16 LYS H H 16 8.299 8.299 8.023 0.276 19396 209 1 2 . 1 1 17 17 CYS N N 17 123.378 123.378 123.898 -0.520 19396 210 1 2 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.738 -0.407 19396 211 1 2 . 1 1 17 17 CYS C C 17 172.022 172.022 172.950 -0.928 19396 212 1 2 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.771 -1.976 19396 213 1 2 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.402 11.528 19396 214 1 2 . 1 1 17 17 CYS H H 17 8.691 8.691 8.689 0.002 19396 215 1 2 . 1 1 18 18 LYS N N 18 121.370 121.370 125.476 -4.106 19396 216 1 2 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.472 0.066 19396 217 1 2 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.183 -0.343 19396 218 1 2 . 1 1 18 18 LYS H H 18 7.708 7.708 8.028 -0.320 19396 219 1 2 . 1 1 19 19 GLY N N 19 111.141 111.141 109.111 2.030 19396 220 1 2 . 1 1 19 19 GLY C C 19 174.356 174.356 173.743 0.613 19396 221 1 2 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.117 -0.764 19396 222 1 2 . 1 1 19 19 GLY H H 19 9.036 9.036 8.441 0.595 19396 223 1 2 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.342 0.029 19396 224 1 2 . 1 1 20 20 PRO C C 20 178.505 178.505 178.139 0.366 19396 225 1 2 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.918 0.020 19396 226 1 2 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.823 0.433 19396 227 1 2 . 1 1 21 21 LEU N N 21 116.727 116.727 120.246 -3.519 19396 228 1 2 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.069 0.085 19396 229 1 2 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.788 -0.893 19396 230 1 2 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.705 0.267 19396 231 1 2 . 1 1 21 21 LEU H H 21 7.625 7.625 7.945 -0.320 19396 232 1 2 . 1 1 22 22 LYS N N 22 118.668 118.668 119.006 -0.338 19396 233 1 2 . 1 1 22 22 LYS HA H 22 4.063 4.063 3.996 0.067 19396 234 1 2 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.497 0.222 19396 235 1 2 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.113 0.054 19396 236 1 2 . 1 1 22 22 LYS H H 22 7.583 7.583 7.450 0.133 19396 237 1 2 . 1 1 23 23 LEU N N 23 116.195 116.195 120.145 -3.950 19396 238 1 2 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.145 0.125 19396 239 1 2 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.656 -0.836 19396 240 1 2 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.811 0.133 19396 241 1 2 . 1 1 23 23 LEU H H 23 7.330 7.330 7.495 -0.165 19396 242 1 2 . 1 1 24 24 VAL N N 24 115.225 115.225 119.327 -4.102 19396 243 1 2 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.765 0.217 19396 244 1 2 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.674 -1.355 19396 245 1 2 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.039 1.219 19396 246 1 2 . 1 1 24 24 VAL H H 24 7.326 7.326 8.438 -1.112 19396 247 1 2 . 1 1 25 25 CYS N N 25 115.376 115.376 118.167 -2.791 19396 248 1 2 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.486 -0.425 19396 249 1 2 . 1 1 25 25 CYS C C 25 174.297 174.297 174.296 0.001 19396 250 1 2 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.472 10.761 19396 251 1 2 . 1 1 25 25 CYS H H 25 8.258 8.258 8.431 -0.173 19396 252 1 2 . 1 1 26 26 LYS N N 26 119.613 119.613 120.688 -1.075 19396 253 1 2 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.055 0.118 19396 254 1 2 . 1 1 26 26 LYS C C 26 175.125 175.125 175.201 -0.076 19396 255 1 2 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.030 -0.238 19396 256 1 2 . 1 1 26 26 LYS H H 26 7.978 7.978 7.900 0.078 19396 257 1 3 . 1 1 2 2 LEU N N 2 122.568 122.568 122.928 -0.360 19396 258 1 3 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.654 -0.008 19396 259 1 3 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.517 -0.113 19396 260 1 3 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.263 -1.696 19396 261 1 3 . 1 1 2 2 LEU H H 2 8.622 8.622 8.247 0.375 19396 262 1 3 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.622 -0.122 19396 263 1 3 . 1 1 3 3 PRO C C 3 177.335 177.335 177.402 -0.067 19396 264 1 3 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.217 0.647 19396 265 1 3 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.957 -0.551 19396 266 1 3 . 1 1 4 4 ARG N N 4 124.305 124.305 122.178 2.127 19396 267 1 3 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.928 0.066 19396 268 1 3 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.260 -1.145 19396 269 1 3 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.984 0.314 19396 270 1 3 . 1 1 4 4 ARG H H 4 8.721 8.721 8.807 -0.086 19396 271 1 3 . 1 1 5 5 LYS N N 5 117.116 117.116 118.902 -1.786 19396 272 1 3 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.151 -0.103 19396 273 1 3 . 1 1 5 5 LYS C C 5 178.657 178.657 177.250 1.407 19396 274 1 3 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.698 0.465 19396 275 1 3 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.838 0.797 19396 276 1 3 . 1 1 5 5 LYS H H 5 8.686 8.686 8.436 0.250 19396 277 1 3 . 1 1 6 6 ILE N N 6 119.465 119.465 118.490 0.975 19396 278 1 3 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.078 -0.071 19396 279 1 3 . 1 1 6 6 ILE C C 6 180.162 180.162 177.302 2.860 19396 280 1 3 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.796 -0.038 19396 281 1 3 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.214 -1.329 19396 282 1 3 . 1 1 6 6 ILE H H 6 7.364 7.364 7.665 -0.301 19396 283 1 3 . 1 1 7 7 LEU N N 7 121.958 121.958 121.995 -0.037 19396 284 1 3 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.038 0.000 19396 285 1 3 . 1 1 7 7 LEU C C 7 179.647 179.647 178.379 1.268 19396 286 1 3 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.494 0.551 19396 287 1 3 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.423 0.829 19396 288 1 3 . 1 1 7 7 LEU H H 7 8.080 8.080 8.419 -0.339 19396 289 1 3 . 1 1 8 8 CYS N N 8 115.638 115.638 119.120 -3.482 19396 290 1 3 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.994 0.554 19396 291 1 3 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.324 10.818 19396 292 1 3 . 1 1 8 8 CYS H H 8 8.730 8.730 8.221 0.509 19396 293 1 3 . 1 1 9 9 ALA N N 9 124.009 124.009 123.338 0.671 19396 294 1 3 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.009 0.175 19396 295 1 3 . 1 1 9 9 ALA C C 9 180.836 180.836 179.519 1.317 19396 296 1 3 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.295 0.182 19396 297 1 3 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.395 -0.224 19396 298 1 3 . 1 1 9 9 ALA H H 9 7.736 7.736 7.762 -0.026 19396 299 1 3 . 1 1 10 10 ILE N N 10 119.305 119.305 119.103 0.202 19396 300 1 3 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.668 0.071 19396 301 1 3 . 1 1 10 10 ILE C C 10 177.596 177.596 178.099 -0.503 19396 302 1 3 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.178 1.356 19396 303 1 3 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.381 1.842 19396 304 1 3 . 1 1 10 10 ILE H H 10 8.101 8.101 7.674 0.427 19396 305 1 3 . 1 1 11 11 ALA N N 11 121.508 121.508 122.806 -1.298 19396 306 1 3 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.064 -0.122 19396 307 1 3 . 1 1 11 11 ALA C C 11 179.663 179.663 179.622 0.041 19396 308 1 3 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.188 0.102 19396 309 1 3 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.301 0.133 19396 310 1 3 . 1 1 11 11 ALA H H 11 7.999 7.999 8.577 -0.578 19396 311 1 3 . 1 1 12 12 LYS N N 12 115.687 115.687 118.115 -2.428 19396 312 1 3 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.052 0.007 19396 313 1 3 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.816 0.371 19396 314 1 3 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.459 0.141 19396 315 1 3 . 1 1 12 12 LYS H H 12 8.058 8.058 7.897 0.161 19396 316 1 3 . 1 1 13 13 LYS N N 13 120.587 120.587 118.900 1.687 19396 317 1 3 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.154 -0.011 19396 318 1 3 . 1 1 13 13 LYS C C 13 178.141 178.141 178.994 -0.853 19396 319 1 3 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.399 0.286 19396 320 1 3 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.418 0.182 19396 321 1 3 . 1 1 13 13 LYS H H 13 7.826 7.826 7.995 -0.169 19396 322 1 3 . 1 1 14 14 LYS N N 14 116.430 116.430 116.965 -0.535 19396 323 1 3 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.346 -0.058 19396 324 1 3 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.705 0.946 19396 325 1 3 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.818 0.161 19396 326 1 3 . 1 1 14 14 LYS H H 14 8.025 8.025 8.074 -0.049 19396 327 1 3 . 1 1 15 15 GLY N N 15 108.661 108.661 107.189 1.472 19396 328 1 3 . 1 1 15 15 GLY C C 15 174.966 174.966 174.540 0.426 19396 329 1 3 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.597 0.812 19396 330 1 3 . 1 1 15 15 GLY H H 15 7.885 7.885 7.800 0.085 19396 331 1 3 . 1 1 16 16 LYS N N 16 117.160 117.160 121.432 -4.272 19396 332 1 3 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.637 -0.230 19396 333 1 3 . 1 1 16 16 LYS C C 16 175.840 175.840 174.701 1.139 19396 334 1 3 . 1 1 16 16 LYS CA C 16 54.744 54.744 54.652 0.092 19396 335 1 3 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.156 0.742 19396 336 1 3 . 1 1 16 16 LYS H H 16 8.299 8.299 8.005 0.294 19396 337 1 3 . 1 1 17 17 CYS N N 17 123.378 123.378 121.381 1.997 19396 338 1 3 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.634 -0.303 19396 339 1 3 . 1 1 17 17 CYS C C 17 172.022 172.022 172.963 -0.941 19396 340 1 3 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.826 -2.031 19396 341 1 3 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.458 12.472 19396 342 1 3 . 1 1 17 17 CYS H H 17 8.691 8.691 8.220 0.471 19396 343 1 3 . 1 1 18 18 LYS N N 18 121.370 121.370 126.303 -4.933 19396 344 1 3 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.466 0.072 19396 345 1 3 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.976 -0.136 19396 346 1 3 . 1 1 18 18 LYS H H 18 7.708 7.708 8.339 -0.631 19396 347 1 3 . 1 1 19 19 GLY N N 19 111.141 111.141 110.262 0.879 19396 348 1 3 . 1 1 19 19 GLY C C 19 174.356 174.356 173.385 0.971 19396 349 1 3 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.427 -1.074 19396 350 1 3 . 1 1 19 19 GLY H H 19 9.036 9.036 8.488 0.548 19396 351 1 3 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.262 0.109 19396 352 1 3 . 1 1 20 20 PRO C C 20 178.505 178.505 178.197 0.308 19396 353 1 3 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.593 -0.655 19396 354 1 3 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.729 0.527 19396 355 1 3 . 1 1 21 21 LEU N N 21 116.727 116.727 117.930 -1.203 19396 356 1 3 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.103 0.051 19396 357 1 3 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.559 -0.664 19396 358 1 3 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.341 0.631 19396 359 1 3 . 1 1 21 21 LEU H H 21 7.625 7.625 7.911 -0.286 19396 360 1 3 . 1 1 22 22 LYS N N 22 118.668 118.668 119.816 -1.148 19396 361 1 3 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.082 -0.019 19396 362 1 3 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.227 0.492 19396 363 1 3 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.315 -0.148 19396 364 1 3 . 1 1 22 22 LYS H H 22 7.583 7.583 7.422 0.161 19396 365 1 3 . 1 1 23 23 LEU N N 23 116.195 116.195 120.388 -4.193 19396 366 1 3 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.030 0.240 19396 367 1 3 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.819 -0.999 19396 368 1 3 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.190 -0.246 19396 369 1 3 . 1 1 23 23 LEU H H 23 7.330 7.330 7.917 -0.587 19396 370 1 3 . 1 1 24 24 VAL N N 24 115.225 115.225 117.787 -2.562 19396 371 1 3 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.803 0.179 19396 372 1 3 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.111 -0.792 19396 373 1 3 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.040 1.218 19396 374 1 3 . 1 1 24 24 VAL H H 24 7.326 7.326 8.178 -0.852 19396 375 1 3 . 1 1 25 25 CYS N N 25 115.376 115.376 116.648 -1.272 19396 376 1 3 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.655 -0.594 19396 377 1 3 . 1 1 25 25 CYS C C 25 174.297 174.297 173.433 0.864 19396 378 1 3 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.180 11.053 19396 379 1 3 . 1 1 25 25 CYS H H 25 8.258 8.258 8.371 -0.113 19396 380 1 3 . 1 1 26 26 LYS N N 26 119.613 119.613 116.536 3.077 19396 381 1 3 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.996 0.177 19396 382 1 3 . 1 1 26 26 LYS C C 26 175.125 175.125 175.656 -0.531 19396 383 1 3 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.789 0.003 19396 384 1 3 . 1 1 26 26 LYS H H 26 7.978 7.978 7.818 0.160 19396 385 1 4 . 1 1 2 2 LEU N N 2 122.568 122.568 122.384 0.184 19396 386 1 4 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.484 0.162 19396 387 1 4 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.620 -0.216 19396 388 1 4 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.361 0.207 19396 389 1 4 . 1 1 2 2 LEU H H 2 8.622 8.622 8.246 0.376 19396 390 1 4 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.566 -0.066 19396 391 1 4 . 1 1 3 3 PRO C C 3 177.335 177.335 177.542 -0.207 19396 392 1 4 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.648 0.216 19396 393 1 4 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.687 -0.281 19396 394 1 4 . 1 1 4 4 ARG N N 4 124.305 124.305 123.063 1.242 19396 395 1 4 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.938 0.056 19396 396 1 4 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.400 -1.284 19396 397 1 4 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.015 0.283 19396 398 1 4 . 1 1 4 4 ARG H H 4 8.721 8.721 8.786 -0.065 19396 399 1 4 . 1 1 5 5 LYS N N 5 117.116 117.116 118.540 -1.424 19396 400 1 4 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.133 -0.085 19396 401 1 4 . 1 1 5 5 LYS C C 5 178.657 178.657 178.555 0.102 19396 402 1 4 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.891 0.272 19396 403 1 4 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.648 0.987 19396 404 1 4 . 1 1 5 5 LYS H H 5 8.686 8.686 8.386 0.300 19396 405 1 4 . 1 1 6 6 ILE N N 6 119.465 119.465 121.561 -2.096 19396 406 1 4 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.826 0.181 19396 407 1 4 . 1 1 6 6 ILE C C 6 180.162 180.162 177.645 2.517 19396 408 1 4 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.300 -0.541 19396 409 1 4 . 1 1 6 6 ILE CB C 6 37.885 37.885 37.946 -0.061 19396 410 1 4 . 1 1 6 6 ILE H H 6 7.364 7.364 7.290 0.074 19396 411 1 4 . 1 1 7 7 LEU N N 7 121.958 121.958 120.459 1.499 19396 412 1 4 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.877 0.161 19396 413 1 4 . 1 1 7 7 LEU C C 7 179.647 179.647 178.997 0.650 19396 414 1 4 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.140 -0.095 19396 415 1 4 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.336 0.916 19396 416 1 4 . 1 1 7 7 LEU H H 7 8.080 8.080 8.323 -0.243 19396 417 1 4 . 1 1 8 8 CYS N N 8 115.638 115.638 118.753 -3.115 19396 418 1 4 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.019 0.529 19396 419 1 4 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.610 10.532 19396 420 1 4 . 1 1 8 8 CYS H H 8 8.730 8.730 8.525 0.205 19396 421 1 4 . 1 1 9 9 ALA N N 9 124.009 124.009 123.228 0.781 19396 422 1 4 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.024 0.160 19396 423 1 4 . 1 1 9 9 ALA C C 9 180.836 180.836 179.553 1.283 19396 424 1 4 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.163 0.314 19396 425 1 4 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.420 -0.249 19396 426 1 4 . 1 1 9 9 ALA H H 9 7.736 7.736 7.619 0.117 19396 427 1 4 . 1 1 10 10 ILE N N 10 119.305 119.305 118.914 0.391 19396 428 1 4 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.679 0.060 19396 429 1 4 . 1 1 10 10 ILE C C 10 177.596 177.596 178.095 -0.499 19396 430 1 4 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.145 1.389 19396 431 1 4 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.449 1.774 19396 432 1 4 . 1 1 10 10 ILE H H 10 8.101 8.101 7.869 0.232 19396 433 1 4 . 1 1 11 11 ALA N N 11 121.508 121.508 122.652 -1.144 19396 434 1 4 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.093 -0.151 19396 435 1 4 . 1 1 11 11 ALA C C 11 179.663 179.663 179.281 0.382 19396 436 1 4 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.389 -0.099 19396 437 1 4 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.700 -0.266 19396 438 1 4 . 1 1 11 11 ALA H H 11 7.999 7.999 8.552 -0.553 19396 439 1 4 . 1 1 12 12 LYS N N 12 115.687 115.687 116.705 -1.018 19396 440 1 4 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.161 -0.102 19396 441 1 4 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.429 0.758 19396 442 1 4 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.291 0.308 19396 443 1 4 . 1 1 12 12 LYS H H 12 8.058 8.058 7.606 0.452 19396 444 1 4 . 1 1 13 13 LYS N N 13 120.587 120.587 120.475 0.112 19396 445 1 4 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.166 -0.023 19396 446 1 4 . 1 1 13 13 LYS C C 13 178.141 178.141 178.386 -0.245 19396 447 1 4 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.690 -0.005 19396 448 1 4 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.692 -0.092 19396 449 1 4 . 1 1 13 13 LYS H H 13 7.826 7.826 7.743 0.083 19396 450 1 4 . 1 1 14 14 LYS N N 14 116.430 116.430 116.540 -0.110 19396 451 1 4 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.293 -0.005 19396 452 1 4 . 1 1 14 14 LYS CA C 14 56.651 56.651 56.031 0.620 19396 453 1 4 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.933 0.046 19396 454 1 4 . 1 1 14 14 LYS H H 14 8.025 8.025 7.994 0.031 19396 455 1 4 . 1 1 15 15 GLY N N 15 108.661 108.661 107.135 1.526 19396 456 1 4 . 1 1 15 15 GLY C C 15 174.966 174.966 174.462 0.504 19396 457 1 4 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.468 0.942 19396 458 1 4 . 1 1 15 15 GLY H H 15 7.885 7.885 7.811 0.074 19396 459 1 4 . 1 1 16 16 LYS N N 16 117.160 117.160 121.564 -4.404 19396 460 1 4 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.657 -0.250 19396 461 1 4 . 1 1 16 16 LYS C C 16 175.840 175.840 174.570 1.270 19396 462 1 4 . 1 1 16 16 LYS CA C 16 54.744 54.744 54.717 0.027 19396 463 1 4 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.225 0.672 19396 464 1 4 . 1 1 16 16 LYS H H 16 8.299 8.299 8.135 0.164 19396 465 1 4 . 1 1 17 17 CYS N N 17 123.378 123.378 122.256 1.122 19396 466 1 4 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.748 -0.417 19396 467 1 4 . 1 1 17 17 CYS C C 17 172.022 172.022 172.914 -0.892 19396 468 1 4 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.381 -1.586 19396 469 1 4 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.064 11.866 19396 470 1 4 . 1 1 17 17 CYS H H 17 8.691 8.691 8.339 0.352 19396 471 1 4 . 1 1 18 18 LYS N N 18 121.370 121.370 125.518 -4.148 19396 472 1 4 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.430 0.108 19396 473 1 4 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.143 -0.303 19396 474 1 4 . 1 1 18 18 LYS H H 18 7.708 7.708 8.209 -0.501 19396 475 1 4 . 1 1 19 19 GLY N N 19 111.141 111.141 110.700 0.441 19396 476 1 4 . 1 1 19 19 GLY C C 19 174.356 174.356 173.717 0.639 19396 477 1 4 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.844 -1.491 19396 478 1 4 . 1 1 19 19 GLY H H 19 9.036 9.036 8.599 0.437 19396 479 1 4 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.322 0.049 19396 480 1 4 . 1 1 20 20 PRO C C 20 178.505 178.505 178.348 0.157 19396 481 1 4 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.448 -0.510 19396 482 1 4 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.684 0.572 19396 483 1 4 . 1 1 21 21 LEU N N 21 116.727 116.727 119.464 -2.737 19396 484 1 4 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.120 0.034 19396 485 1 4 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.233 -0.338 19396 486 1 4 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.286 0.686 19396 487 1 4 . 1 1 21 21 LEU H H 21 7.625 7.625 7.963 -0.338 19396 488 1 4 . 1 1 22 22 LYS N N 22 118.668 118.668 119.904 -1.236 19396 489 1 4 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.043 0.020 19396 490 1 4 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.403 0.316 19396 491 1 4 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.320 -0.153 19396 492 1 4 . 1 1 22 22 LYS H H 22 7.583 7.583 7.378 0.205 19396 493 1 4 . 1 1 23 23 LEU N N 23 116.195 116.195 120.486 -4.291 19396 494 1 4 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.024 0.246 19396 495 1 4 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.854 -1.034 19396 496 1 4 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.179 -0.235 19396 497 1 4 . 1 1 23 23 LEU H H 23 7.330 7.330 7.883 -0.553 19396 498 1 4 . 1 1 24 24 VAL N N 24 115.225 115.225 118.865 -3.640 19396 499 1 4 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.828 0.154 19396 500 1 4 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.776 -1.457 19396 501 1 4 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.159 1.099 19396 502 1 4 . 1 1 24 24 VAL H H 24 7.326 7.326 8.221 -0.895 19396 503 1 4 . 1 1 25 25 CYS N N 25 115.376 115.376 117.201 -1.825 19396 504 1 4 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.538 -0.477 19396 505 1 4 . 1 1 25 25 CYS C C 25 174.297 174.297 173.953 0.344 19396 506 1 4 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.905 10.328 19396 507 1 4 . 1 1 25 25 CYS H H 25 8.258 8.258 7.980 0.278 19396 508 1 4 . 1 1 26 26 LYS N N 26 119.613 119.613 120.905 -1.292 19396 509 1 4 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.034 0.139 19396 510 1 4 . 1 1 26 26 LYS C C 26 175.125 175.125 174.786 0.339 19396 511 1 4 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.969 -0.177 19396 512 1 4 . 1 1 26 26 LYS H H 26 7.978 7.978 8.130 -0.152 19396 513 1 5 . 1 1 2 2 LEU N N 2 122.568 122.568 122.353 0.215 19396 514 1 5 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.536 0.110 19396 515 1 5 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.343 0.061 19396 516 1 5 . 1 1 2 2 LEU CB C 2 42.567 42.567 41.693 0.874 19396 517 1 5 . 1 1 2 2 LEU H H 2 8.622 8.622 8.302 0.320 19396 518 1 5 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.561 -0.061 19396 519 1 5 . 1 1 3 3 PRO C C 3 177.335 177.335 177.462 -0.127 19396 520 1 5 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.760 0.104 19396 521 1 5 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.601 -0.195 19396 522 1 5 . 1 1 4 4 ARG N N 4 124.305 124.305 124.099 0.206 19396 523 1 5 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.897 0.097 19396 524 1 5 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.596 -0.481 19396 525 1 5 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.954 0.344 19396 526 1 5 . 1 1 4 4 ARG H H 4 8.721 8.721 8.810 -0.089 19396 527 1 5 . 1 1 5 5 LYS N N 5 117.116 117.116 119.286 -2.170 19396 528 1 5 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.134 -0.086 19396 529 1 5 . 1 1 5 5 LYS C C 5 178.657 178.657 178.163 0.494 19396 530 1 5 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.468 0.695 19396 531 1 5 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.602 1.032 19396 532 1 5 . 1 1 5 5 LYS H H 5 8.686 8.686 8.266 0.420 19396 533 1 5 . 1 1 6 6 ILE N N 6 119.465 119.465 118.525 0.940 19396 534 1 5 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.978 0.029 19396 535 1 5 . 1 1 6 6 ILE C C 6 180.162 180.162 178.169 1.993 19396 536 1 5 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.290 -0.532 19396 537 1 5 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.440 -0.555 19396 538 1 5 . 1 1 6 6 ILE H H 6 7.364 7.364 7.673 -0.309 19396 539 1 5 . 1 1 7 7 LEU N N 7 121.958 121.958 122.292 -0.334 19396 540 1 5 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.988 0.050 19396 541 1 5 . 1 1 7 7 LEU C C 7 179.647 179.647 178.348 1.299 19396 542 1 5 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.566 0.479 19396 543 1 5 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.398 0.854 19396 544 1 5 . 1 1 7 7 LEU H H 7 8.080 8.080 8.501 -0.421 19396 545 1 5 . 1 1 8 8 CYS N N 8 115.638 115.638 118.672 -3.034 19396 546 1 5 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.983 0.565 19396 547 1 5 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.319 10.823 19396 548 1 5 . 1 1 8 8 CYS H H 8 8.730 8.730 8.076 0.654 19396 549 1 5 . 1 1 9 9 ALA N N 9 124.009 124.009 123.090 0.919 19396 550 1 5 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.027 0.157 19396 551 1 5 . 1 1 9 9 ALA C C 9 180.836 180.836 179.459 1.377 19396 552 1 5 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.214 0.263 19396 553 1 5 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.490 -0.319 19396 554 1 5 . 1 1 9 9 ALA H H 9 7.736 7.736 7.688 0.048 19396 555 1 5 . 1 1 10 10 ILE N N 10 119.305 119.305 118.830 0.475 19396 556 1 5 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.702 0.037 19396 557 1 5 . 1 1 10 10 ILE C C 10 177.596 177.596 178.100 -0.504 19396 558 1 5 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.701 1.833 19396 559 1 5 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.307 1.916 19396 560 1 5 . 1 1 10 10 ILE H H 10 8.101 8.101 7.494 0.607 19396 561 1 5 . 1 1 11 11 ALA N N 11 121.508 121.508 122.316 -0.808 19396 562 1 5 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.914 0.028 19396 563 1 5 . 1 1 11 11 ALA C C 11 179.663 179.663 179.538 0.125 19396 564 1 5 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.569 -0.279 19396 565 1 5 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.175 0.259 19396 566 1 5 . 1 1 11 11 ALA H H 11 7.999 7.999 8.633 -0.634 19396 567 1 5 . 1 1 12 12 LYS N N 12 115.687 115.687 118.352 -2.665 19396 568 1 5 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.068 -0.009 19396 569 1 5 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.201 -0.014 19396 570 1 5 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.402 0.198 19396 571 1 5 . 1 1 12 12 LYS H H 12 8.058 8.058 7.618 0.440 19396 572 1 5 . 1 1 13 13 LYS N N 13 120.587 120.587 120.966 -0.379 19396 573 1 5 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.058 0.085 19396 574 1 5 . 1 1 13 13 LYS C C 13 178.141 178.141 178.594 -0.453 19396 575 1 5 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.922 -0.237 19396 576 1 5 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.467 0.133 19396 577 1 5 . 1 1 13 13 LYS H H 13 7.826 7.826 7.772 0.054 19396 578 1 5 . 1 1 14 14 LYS N N 14 116.430 116.430 115.971 0.459 19396 579 1 5 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.384 -0.096 19396 580 1 5 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.289 1.362 19396 581 1 5 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.695 0.284 19396 582 1 5 . 1 1 14 14 LYS H H 14 8.025 8.025 8.178 -0.153 19396 583 1 5 . 1 1 15 15 GLY N N 15 108.661 108.661 107.379 1.282 19396 584 1 5 . 1 1 15 15 GLY C C 15 174.966 174.966 175.162 -0.196 19396 585 1 5 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.755 0.654 19396 586 1 5 . 1 1 15 15 GLY H H 15 7.885 7.885 7.573 0.312 19396 587 1 5 . 1 1 16 16 LYS N N 16 117.160 117.160 119.880 -2.720 19396 588 1 5 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.424 -0.017 19396 589 1 5 . 1 1 16 16 LYS C C 16 175.840 175.840 176.552 -0.712 19396 590 1 5 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.813 -1.069 19396 591 1 5 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.527 -0.630 19396 592 1 5 . 1 1 16 16 LYS H H 16 8.299 8.299 8.150 0.149 19396 593 1 5 . 1 1 17 17 CYS N N 17 123.378 123.378 122.118 1.260 19396 594 1 5 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.345 -0.014 19396 595 1 5 . 1 1 17 17 CYS C C 17 172.022 172.022 173.932 -1.910 19396 596 1 5 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.161 -3.366 19396 597 1 5 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.748 14.182 19396 598 1 5 . 1 1 17 17 CYS H H 17 8.691 8.691 7.631 1.060 19396 599 1 5 . 1 1 18 18 LYS N N 18 121.370 121.370 127.429 -6.059 19396 600 1 5 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.465 0.073 19396 601 1 5 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.312 -0.472 19396 602 1 5 . 1 1 18 18 LYS H H 18 7.708 7.708 8.164 -0.456 19396 603 1 5 . 1 1 19 19 GLY N N 19 111.141 111.141 110.601 0.540 19396 604 1 5 . 1 1 19 19 GLY C C 19 174.356 174.356 173.718 0.638 19396 605 1 5 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.769 -1.416 19396 606 1 5 . 1 1 19 19 GLY H H 19 9.036 9.036 8.592 0.444 19396 607 1 5 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.323 0.048 19396 608 1 5 . 1 1 20 20 PRO C C 20 178.505 178.505 178.313 0.192 19396 609 1 5 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.389 -0.451 19396 610 1 5 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.700 0.557 19396 611 1 5 . 1 1 21 21 LEU N N 21 116.727 116.727 119.531 -2.804 19396 612 1 5 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.131 0.023 19396 613 1 5 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.215 -0.320 19396 614 1 5 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.275 0.697 19396 615 1 5 . 1 1 21 21 LEU H H 21 7.625 7.625 7.973 -0.348 19396 616 1 5 . 1 1 22 22 LYS N N 22 118.668 118.668 119.613 -0.945 19396 617 1 5 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.026 0.037 19396 618 1 5 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.391 0.328 19396 619 1 5 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.240 -0.073 19396 620 1 5 . 1 1 22 22 LYS H H 22 7.583 7.583 7.397 0.186 19396 621 1 5 . 1 1 23 23 LEU N N 23 116.195 116.195 119.891 -3.696 19396 622 1 5 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.106 0.164 19396 623 1 5 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.483 -0.663 19396 624 1 5 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.888 0.056 19396 625 1 5 . 1 1 23 23 LEU H H 23 7.330 7.330 7.741 -0.411 19396 626 1 5 . 1 1 24 24 VAL N N 24 115.225 115.225 117.805 -2.580 19396 627 1 5 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.828 0.154 19396 628 1 5 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.105 -0.786 19396 629 1 5 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.016 1.242 19396 630 1 5 . 1 1 24 24 VAL H H 24 7.326 7.326 8.071 -0.745 19396 631 1 5 . 1 1 25 25 CYS N N 25 115.376 115.376 117.184 -1.808 19396 632 1 5 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.552 -0.491 19396 633 1 5 . 1 1 25 25 CYS C C 25 174.297 174.297 173.901 0.396 19396 634 1 5 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.583 9.650 19396 635 1 5 . 1 1 25 25 CYS H H 25 8.258 8.258 8.342 -0.084 19396 636 1 5 . 1 1 26 26 LYS N N 26 119.613 119.613 121.583 -1.970 19396 637 1 5 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.042 0.131 19396 638 1 5 . 1 1 26 26 LYS C C 26 175.125 175.125 175.028 0.097 19396 639 1 5 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.198 -0.406 19396 640 1 5 . 1 1 26 26 LYS H H 26 7.978 7.978 7.979 -0.001 19396 641 1 6 . 1 1 2 2 LEU N N 2 122.568 122.568 122.277 0.291 19396 642 1 6 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.505 0.141 19396 643 1 6 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.586 -0.182 19396 644 1 6 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.411 0.156 19396 645 1 6 . 1 1 2 2 LEU H H 2 8.622 8.622 8.254 0.368 19396 646 1 6 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.579 -0.079 19396 647 1 6 . 1 1 3 3 PRO C C 3 177.335 177.335 177.564 -0.229 19396 648 1 6 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.661 0.203 19396 649 1 6 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.690 -0.284 19396 650 1 6 . 1 1 4 4 ARG N N 4 124.305 124.305 123.873 0.432 19396 651 1 6 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.890 0.104 19396 652 1 6 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.554 -1.439 19396 653 1 6 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.056 0.242 19396 654 1 6 . 1 1 4 4 ARG H H 4 8.721 8.721 8.820 -0.099 19396 655 1 6 . 1 1 5 5 LYS N N 5 117.116 117.116 117.997 -0.881 19396 656 1 6 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.047 0.001 19396 657 1 6 . 1 1 5 5 LYS C C 5 178.657 178.657 178.473 0.184 19396 658 1 6 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.096 0.067 19396 659 1 6 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.944 0.691 19396 660 1 6 . 1 1 5 5 LYS H H 5 8.686 8.686 8.279 0.407 19396 661 1 6 . 1 1 6 6 ILE N N 6 119.465 119.465 117.928 1.537 19396 662 1 6 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.015 -0.008 19396 663 1 6 . 1 1 6 6 ILE C C 6 180.162 180.162 178.050 2.112 19396 664 1 6 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.928 -0.170 19396 665 1 6 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.494 -0.609 19396 666 1 6 . 1 1 6 6 ILE H H 6 7.364 7.364 7.574 -0.210 19396 667 1 6 . 1 1 7 7 LEU N N 7 121.958 121.958 122.260 -0.302 19396 668 1 6 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.029 0.009 19396 669 1 6 . 1 1 7 7 LEU C C 7 179.647 179.647 178.274 1.373 19396 670 1 6 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.432 0.613 19396 671 1 6 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.465 0.786 19396 672 1 6 . 1 1 7 7 LEU H H 7 8.080 8.080 8.514 -0.434 19396 673 1 6 . 1 1 8 8 CYS N N 8 115.638 115.638 118.858 -3.220 19396 674 1 6 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.996 0.552 19396 675 1 6 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.207 10.935 19396 676 1 6 . 1 1 8 8 CYS H H 8 8.730 8.730 8.112 0.618 19396 677 1 6 . 1 1 9 9 ALA N N 9 124.009 124.009 123.403 0.606 19396 678 1 6 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.992 0.192 19396 679 1 6 . 1 1 9 9 ALA C C 9 180.836 180.836 179.545 1.291 19396 680 1 6 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.240 0.237 19396 681 1 6 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.456 -0.285 19396 682 1 6 . 1 1 9 9 ALA H H 9 7.736 7.736 7.637 0.099 19396 683 1 6 . 1 1 10 10 ILE N N 10 119.305 119.305 118.532 0.773 19396 684 1 6 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.666 0.073 19396 685 1 6 . 1 1 10 10 ILE C C 10 177.596 177.596 177.820 -0.224 19396 686 1 6 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.747 -0.213 19396 687 1 6 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.767 0.456 19396 688 1 6 . 1 1 10 10 ILE H H 10 8.101 8.101 7.349 0.752 19396 689 1 6 . 1 1 11 11 ALA N N 11 121.508 121.508 123.215 -1.707 19396 690 1 6 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.964 -0.022 19396 691 1 6 . 1 1 11 11 ALA C C 11 179.663 179.663 179.432 0.231 19396 692 1 6 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.361 -0.071 19396 693 1 6 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.283 0.151 19396 694 1 6 . 1 1 11 11 ALA H H 11 7.999 7.999 8.614 -0.615 19396 695 1 6 . 1 1 12 12 LYS N N 12 115.687 115.687 116.674 -0.987 19396 696 1 6 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.092 -0.033 19396 697 1 6 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.721 0.466 19396 698 1 6 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.292 0.308 19396 699 1 6 . 1 1 12 12 LYS H H 12 8.058 8.058 7.507 0.551 19396 700 1 6 . 1 1 13 13 LYS N N 13 120.587 120.587 118.497 2.090 19396 701 1 6 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.225 -0.082 19396 702 1 6 . 1 1 13 13 LYS C C 13 178.141 178.141 178.315 -0.174 19396 703 1 6 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.026 0.659 19396 704 1 6 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.330 0.270 19396 705 1 6 . 1 1 13 13 LYS H H 13 7.826 7.826 7.470 0.356 19396 706 1 6 . 1 1 14 14 LYS N N 14 116.430 116.430 116.899 -0.469 19396 707 1 6 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.320 -0.032 19396 708 1 6 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.779 0.872 19396 709 1 6 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.996 -0.017 19396 710 1 6 . 1 1 14 14 LYS H H 14 8.025 8.025 8.175 -0.150 19396 711 1 6 . 1 1 15 15 GLY N N 15 108.661 108.661 107.070 1.591 19396 712 1 6 . 1 1 15 15 GLY C C 15 174.966 174.966 174.685 0.281 19396 713 1 6 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.281 1.129 19396 714 1 6 . 1 1 15 15 GLY H H 15 7.885 7.885 8.279 -0.394 19396 715 1 6 . 1 1 16 16 LYS N N 16 117.160 117.160 120.584 -3.424 19396 716 1 6 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.536 -0.129 19396 717 1 6 . 1 1 16 16 LYS C C 16 175.840 175.840 175.098 0.742 19396 718 1 6 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.258 -0.514 19396 719 1 6 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.417 0.480 19396 720 1 6 . 1 1 16 16 LYS H H 16 8.299 8.299 8.154 0.145 19396 721 1 6 . 1 1 17 17 CYS N N 17 123.378 123.378 120.715 2.663 19396 722 1 6 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.620 -0.289 19396 723 1 6 . 1 1 17 17 CYS C C 17 172.022 172.022 173.409 -1.387 19396 724 1 6 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.528 -1.733 19396 725 1 6 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.983 13.947 19396 726 1 6 . 1 1 17 17 CYS H H 17 8.691 8.691 8.231 0.460 19396 727 1 6 . 1 1 18 18 LYS N N 18 121.370 121.370 127.211 -5.841 19396 728 1 6 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.482 0.056 19396 729 1 6 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.366 1.474 19396 730 1 6 . 1 1 18 18 LYS H H 18 7.708 7.708 8.370 -0.662 19396 731 1 6 . 1 1 19 19 GLY N N 19 111.141 111.141 109.144 1.997 19396 732 1 6 . 1 1 19 19 GLY C C 19 174.356 174.356 173.769 0.587 19396 733 1 6 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.709 -0.356 19396 734 1 6 . 1 1 19 19 GLY H H 19 9.036 9.036 8.428 0.608 19396 735 1 6 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.271 0.100 19396 736 1 6 . 1 1 20 20 PRO C C 20 178.505 178.505 178.130 0.375 19396 737 1 6 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.077 -0.139 19396 738 1 6 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.817 0.439 19396 739 1 6 . 1 1 21 21 LEU N N 21 116.727 116.727 118.362 -1.635 19396 740 1 6 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.064 0.090 19396 741 1 6 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.734 -0.839 19396 742 1 6 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.640 0.332 19396 743 1 6 . 1 1 21 21 LEU H H 21 7.625 7.625 7.962 -0.337 19396 744 1 6 . 1 1 22 22 LYS N N 22 118.668 118.668 118.844 -0.176 19396 745 1 6 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.012 0.051 19396 746 1 6 . 1 1 22 22 LYS CA C 22 59.719 59.719 58.891 0.828 19396 747 1 6 . 1 1 22 22 LYS CB C 22 32.167 32.167 31.717 0.450 19396 748 1 6 . 1 1 22 22 LYS H H 22 7.583 7.583 7.510 0.073 19396 749 1 6 . 1 1 23 23 LEU N N 23 116.195 116.195 119.454 -3.259 19396 750 1 6 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.235 0.035 19396 751 1 6 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.627 -0.806 19396 752 1 6 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.938 0.006 19396 753 1 6 . 1 1 23 23 LEU H H 23 7.330 7.330 7.567 -0.237 19396 754 1 6 . 1 1 24 24 VAL N N 24 115.225 115.225 119.750 -4.525 19396 755 1 6 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.761 0.221 19396 756 1 6 . 1 1 24 24 VAL CA C 24 64.319 64.319 66.065 -1.746 19396 757 1 6 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.960 1.298 19396 758 1 6 . 1 1 24 24 VAL H H 24 7.326 7.326 8.363 -1.037 19396 759 1 6 . 1 1 25 25 CYS N N 25 115.376 115.376 117.043 -1.667 19396 760 1 6 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.431 -0.370 19396 761 1 6 . 1 1 25 25 CYS C C 25 174.297 174.297 174.279 0.018 19396 762 1 6 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.146 11.087 19396 763 1 6 . 1 1 25 25 CYS H H 25 8.258 8.258 8.102 0.156 19396 764 1 6 . 1 1 26 26 LYS N N 26 119.613 119.613 120.111 -0.498 19396 765 1 6 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.076 0.097 19396 766 1 6 . 1 1 26 26 LYS C C 26 175.125 175.125 175.977 -0.852 19396 767 1 6 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.002 -0.210 19396 768 1 6 . 1 1 26 26 LYS H H 26 7.978 7.978 8.058 -0.080 19396 769 1 7 . 1 1 2 2 LEU N N 2 122.568 122.568 122.159 0.409 19396 770 1 7 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.496 0.150 19396 771 1 7 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.592 -0.188 19396 772 1 7 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.402 0.165 19396 773 1 7 . 1 1 2 2 LEU H H 2 8.622 8.622 8.260 0.362 19396 774 1 7 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.553 -0.053 19396 775 1 7 . 1 1 3 3 PRO C C 3 177.335 177.335 177.408 -0.073 19396 776 1 7 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.612 0.252 19396 777 1 7 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.661 -0.255 19396 778 1 7 . 1 1 4 4 ARG N N 4 124.305 124.305 124.179 0.126 19396 779 1 7 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.941 0.053 19396 780 1 7 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.564 -0.449 19396 781 1 7 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.875 0.423 19396 782 1 7 . 1 1 4 4 ARG H H 4 8.721 8.721 8.793 -0.072 19396 783 1 7 . 1 1 5 5 LYS N N 5 117.116 117.116 118.094 -0.978 19396 784 1 7 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.189 -0.141 19396 785 1 7 . 1 1 5 5 LYS C C 5 178.657 178.657 178.354 0.303 19396 786 1 7 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.505 0.658 19396 787 1 7 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.812 0.822 19396 788 1 7 . 1 1 5 5 LYS H H 5 8.686 8.686 8.314 0.372 19396 789 1 7 . 1 1 6 6 ILE N N 6 119.465 119.465 121.683 -2.218 19396 790 1 7 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.842 0.165 19396 791 1 7 . 1 1 6 6 ILE C C 6 180.162 180.162 177.623 2.539 19396 792 1 7 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.184 -0.427 19396 793 1 7 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.022 -0.137 19396 794 1 7 . 1 1 6 6 ILE H H 6 7.364 7.364 7.471 -0.107 19396 795 1 7 . 1 1 7 7 LEU N N 7 121.958 121.958 120.428 1.530 19396 796 1 7 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.874 0.164 19396 797 1 7 . 1 1 7 7 LEU C C 7 179.647 179.647 178.811 0.836 19396 798 1 7 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.113 -0.068 19396 799 1 7 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.315 0.937 19396 800 1 7 . 1 1 7 7 LEU H H 7 8.080 8.080 8.330 -0.250 19396 801 1 7 . 1 1 8 8 CYS N N 8 115.638 115.638 118.572 -2.934 19396 802 1 7 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.053 0.495 19396 803 1 7 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.460 10.682 19396 804 1 7 . 1 1 8 8 CYS H H 8 8.730 8.730 8.268 0.462 19396 805 1 7 . 1 1 9 9 ALA N N 9 124.009 124.009 123.326 0.683 19396 806 1 7 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.995 0.189 19396 807 1 7 . 1 1 9 9 ALA C C 9 180.836 180.836 179.506 1.330 19396 808 1 7 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.206 0.272 19396 809 1 7 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.352 -0.181 19396 810 1 7 . 1 1 9 9 ALA H H 9 7.736 7.736 7.517 0.219 19396 811 1 7 . 1 1 10 10 ILE N N 10 119.305 119.305 118.497 0.808 19396 812 1 7 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.700 0.039 19396 813 1 7 . 1 1 10 10 ILE C C 10 177.596 177.596 177.784 -0.188 19396 814 1 7 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.812 -0.278 19396 815 1 7 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.868 0.355 19396 816 1 7 . 1 1 10 10 ILE H H 10 8.101 8.101 7.414 0.687 19396 817 1 7 . 1 1 11 11 ALA N N 11 121.508 121.508 123.237 -1.729 19396 818 1 7 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.103 -0.161 19396 819 1 7 . 1 1 11 11 ALA C C 11 179.663 179.663 179.355 0.308 19396 820 1 7 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.350 -0.060 19396 821 1 7 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.447 -0.013 19396 822 1 7 . 1 1 11 11 ALA H H 11 7.999 7.999 8.654 -0.655 19396 823 1 7 . 1 1 12 12 LYS N N 12 115.687 115.687 116.604 -0.917 19396 824 1 7 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.121 -0.062 19396 825 1 7 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.669 0.519 19396 826 1 7 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.475 0.125 19396 827 1 7 . 1 1 12 12 LYS H H 12 8.058 8.058 7.556 0.502 19396 828 1 7 . 1 1 13 13 LYS N N 13 120.587 120.587 119.549 1.038 19396 829 1 7 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.147 -0.004 19396 830 1 7 . 1 1 13 13 LYS C C 13 178.141 178.141 178.492 -0.351 19396 831 1 7 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.568 0.117 19396 832 1 7 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.656 -0.056 19396 833 1 7 . 1 1 13 13 LYS H H 13 7.826 7.826 7.584 0.242 19396 834 1 7 . 1 1 14 14 LYS N N 14 116.430 116.430 116.642 -0.212 19396 835 1 7 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.335 -0.047 19396 836 1 7 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.668 0.983 19396 837 1 7 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.742 0.237 19396 838 1 7 . 1 1 14 14 LYS H H 14 8.025 8.025 8.167 -0.142 19396 839 1 7 . 1 1 15 15 GLY N N 15 108.661 108.661 107.970 0.691 19396 840 1 7 . 1 1 15 15 GLY C C 15 174.966 174.966 174.405 0.561 19396 841 1 7 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.484 0.925 19396 842 1 7 . 1 1 15 15 GLY H H 15 7.885 7.885 7.787 0.098 19396 843 1 7 . 1 1 16 16 LYS N N 16 117.160 117.160 121.330 -4.170 19396 844 1 7 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.688 -0.281 19396 845 1 7 . 1 1 16 16 LYS C C 16 175.840 175.840 174.480 1.360 19396 846 1 7 . 1 1 16 16 LYS CA C 16 54.744 54.744 54.968 -0.224 19396 847 1 7 . 1 1 16 16 LYS CB C 16 32.897 32.897 31.915 0.982 19396 848 1 7 . 1 1 16 16 LYS H H 16 8.299 8.299 8.174 0.125 19396 849 1 7 . 1 1 17 17 CYS N N 17 123.378 123.378 121.688 1.690 19396 850 1 7 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.636 -0.305 19396 851 1 7 . 1 1 17 17 CYS C C 17 172.022 172.022 172.658 -0.636 19396 852 1 7 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.712 -1.917 19396 853 1 7 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.970 11.960 19396 854 1 7 . 1 1 17 17 CYS H H 17 8.691 8.691 8.399 0.292 19396 855 1 7 . 1 1 18 18 LYS N N 18 121.370 121.370 125.195 -3.825 19396 856 1 7 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.448 0.090 19396 857 1 7 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.685 1.155 19396 858 1 7 . 1 1 18 18 LYS H H 18 7.708 7.708 8.144 -0.436 19396 859 1 7 . 1 1 19 19 GLY N N 19 111.141 111.141 109.261 1.880 19396 860 1 7 . 1 1 19 19 GLY C C 19 174.356 174.356 173.526 0.830 19396 861 1 7 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.203 -0.850 19396 862 1 7 . 1 1 19 19 GLY H H 19 9.036 9.036 8.528 0.508 19396 863 1 7 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.265 0.106 19396 864 1 7 . 1 1 20 20 PRO C C 20 178.505 178.505 178.203 0.302 19396 865 1 7 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.593 -0.655 19396 866 1 7 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.729 0.527 19396 867 1 7 . 1 1 21 21 LEU N N 21 116.727 116.727 118.074 -1.347 19396 868 1 7 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.091 0.063 19396 869 1 7 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.514 -0.619 19396 870 1 7 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.306 0.666 19396 871 1 7 . 1 1 21 21 LEU H H 21 7.625 7.625 7.913 -0.288 19396 872 1 7 . 1 1 22 22 LYS N N 22 118.668 118.668 119.753 -1.085 19396 873 1 7 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.048 0.015 19396 874 1 7 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.379 0.340 19396 875 1 7 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.279 -0.112 19396 876 1 7 . 1 1 22 22 LYS H H 22 7.583 7.583 7.462 0.121 19396 877 1 7 . 1 1 23 23 LEU N N 23 116.195 116.195 119.804 -3.609 19396 878 1 7 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.043 0.227 19396 879 1 7 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.589 -0.769 19396 880 1 7 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.883 0.061 19396 881 1 7 . 1 1 23 23 LEU H H 23 7.330 7.330 7.846 -0.516 19396 882 1 7 . 1 1 24 24 VAL N N 24 115.225 115.225 116.757 -1.532 19396 883 1 7 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.816 0.166 19396 884 1 7 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.450 -1.131 19396 885 1 7 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.221 1.037 19396 886 1 7 . 1 1 24 24 VAL H H 24 7.326 7.326 7.856 -0.530 19396 887 1 7 . 1 1 25 25 CYS N N 25 115.376 115.376 116.018 -0.642 19396 888 1 7 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.577 -0.516 19396 889 1 7 . 1 1 25 25 CYS C C 25 174.297 174.297 173.820 0.477 19396 890 1 7 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.904 10.329 19396 891 1 7 . 1 1 25 25 CYS H H 25 8.258 8.258 8.310 -0.052 19396 892 1 7 . 1 1 26 26 LYS N N 26 119.613 119.613 117.920 1.693 19396 893 1 7 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.982 0.191 19396 894 1 7 . 1 1 26 26 LYS C C 26 175.125 175.125 175.564 -0.439 19396 895 1 7 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.964 -0.172 19396 896 1 7 . 1 1 26 26 LYS H H 26 7.978 7.978 8.178 -0.200 19396 897 1 8 . 1 1 2 2 LEU N N 2 122.568 122.568 123.566 -0.998 19396 898 1 8 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.473 0.172 19396 899 1 8 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.797 -0.393 19396 900 1 8 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.239 0.328 19396 901 1 8 . 1 1 2 2 LEU H H 2 8.622 8.622 8.204 0.418 19396 902 1 8 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.659 -0.159 19396 903 1 8 . 1 1 3 3 PRO C C 3 177.335 177.335 177.928 -0.593 19396 904 1 8 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.159 0.705 19396 905 1 8 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.877 -0.471 19396 906 1 8 . 1 1 4 4 ARG N N 4 124.305 124.305 121.712 2.593 19396 907 1 8 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.893 0.101 19396 908 1 8 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.476 -0.361 19396 909 1 8 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.578 0.720 19396 910 1 8 . 1 1 4 4 ARG H H 4 8.721 8.721 8.744 -0.023 19396 911 1 8 . 1 1 5 5 LYS N N 5 117.116 117.116 116.889 0.227 19396 912 1 8 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.202 -0.154 19396 913 1 8 . 1 1 5 5 LYS C C 5 178.657 178.657 177.479 1.178 19396 914 1 8 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.498 0.665 19396 915 1 8 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.045 0.590 19396 916 1 8 . 1 1 5 5 LYS H H 5 8.686 8.686 8.224 0.462 19396 917 1 8 . 1 1 6 6 ILE N N 6 119.465 119.465 119.084 0.381 19396 918 1 8 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.018 -0.011 19396 919 1 8 . 1 1 6 6 ILE C C 6 180.162 180.162 177.700 2.462 19396 920 1 8 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.737 0.021 19396 921 1 8 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.044 -1.159 19396 922 1 8 . 1 1 6 6 ILE H H 6 7.364 7.364 7.534 -0.170 19396 923 1 8 . 1 1 7 7 LEU N N 7 121.958 121.958 121.714 0.244 19396 924 1 8 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.878 0.160 19396 925 1 8 . 1 1 7 7 LEU C C 7 179.647 179.647 178.439 1.208 19396 926 1 8 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.925 0.120 19396 927 1 8 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.196 1.056 19396 928 1 8 . 1 1 7 7 LEU H H 7 8.080 8.080 8.464 -0.384 19396 929 1 8 . 1 1 8 8 CYS N N 8 115.638 115.638 119.120 -3.482 19396 930 1 8 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.987 0.561 19396 931 1 8 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.368 10.774 19396 932 1 8 . 1 1 8 8 CYS H H 8 8.730 8.730 8.049 0.681 19396 933 1 8 . 1 1 9 9 ALA N N 9 124.009 124.009 122.624 1.385 19396 934 1 8 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.984 0.200 19396 935 1 8 . 1 1 9 9 ALA C C 9 180.836 180.836 179.477 1.359 19396 936 1 8 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.377 0.100 19396 937 1 8 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.170 0.001 19396 938 1 8 . 1 1 9 9 ALA H H 9 7.736 7.736 7.848 -0.112 19396 939 1 8 . 1 1 10 10 ILE N N 10 119.305 119.305 118.693 0.612 19396 940 1 8 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.774 -0.035 19396 941 1 8 . 1 1 10 10 ILE C C 10 177.596 177.596 177.759 -0.163 19396 942 1 8 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.179 0.355 19396 943 1 8 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.904 0.319 19396 944 1 8 . 1 1 10 10 ILE H H 10 8.101 8.101 7.328 0.773 19396 945 1 8 . 1 1 11 11 ALA N N 11 121.508 121.508 122.867 -1.359 19396 946 1 8 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.959 -0.017 19396 947 1 8 . 1 1 11 11 ALA C C 11 179.663 179.663 179.154 0.509 19396 948 1 8 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.663 -0.373 19396 949 1 8 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.343 0.091 19396 950 1 8 . 1 1 11 11 ALA H H 11 7.999 7.999 8.654 -0.655 19396 951 1 8 . 1 1 12 12 LYS N N 12 115.687 115.687 116.545 -0.858 19396 952 1 8 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.121 -0.062 19396 953 1 8 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.573 0.614 19396 954 1 8 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.224 0.376 19396 955 1 8 . 1 1 12 12 LYS H H 12 8.058 8.058 8.026 0.032 19396 956 1 8 . 1 1 13 13 LYS N N 13 120.587 120.587 120.328 0.259 19396 957 1 8 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.148 -0.005 19396 958 1 8 . 1 1 13 13 LYS C C 13 178.141 178.141 178.534 -0.393 19396 959 1 8 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.687 -0.002 19396 960 1 8 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.603 -0.003 19396 961 1 8 . 1 1 13 13 LYS H H 13 7.826 7.826 7.504 0.322 19396 962 1 8 . 1 1 14 14 LYS N N 14 116.430 116.430 116.313 0.117 19396 963 1 8 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.292 -0.003 19396 964 1 8 . 1 1 14 14 LYS CA C 14 56.651 56.651 56.149 0.502 19396 965 1 8 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.149 -0.170 19396 966 1 8 . 1 1 14 14 LYS H H 14 8.025 8.025 8.062 -0.037 19396 967 1 8 . 1 1 15 15 GLY N N 15 108.661 108.661 106.423 2.238 19396 968 1 8 . 1 1 15 15 GLY C C 15 174.966 174.966 174.804 0.162 19396 969 1 8 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.482 0.927 19396 970 1 8 . 1 1 15 15 GLY H H 15 7.885 7.885 8.311 -0.426 19396 971 1 8 . 1 1 16 16 LYS N N 16 117.160 117.160 118.790 -1.630 19396 972 1 8 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.448 -0.041 19396 973 1 8 . 1 1 16 16 LYS C C 16 175.840 175.840 176.421 -0.581 19396 974 1 8 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.081 -0.337 19396 975 1 8 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.276 0.621 19396 976 1 8 . 1 1 16 16 LYS H H 16 8.299 8.299 8.268 0.031 19396 977 1 8 . 1 1 17 17 CYS N N 17 123.378 123.378 122.002 1.376 19396 978 1 8 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.335 -0.004 19396 979 1 8 . 1 1 17 17 CYS C C 17 172.022 172.022 173.521 -1.499 19396 980 1 8 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.880 -3.085 19396 981 1 8 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.710 14.220 19396 982 1 8 . 1 1 17 17 CYS H H 17 8.691 8.691 7.672 1.019 19396 983 1 8 . 1 1 18 18 LYS N N 18 121.370 121.370 126.386 -5.016 19396 984 1 8 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.477 0.061 19396 985 1 8 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.774 0.066 19396 986 1 8 . 1 1 18 18 LYS H H 18 7.708 7.708 7.872 -0.164 19396 987 1 8 . 1 1 19 19 GLY N N 19 111.141 111.141 110.133 1.008 19396 988 1 8 . 1 1 19 19 GLY C C 19 174.356 174.356 174.053 0.303 19396 989 1 8 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.827 -1.474 19396 990 1 8 . 1 1 19 19 GLY H H 19 9.036 9.036 8.497 0.539 19396 991 1 8 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.316 0.055 19396 992 1 8 . 1 1 20 20 PRO C C 20 178.505 178.505 178.330 0.175 19396 993 1 8 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.442 -0.504 19396 994 1 8 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.678 0.578 19396 995 1 8 . 1 1 21 21 LEU N N 21 116.727 116.727 119.259 -2.532 19396 996 1 8 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.137 0.017 19396 997 1 8 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.322 -0.426 19396 998 1 8 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.267 0.705 19396 999 1 8 . 1 1 21 21 LEU H H 21 7.625 7.625 7.947 -0.322 19396 1000 1 8 . 1 1 22 22 LYS N N 22 118.668 118.668 119.665 -0.997 19396 1001 1 8 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.053 0.010 19396 1002 1 8 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.301 0.418 19396 1003 1 8 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.300 -0.133 19396 1004 1 8 . 1 1 22 22 LYS H H 22 7.583 7.583 7.385 0.198 19396 1005 1 8 . 1 1 23 23 LEU N N 23 116.195 116.195 120.868 -4.673 19396 1006 1 8 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.070 0.200 19396 1007 1 8 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.836 -1.016 19396 1008 1 8 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.907 0.037 19396 1009 1 8 . 1 1 23 23 LEU H H 23 7.330 7.330 7.953 -0.623 19396 1010 1 8 . 1 1 24 24 VAL N N 24 115.225 115.225 119.021 -3.796 19396 1011 1 8 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.812 0.170 19396 1012 1 8 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.691 -1.372 19396 1013 1 8 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.217 1.041 19396 1014 1 8 . 1 1 24 24 VAL H H 24 7.326 7.326 8.405 -1.079 19396 1015 1 8 . 1 1 25 25 CYS N N 25 115.376 115.376 115.632 -0.256 19396 1016 1 8 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.589 -0.528 19396 1017 1 8 . 1 1 25 25 CYS C C 25 174.297 174.297 174.461 -0.164 19396 1018 1 8 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.232 10.001 19396 1019 1 8 . 1 1 25 25 CYS H H 25 8.258 8.258 7.949 0.309 19396 1020 1 8 . 1 1 26 26 LYS N N 26 119.613 119.613 121.151 -1.538 19396 1021 1 8 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.079 0.094 19396 1022 1 8 . 1 1 26 26 LYS C C 26 175.125 175.125 175.778 -0.653 19396 1023 1 8 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.892 -0.101 19396 1024 1 8 . 1 1 26 26 LYS H H 26 7.978 7.978 8.218 -0.240 19396 1025 1 9 . 1 1 2 2 LEU N N 2 122.568 122.568 123.468 -0.900 19396 1026 1 9 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.487 0.159 19396 1027 1 9 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.805 -0.401 19396 1028 1 9 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.205 0.362 19396 1029 1 9 . 1 1 2 2 LEU H H 2 8.622 8.622 8.206 0.416 19396 1030 1 9 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.623 -0.123 19396 1031 1 9 . 1 1 3 3 PRO C C 3 177.335 177.335 177.797 -0.462 19396 1032 1 9 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.317 0.547 19396 1033 1 9 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.885 -0.479 19396 1034 1 9 . 1 1 4 4 ARG N N 4 124.305 124.305 123.240 1.065 19396 1035 1 9 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.892 0.102 19396 1036 1 9 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.075 0.040 19396 1037 1 9 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.170 1.128 19396 1038 1 9 . 1 1 4 4 ARG H H 4 8.721 8.721 8.755 -0.034 19396 1039 1 9 . 1 1 5 5 LYS N N 5 117.116 117.116 117.603 -0.487 19396 1040 1 9 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.190 -0.142 19396 1041 1 9 . 1 1 5 5 LYS C C 5 178.657 178.657 177.323 1.334 19396 1042 1 9 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.465 0.698 19396 1043 1 9 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.089 0.546 19396 1044 1 9 . 1 1 5 5 LYS H H 5 8.686 8.686 8.431 0.255 19396 1045 1 9 . 1 1 6 6 ILE N N 6 119.465 119.465 118.416 1.049 19396 1046 1 9 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.086 -0.079 19396 1047 1 9 . 1 1 6 6 ILE C C 6 180.162 180.162 177.698 2.464 19396 1048 1 9 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.640 0.118 19396 1049 1 9 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.222 -1.337 19396 1050 1 9 . 1 1 6 6 ILE H H 6 7.364 7.364 7.680 -0.316 19396 1051 1 9 . 1 1 7 7 LEU N N 7 121.958 121.958 122.447 -0.489 19396 1052 1 9 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.004 0.034 19396 1053 1 9 . 1 1 7 7 LEU C C 7 179.647 179.647 178.167 1.480 19396 1054 1 9 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.674 0.371 19396 1055 1 9 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.455 0.797 19396 1056 1 9 . 1 1 7 7 LEU H H 7 8.080 8.080 8.445 -0.365 19396 1057 1 9 . 1 1 8 8 CYS N N 8 115.638 115.638 118.844 -3.206 19396 1058 1 9 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.973 0.575 19396 1059 1 9 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.250 10.892 19396 1060 1 9 . 1 1 8 8 CYS H H 8 8.730 8.730 8.105 0.625 19396 1061 1 9 . 1 1 9 9 ALA N N 9 124.009 124.009 121.720 2.289 19396 1062 1 9 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.046 0.138 19396 1063 1 9 . 1 1 9 9 ALA C C 9 180.836 180.836 178.982 1.854 19396 1064 1 9 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.894 0.583 19396 1065 1 9 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.282 -0.111 19396 1066 1 9 . 1 1 9 9 ALA H H 9 7.736 7.736 7.835 -0.099 19396 1067 1 9 . 1 1 10 10 ILE N N 10 119.305 119.305 117.910 1.395 19396 1068 1 9 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.950 -0.211 19396 1069 1 9 . 1 1 10 10 ILE C C 10 177.596 177.596 177.569 0.027 19396 1070 1 9 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.674 0.860 19396 1071 1 9 . 1 1 10 10 ILE CB C 10 38.223 38.223 38.392 -0.169 19396 1072 1 9 . 1 1 10 10 ILE H H 10 8.101 8.101 7.344 0.757 19396 1073 1 9 . 1 1 11 11 ALA N N 11 121.508 121.508 123.267 -1.759 19396 1074 1 9 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.944 -0.002 19396 1075 1 9 . 1 1 11 11 ALA C C 11 179.663 179.663 179.039 0.624 19396 1076 1 9 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.742 -0.452 19396 1077 1 9 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.352 0.082 19396 1078 1 9 . 1 1 11 11 ALA H H 11 7.999 7.999 8.693 -0.694 19396 1079 1 9 . 1 1 12 12 LYS N N 12 115.687 115.687 116.175 -0.488 19396 1080 1 9 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.170 -0.111 19396 1081 1 9 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.431 0.756 19396 1082 1 9 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.364 0.236 19396 1083 1 9 . 1 1 12 12 LYS H H 12 8.058 8.058 8.169 -0.111 19396 1084 1 9 . 1 1 13 13 LYS N N 13 120.587 120.587 120.321 0.266 19396 1085 1 9 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.172 -0.029 19396 1086 1 9 . 1 1 13 13 LYS C C 13 178.141 178.141 178.323 -0.182 19396 1087 1 9 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.666 0.019 19396 1088 1 9 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.597 0.003 19396 1089 1 9 . 1 1 13 13 LYS H H 13 7.826 7.826 7.603 0.223 19396 1090 1 9 . 1 1 14 14 LYS N N 14 116.430 116.430 116.196 0.234 19396 1091 1 9 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.274 0.014 19396 1092 1 9 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.784 0.867 19396 1093 1 9 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.980 -0.001 19396 1094 1 9 . 1 1 14 14 LYS H H 14 8.025 8.025 8.166 -0.141 19396 1095 1 9 . 1 1 15 15 GLY N N 15 108.661 108.661 106.080 2.581 19396 1096 1 9 . 1 1 15 15 GLY C C 15 174.966 174.966 175.577 -0.611 19396 1097 1 9 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.528 0.881 19396 1098 1 9 . 1 1 15 15 GLY H H 15 7.885 7.885 7.909 -0.024 19396 1099 1 9 . 1 1 16 16 LYS N N 16 117.160 117.160 118.736 -1.576 19396 1100 1 9 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.419 -0.012 19396 1101 1 9 . 1 1 16 16 LYS C C 16 175.840 175.840 176.847 -1.007 19396 1102 1 9 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.498 -0.754 19396 1103 1 9 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.695 0.202 19396 1104 1 9 . 1 1 16 16 LYS H H 16 8.299 8.299 8.165 0.134 19396 1105 1 9 . 1 1 17 17 CYS N N 17 123.378 123.378 121.285 2.093 19396 1106 1 9 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.311 0.020 19396 1107 1 9 . 1 1 17 17 CYS C C 17 172.022 172.022 174.278 -2.256 19396 1108 1 9 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.128 -3.333 19396 1109 1 9 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.988 13.942 19396 1110 1 9 . 1 1 17 17 CYS H H 17 8.691 8.691 7.646 1.045 19396 1111 1 9 . 1 1 18 18 LYS N N 18 121.370 121.370 127.834 -6.464 19396 1112 1 9 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.509 0.029 19396 1113 1 9 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.939 -0.099 19396 1114 1 9 . 1 1 18 18 LYS H H 18 7.708 7.708 8.257 -0.549 19396 1115 1 9 . 1 1 19 19 GLY N N 19 111.141 111.141 110.506 0.635 19396 1116 1 9 . 1 1 19 19 GLY C C 19 174.356 174.356 173.517 0.839 19396 1117 1 9 . 1 1 19 19 GLY CA C 19 45.353 45.353 47.497 -2.144 19396 1118 1 9 . 1 1 19 19 GLY H H 19 9.036 9.036 8.670 0.366 19396 1119 1 9 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.435 -0.064 19396 1120 1 9 . 1 1 20 20 PRO C C 20 178.505 178.505 176.776 1.729 19396 1121 1 9 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.805 0.134 19396 1122 1 9 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.663 0.594 19396 1123 1 9 . 1 1 21 21 LEU N N 21 116.727 116.727 119.408 -2.681 19396 1124 1 9 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.615 -0.461 19396 1125 1 9 . 1 1 21 21 LEU CA C 21 56.895 56.895 55.199 1.696 19396 1126 1 9 . 1 1 21 21 LEU CB C 21 41.972 41.972 42.659 -0.687 19396 1127 1 9 . 1 1 21 21 LEU H H 21 7.625 7.625 8.427 -0.802 19396 1128 1 9 . 1 1 22 22 LYS N N 22 118.668 118.668 121.484 -2.816 19396 1129 1 9 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.032 0.031 19396 1130 1 9 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.729 -0.010 19396 1131 1 9 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.485 -0.318 19396 1132 1 9 . 1 1 22 22 LYS H H 22 7.583 7.583 7.619 -0.036 19396 1133 1 9 . 1 1 23 23 LEU N N 23 116.195 116.195 118.640 -2.445 19396 1134 1 9 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.147 0.123 19396 1135 1 9 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.974 -1.154 19396 1136 1 9 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.251 -0.307 19396 1137 1 9 . 1 1 23 23 LEU H H 23 7.330 7.330 8.105 -0.775 19396 1138 1 9 . 1 1 24 24 VAL N N 24 115.225 115.225 116.983 -1.758 19396 1139 1 9 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.886 0.096 19396 1140 1 9 . 1 1 24 24 VAL CA C 24 64.319 64.319 64.627 -0.308 19396 1141 1 9 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.618 0.640 19396 1142 1 9 . 1 1 24 24 VAL H H 24 7.326 7.326 7.236 0.090 19396 1143 1 9 . 1 1 25 25 CYS N N 25 115.376 115.376 116.434 -1.058 19396 1144 1 9 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.702 -0.641 19396 1145 1 9 . 1 1 25 25 CYS C C 25 174.297 174.297 173.960 0.337 19396 1146 1 9 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.368 9.865 19396 1147 1 9 . 1 1 25 25 CYS H H 25 8.258 8.258 7.990 0.268 19396 1148 1 9 . 1 1 26 26 LYS N N 26 119.613 119.613 121.607 -1.994 19396 1149 1 9 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.134 0.039 19396 1150 1 9 . 1 1 26 26 LYS C C 26 175.125 175.125 174.996 0.129 19396 1151 1 9 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.109 -0.317 19396 1152 1 9 . 1 1 26 26 LYS H H 26 7.978 7.978 7.872 0.106 19396 1153 1 10 . 1 1 2 2 LEU N N 2 122.568 122.568 122.215 0.353 19396 1154 1 10 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.597 0.049 19396 1155 1 10 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.374 0.030 19396 1156 1 10 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.384 -1.817 19396 1157 1 10 . 1 1 2 2 LEU H H 2 8.622 8.622 8.212 0.410 19396 1158 1 10 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.486 0.014 19396 1159 1 10 . 1 1 3 3 PRO C C 3 177.335 177.335 177.472 -0.137 19396 1160 1 10 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.433 0.431 19396 1161 1 10 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.549 -0.143 19396 1162 1 10 . 1 1 4 4 ARG N N 4 124.305 124.305 124.247 0.058 19396 1163 1 10 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.978 0.016 19396 1164 1 10 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.738 -0.623 19396 1165 1 10 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.813 0.485 19396 1166 1 10 . 1 1 4 4 ARG H H 4 8.721 8.721 8.799 -0.078 19396 1167 1 10 . 1 1 5 5 LYS N N 5 117.116 117.116 117.364 -0.248 19396 1168 1 10 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.151 -0.103 19396 1169 1 10 . 1 1 5 5 LYS C C 5 178.657 178.657 177.736 0.921 19396 1170 1 10 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.671 0.492 19396 1171 1 10 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.605 1.030 19396 1172 1 10 . 1 1 5 5 LYS H H 5 8.686 8.686 8.436 0.250 19396 1173 1 10 . 1 1 6 6 ILE N N 6 119.465 119.465 118.516 0.949 19396 1174 1 10 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.076 -0.069 19396 1175 1 10 . 1 1 6 6 ILE C C 6 180.162 180.162 177.983 2.179 19396 1176 1 10 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.291 -0.533 19396 1177 1 10 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.956 -1.071 19396 1178 1 10 . 1 1 6 6 ILE H H 6 7.364 7.364 7.575 -0.211 19396 1179 1 10 . 1 1 7 7 LEU N N 7 121.958 121.958 122.484 -0.526 19396 1180 1 10 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.974 0.064 19396 1181 1 10 . 1 1 7 7 LEU C C 7 179.647 179.647 178.249 1.398 19396 1182 1 10 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.779 0.266 19396 1183 1 10 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.391 0.861 19396 1184 1 10 . 1 1 7 7 LEU H H 7 8.080 8.080 8.522 -0.442 19396 1185 1 10 . 1 1 8 8 CYS N N 8 115.638 115.638 118.342 -2.704 19396 1186 1 10 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.015 0.533 19396 1187 1 10 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.233 10.909 19396 1188 1 10 . 1 1 8 8 CYS H H 8 8.730 8.730 8.114 0.616 19396 1189 1 10 . 1 1 9 9 ALA N N 9 124.009 124.009 122.753 1.256 19396 1190 1 10 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.054 0.130 19396 1191 1 10 . 1 1 9 9 ALA C C 9 180.836 180.836 179.509 1.327 19396 1192 1 10 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.136 0.341 19396 1193 1 10 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.479 -0.308 19396 1194 1 10 . 1 1 9 9 ALA H H 9 7.736 7.736 7.687 0.049 19396 1195 1 10 . 1 1 10 10 ILE N N 10 119.305 119.305 118.860 0.445 19396 1196 1 10 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.727 0.012 19396 1197 1 10 . 1 1 10 10 ILE C C 10 177.596 177.596 177.969 -0.373 19396 1198 1 10 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.592 1.942 19396 1199 1 10 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.339 1.884 19396 1200 1 10 . 1 1 10 10 ILE H H 10 8.101 8.101 7.439 0.662 19396 1201 1 10 . 1 1 11 11 ALA N N 11 121.508 121.508 123.551 -2.043 19396 1202 1 10 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.086 -0.144 19396 1203 1 10 . 1 1 11 11 ALA C C 11 179.663 179.663 179.763 -0.100 19396 1204 1 10 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.368 -0.078 19396 1205 1 10 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.500 -0.066 19396 1206 1 10 . 1 1 11 11 ALA H H 11 7.999 7.999 8.601 -0.602 19396 1207 1 10 . 1 1 12 12 LYS N N 12 115.687 115.687 116.591 -0.904 19396 1208 1 10 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.103 -0.044 19396 1209 1 10 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.767 0.421 19396 1210 1 10 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.440 0.160 19396 1211 1 10 . 1 1 12 12 LYS H H 12 8.058 8.058 7.644 0.414 19396 1212 1 10 . 1 1 13 13 LYS N N 13 120.587 120.587 119.585 1.002 19396 1213 1 10 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.159 -0.016 19396 1214 1 10 . 1 1 13 13 LYS C C 13 178.141 178.141 178.486 -0.345 19396 1215 1 10 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.511 0.174 19396 1216 1 10 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.644 -0.044 19396 1217 1 10 . 1 1 13 13 LYS H H 13 7.826 7.826 7.509 0.317 19396 1218 1 10 . 1 1 14 14 LYS N N 14 116.430 116.430 116.913 -0.483 19396 1219 1 10 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.308 -0.020 19396 1220 1 10 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.790 0.861 19396 1221 1 10 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.685 0.294 19396 1222 1 10 . 1 1 14 14 LYS H H 14 8.025 8.025 8.204 -0.179 19396 1223 1 10 . 1 1 15 15 GLY N N 15 108.661 108.661 107.627 1.034 19396 1224 1 10 . 1 1 15 15 GLY C C 15 174.966 174.966 174.009 0.957 19396 1225 1 10 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.351 1.058 19396 1226 1 10 . 1 1 15 15 GLY H H 15 7.885 7.885 7.822 0.063 19396 1227 1 10 . 1 1 16 16 LYS N N 16 117.160 117.160 120.946 -3.786 19396 1228 1 10 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.680 -0.273 19396 1229 1 10 . 1 1 16 16 LYS C C 16 175.840 175.840 174.384 1.456 19396 1230 1 10 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.492 -0.748 19396 1231 1 10 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.487 -0.590 19396 1232 1 10 . 1 1 16 16 LYS H H 16 8.299 8.299 8.090 0.209 19396 1233 1 10 . 1 1 17 17 CYS N N 17 123.378 123.378 122.869 0.509 19396 1234 1 10 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.759 -0.428 19396 1235 1 10 . 1 1 17 17 CYS C C 17 172.022 172.022 172.582 -0.560 19396 1236 1 10 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.354 -1.559 19396 1237 1 10 . 1 1 17 17 CYS CB C 17 39.930 39.930 29.041 10.889 19396 1238 1 10 . 1 1 17 17 CYS H H 17 8.691 8.691 8.680 0.011 19396 1239 1 10 . 1 1 18 18 LYS N N 18 121.370 121.370 124.580 -3.210 19396 1240 1 10 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.447 0.091 19396 1241 1 10 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.870 0.970 19396 1242 1 10 . 1 1 18 18 LYS H H 18 7.708 7.708 7.979 -0.271 19396 1243 1 10 . 1 1 19 19 GLY N N 19 111.141 111.141 109.370 1.771 19396 1244 1 10 . 1 1 19 19 GLY C C 19 174.356 174.356 173.787 0.569 19396 1245 1 10 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.273 -0.920 19396 1246 1 10 . 1 1 19 19 GLY H H 19 9.036 9.036 8.591 0.445 19396 1247 1 10 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.327 0.044 19396 1248 1 10 . 1 1 20 20 PRO C C 20 178.505 178.505 178.294 0.211 19396 1249 1 10 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.136 -0.198 19396 1250 1 10 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.773 0.483 19396 1251 1 10 . 1 1 21 21 LEU N N 21 116.727 116.727 120.074 -3.347 19396 1252 1 10 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.073 0.081 19396 1253 1 10 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.843 -0.948 19396 1254 1 10 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.737 0.235 19396 1255 1 10 . 1 1 21 21 LEU H H 21 7.625 7.625 7.934 -0.309 19396 1256 1 10 . 1 1 22 22 LYS N N 22 118.668 118.668 119.472 -0.804 19396 1257 1 10 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.030 0.033 19396 1258 1 10 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.323 0.396 19396 1259 1 10 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.224 -0.057 19396 1260 1 10 . 1 1 22 22 LYS H H 22 7.583 7.583 7.562 0.021 19396 1261 1 10 . 1 1 23 23 LEU N N 23 116.195 116.195 120.516 -4.321 19396 1262 1 10 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.120 0.150 19396 1263 1 10 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.696 -0.876 19396 1264 1 10 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.093 -0.149 19396 1265 1 10 . 1 1 23 23 LEU H H 23 7.330 7.330 7.585 -0.255 19396 1266 1 10 . 1 1 24 24 VAL N N 24 115.225 115.225 118.813 -3.588 19396 1267 1 10 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.721 0.261 19396 1268 1 10 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.663 -1.344 19396 1269 1 10 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.560 0.698 19396 1270 1 10 . 1 1 24 24 VAL H H 24 7.326 7.326 8.325 -0.999 19396 1271 1 10 . 1 1 25 25 CYS N N 25 115.376 115.376 117.909 -2.533 19396 1272 1 10 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.544 -0.483 19396 1273 1 10 . 1 1 25 25 CYS C C 25 174.297 174.297 174.369 -0.072 19396 1274 1 10 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.581 10.652 19396 1275 1 10 . 1 1 25 25 CYS H H 25 8.258 8.258 8.574 -0.316 19396 1276 1 10 . 1 1 26 26 LYS N N 26 119.613 119.613 120.905 -1.292 19396 1277 1 10 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.029 0.144 19396 1278 1 10 . 1 1 26 26 LYS C C 26 175.125 175.125 175.094 0.031 19396 1279 1 10 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.064 -0.272 19396 1280 1 10 . 1 1 26 26 LYS H H 26 7.978 7.978 7.872 0.106 19396 1281 1 11 . 1 1 2 2 LEU N N 2 122.568 122.568 123.486 -0.918 19396 1282 1 11 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.481 0.165 19396 1283 1 11 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.618 -0.214 19396 1284 1 11 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.377 0.191 19396 1285 1 11 . 1 1 2 2 LEU H H 2 8.622 8.622 8.260 0.362 19396 1286 1 11 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.597 -0.097 19396 1287 1 11 . 1 1 3 3 PRO C C 3 177.335 177.335 177.404 -0.069 19396 1288 1 11 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.131 0.733 19396 1289 1 11 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.969 -0.563 19396 1290 1 11 . 1 1 4 4 ARG N N 4 124.305 124.305 121.975 2.330 19396 1291 1 11 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.908 0.086 19396 1292 1 11 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.429 -1.314 19396 1293 1 11 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.074 0.224 19396 1294 1 11 . 1 1 4 4 ARG H H 4 8.721 8.721 8.808 -0.087 19396 1295 1 11 . 1 1 5 5 LYS N N 5 117.116 117.116 118.973 -1.857 19396 1296 1 11 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.121 -0.073 19396 1297 1 11 . 1 1 5 5 LYS C C 5 178.657 178.657 178.894 -0.237 19396 1298 1 11 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.922 0.241 19396 1299 1 11 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.951 0.684 19396 1300 1 11 . 1 1 5 5 LYS H H 5 8.686 8.686 8.195 0.491 19396 1301 1 11 . 1 1 6 6 ILE N N 6 119.465 119.465 119.837 -0.372 19396 1302 1 11 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.872 0.135 19396 1303 1 11 . 1 1 6 6 ILE C C 6 180.162 180.162 178.075 2.087 19396 1304 1 11 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.423 -0.665 19396 1305 1 11 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.140 -0.255 19396 1306 1 11 . 1 1 6 6 ILE H H 6 7.364 7.364 7.482 -0.118 19396 1307 1 11 . 1 1 7 7 LEU N N 7 121.958 121.958 121.575 0.383 19396 1308 1 11 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.966 0.072 19396 1309 1 11 . 1 1 7 7 LEU C C 7 179.647 179.647 178.482 1.165 19396 1310 1 11 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.840 0.204 19396 1311 1 11 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.496 0.756 19396 1312 1 11 . 1 1 7 7 LEU H H 7 8.080 8.080 8.429 -0.349 19396 1313 1 11 . 1 1 8 8 CYS N N 8 115.638 115.638 118.423 -2.785 19396 1314 1 11 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.018 0.530 19396 1315 1 11 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.238 10.904 19396 1316 1 11 . 1 1 8 8 CYS H H 8 8.730 8.730 8.248 0.482 19396 1317 1 11 . 1 1 9 9 ALA N N 9 124.009 124.009 122.643 1.366 19396 1318 1 11 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.064 0.120 19396 1319 1 11 . 1 1 9 9 ALA C C 9 180.836 180.836 179.547 1.289 19396 1320 1 11 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.070 0.407 19396 1321 1 11 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.482 -0.311 19396 1322 1 11 . 1 1 9 9 ALA H H 9 7.736 7.736 7.652 0.084 19396 1323 1 11 . 1 1 10 10 ILE N N 10 119.305 119.305 118.826 0.479 19396 1324 1 11 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.748 -0.009 19396 1325 1 11 . 1 1 10 10 ILE C C 10 177.596 177.596 177.936 -0.340 19396 1326 1 11 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.534 2.000 19396 1327 1 11 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.367 1.856 19396 1328 1 11 . 1 1 10 10 ILE H H 10 8.101 8.101 7.477 0.624 19396 1329 1 11 . 1 1 11 11 ALA N N 11 121.508 121.508 123.833 -2.325 19396 1330 1 11 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.103 -0.161 19396 1331 1 11 . 1 1 11 11 ALA C C 11 179.663 179.663 179.771 -0.108 19396 1332 1 11 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.363 -0.073 19396 1333 1 11 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.508 -0.074 19396 1334 1 11 . 1 1 11 11 ALA H H 11 7.999 7.999 8.596 -0.597 19396 1335 1 11 . 1 1 12 12 LYS N N 12 115.687 115.687 116.598 -0.911 19396 1336 1 11 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.101 -0.042 19396 1337 1 11 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.771 0.416 19396 1338 1 11 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.446 0.154 19396 1339 1 11 . 1 1 12 12 LYS H H 12 8.058 8.058 7.671 0.387 19396 1340 1 11 . 1 1 13 13 LYS N N 13 120.587 120.587 120.030 0.557 19396 1341 1 11 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.154 -0.011 19396 1342 1 11 . 1 1 13 13 LYS C C 13 178.141 178.141 178.395 -0.254 19396 1343 1 11 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.684 0.001 19396 1344 1 11 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.634 -0.034 19396 1345 1 11 . 1 1 13 13 LYS H H 13 7.826 7.826 7.446 0.380 19396 1346 1 11 . 1 1 14 14 LYS N N 14 116.430 116.430 116.584 -0.154 19396 1347 1 11 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.294 -0.006 19396 1348 1 11 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.921 0.730 19396 1349 1 11 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.907 0.072 19396 1350 1 11 . 1 1 14 14 LYS H H 14 8.025 8.025 8.140 -0.115 19396 1351 1 11 . 1 1 15 15 GLY N N 15 108.661 108.661 107.213 1.448 19396 1352 1 11 . 1 1 15 15 GLY C C 15 174.966 174.966 174.205 0.761 19396 1353 1 11 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.447 0.962 19396 1354 1 11 . 1 1 15 15 GLY H H 15 7.885 7.885 7.857 0.028 19396 1355 1 11 . 1 1 16 16 LYS N N 16 117.160 117.160 121.446 -4.286 19396 1356 1 11 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.716 -0.309 19396 1357 1 11 . 1 1 16 16 LYS C C 16 175.840 175.840 174.391 1.449 19396 1358 1 11 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.126 -0.382 19396 1359 1 11 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.904 -0.007 19396 1360 1 11 . 1 1 16 16 LYS H H 16 8.299 8.299 8.046 0.253 19396 1361 1 11 . 1 1 17 17 CYS N N 17 123.378 123.378 123.400 -0.022 19396 1362 1 11 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.721 -0.390 19396 1363 1 11 . 1 1 17 17 CYS C C 17 172.022 172.022 172.560 -0.538 19396 1364 1 11 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.126 -2.331 19396 1365 1 11 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.614 11.316 19396 1366 1 11 . 1 1 17 17 CYS H H 17 8.691 8.691 8.614 0.077 19396 1367 1 11 . 1 1 18 18 LYS N N 18 121.370 121.370 125.226 -3.856 19396 1368 1 11 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.454 0.084 19396 1369 1 11 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.030 1.810 19396 1370 1 11 . 1 1 18 18 LYS H H 18 7.708 7.708 7.926 -0.218 19396 1371 1 11 . 1 1 19 19 GLY N N 19 111.141 111.141 108.972 2.169 19396 1372 1 11 . 1 1 19 19 GLY C C 19 174.356 174.356 173.869 0.487 19396 1373 1 11 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.078 -0.725 19396 1374 1 11 . 1 1 19 19 GLY H H 19 9.036 9.036 8.521 0.515 19396 1375 1 11 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.356 0.015 19396 1376 1 11 . 1 1 20 20 PRO C C 20 178.505 178.505 178.208 0.297 19396 1377 1 11 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.998 -0.060 19396 1378 1 11 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.810 0.446 19396 1379 1 11 . 1 1 21 21 LEU N N 21 116.727 116.727 120.375 -3.648 19396 1380 1 11 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.061 0.093 19396 1381 1 11 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.760 -0.864 19396 1382 1 11 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.603 0.368 19396 1383 1 11 . 1 1 21 21 LEU H H 21 7.625 7.625 7.971 -0.346 19396 1384 1 11 . 1 1 22 22 LYS N N 22 118.668 118.668 119.615 -0.947 19396 1385 1 11 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.005 0.058 19396 1386 1 11 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.007 0.713 19396 1387 1 11 . 1 1 22 22 LYS CB C 22 32.167 32.167 31.687 0.480 19396 1388 1 11 . 1 1 22 22 LYS H H 22 7.583 7.583 7.535 0.048 19396 1389 1 11 . 1 1 23 23 LEU N N 23 116.195 116.195 118.079 -1.884 19396 1390 1 11 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.085 0.185 19396 1391 1 11 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.348 -0.528 19396 1392 1 11 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.130 -0.186 19396 1393 1 11 . 1 1 23 23 LEU H H 23 7.330 7.330 7.406 -0.076 19396 1394 1 11 . 1 1 24 24 VAL N N 24 115.225 115.225 116.781 -1.556 19396 1395 1 11 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.772 0.210 19396 1396 1 11 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.564 -1.245 19396 1397 1 11 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.740 1.518 19396 1398 1 11 . 1 1 24 24 VAL H H 24 7.326 7.326 8.109 -0.783 19396 1399 1 11 . 1 1 25 25 CYS N N 25 115.376 115.376 116.201 -0.825 19396 1400 1 11 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.506 -0.445 19396 1401 1 11 . 1 1 25 25 CYS C C 25 174.297 174.297 173.858 0.439 19396 1402 1 11 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.604 10.629 19396 1403 1 11 . 1 1 25 25 CYS H H 25 8.258 8.258 8.223 0.035 19396 1404 1 11 . 1 1 26 26 LYS N N 26 119.613 119.613 119.033 0.580 19396 1405 1 11 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.983 0.190 19396 1406 1 11 . 1 1 26 26 LYS C C 26 175.125 175.125 175.438 -0.313 19396 1407 1 11 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.032 -0.240 19396 1408 1 11 . 1 1 26 26 LYS H H 26 7.978 7.978 7.858 0.120 19396 1409 1 12 . 1 1 2 2 LEU N N 2 122.568 122.568 123.663 -1.095 19396 1410 1 12 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.514 0.132 19396 1411 1 12 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.653 -0.249 19396 1412 1 12 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.511 0.056 19396 1413 1 12 . 1 1 2 2 LEU H H 2 8.622 8.622 8.236 0.386 19396 1414 1 12 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.585 -0.085 19396 1415 1 12 . 1 1 3 3 PRO C C 3 177.335 177.335 177.703 -0.368 19396 1416 1 12 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.159 0.705 19396 1417 1 12 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.858 -0.452 19396 1418 1 12 . 1 1 4 4 ARG N N 4 124.305 124.305 121.071 3.234 19396 1419 1 12 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.882 0.112 19396 1420 1 12 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.426 -1.311 19396 1421 1 12 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.084 0.214 19396 1422 1 12 . 1 1 4 4 ARG H H 4 8.721 8.721 8.842 -0.121 19396 1423 1 12 . 1 1 5 5 LYS N N 5 117.116 117.116 117.499 -0.383 19396 1424 1 12 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.136 -0.088 19396 1425 1 12 . 1 1 5 5 LYS C C 5 178.657 178.657 177.455 1.202 19396 1426 1 12 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.649 0.514 19396 1427 1 12 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.623 1.012 19396 1428 1 12 . 1 1 5 5 LYS H H 5 8.686 8.686 8.422 0.264 19396 1429 1 12 . 1 1 6 6 ILE N N 6 119.465 119.465 118.746 0.719 19396 1430 1 12 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.035 -0.028 19396 1431 1 12 . 1 1 6 6 ILE C C 6 180.162 180.162 177.460 2.702 19396 1432 1 12 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.303 -0.545 19396 1433 1 12 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.215 -1.330 19396 1434 1 12 . 1 1 6 6 ILE H H 6 7.364 7.364 7.499 -0.135 19396 1435 1 12 . 1 1 7 7 LEU N N 7 121.958 121.958 121.276 0.682 19396 1436 1 12 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.856 0.182 19396 1437 1 12 . 1 1 7 7 LEU C C 7 179.647 179.647 178.771 0.876 19396 1438 1 12 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.179 -0.134 19396 1439 1 12 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.447 0.805 19396 1440 1 12 . 1 1 7 7 LEU H H 7 8.080 8.080 8.336 -0.256 19396 1441 1 12 . 1 1 8 8 CYS N N 8 115.638 115.638 118.672 -3.034 19396 1442 1 12 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.042 0.506 19396 1443 1 12 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.496 10.646 19396 1444 1 12 . 1 1 8 8 CYS H H 8 8.730 8.730 8.351 0.379 19396 1445 1 12 . 1 1 9 9 ALA N N 9 124.009 124.009 122.757 1.252 19396 1446 1 12 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.060 0.124 19396 1447 1 12 . 1 1 9 9 ALA C C 9 180.836 180.836 179.547 1.289 19396 1448 1 12 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.096 0.381 19396 1449 1 12 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.497 -0.326 19396 1450 1 12 . 1 1 9 9 ALA H H 9 7.736 7.736 7.677 0.059 19396 1451 1 12 . 1 1 10 10 ILE N N 10 119.305 119.305 118.892 0.413 19396 1452 1 12 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.727 0.012 19396 1453 1 12 . 1 1 10 10 ILE C C 10 177.596 177.596 177.990 -0.394 19396 1454 1 12 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.668 1.866 19396 1455 1 12 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.368 1.855 19396 1456 1 12 . 1 1 10 10 ILE H H 10 8.101 8.101 7.510 0.591 19396 1457 1 12 . 1 1 11 11 ALA N N 11 121.508 121.508 123.553 -2.045 19396 1458 1 12 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.112 -0.170 19396 1459 1 12 . 1 1 11 11 ALA C C 11 179.663 179.663 179.805 -0.142 19396 1460 1 12 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.334 -0.044 19396 1461 1 12 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.516 -0.082 19396 1462 1 12 . 1 1 11 11 ALA H H 11 7.999 7.999 8.636 -0.637 19396 1463 1 12 . 1 1 12 12 LYS N N 12 115.687 115.687 116.594 -0.907 19396 1464 1 12 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.114 -0.055 19396 1465 1 12 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.714 0.473 19396 1466 1 12 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.441 0.159 19396 1467 1 12 . 1 1 12 12 LYS H H 12 8.058 8.058 7.650 0.408 19396 1468 1 12 . 1 1 13 13 LYS N N 13 120.587 120.587 119.781 0.806 19396 1469 1 12 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.164 -0.021 19396 1470 1 12 . 1 1 13 13 LYS C C 13 178.141 178.141 178.327 -0.186 19396 1471 1 12 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.639 0.046 19396 1472 1 12 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.687 -0.087 19396 1473 1 12 . 1 1 13 13 LYS H H 13 7.826 7.826 7.543 0.283 19396 1474 1 12 . 1 1 14 14 LYS N N 14 116.430 116.430 116.671 -0.241 19396 1475 1 12 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.291 -0.003 19396 1476 1 12 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.913 0.738 19396 1477 1 12 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.914 0.065 19396 1478 1 12 . 1 1 14 14 LYS H H 14 8.025 8.025 8.088 -0.063 19396 1479 1 12 . 1 1 15 15 GLY N N 15 108.661 108.661 107.792 0.869 19396 1480 1 12 . 1 1 15 15 GLY C C 15 174.966 174.966 174.270 0.696 19396 1481 1 12 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.412 0.997 19396 1482 1 12 . 1 1 15 15 GLY H H 15 7.885 7.885 7.989 -0.104 19396 1483 1 12 . 1 1 16 16 LYS N N 16 117.160 117.160 121.263 -4.103 19396 1484 1 12 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.696 -0.289 19396 1485 1 12 . 1 1 16 16 LYS C C 16 175.840 175.840 174.383 1.457 19396 1486 1 12 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.131 -0.387 19396 1487 1 12 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.200 0.697 19396 1488 1 12 . 1 1 16 16 LYS H H 16 8.299 8.299 8.255 0.044 19396 1489 1 12 . 1 1 17 17 CYS N N 17 123.378 123.378 121.796 1.582 19396 1490 1 12 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.644 -0.313 19396 1491 1 12 . 1 1 17 17 CYS C C 17 172.022 172.022 172.447 -0.425 19396 1492 1 12 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.784 -1.989 19396 1493 1 12 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.355 11.575 19396 1494 1 12 . 1 1 17 17 CYS H H 17 8.691 8.691 8.436 0.255 19396 1495 1 12 . 1 1 18 18 LYS N N 18 121.370 121.370 124.493 -3.123 19396 1496 1 12 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.441 0.097 19396 1497 1 12 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.931 0.909 19396 1498 1 12 . 1 1 18 18 LYS H H 18 7.708 7.708 7.969 -0.261 19396 1499 1 12 . 1 1 19 19 GLY N N 19 111.141 111.141 109.608 1.533 19396 1500 1 12 . 1 1 19 19 GLY C C 19 174.356 174.356 173.763 0.593 19396 1501 1 12 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.413 -1.060 19396 1502 1 12 . 1 1 19 19 GLY H H 19 9.036 9.036 8.605 0.431 19396 1503 1 12 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.323 0.048 19396 1504 1 12 . 1 1 20 20 PRO C C 20 178.505 178.505 178.328 0.177 19396 1505 1 12 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.228 -0.290 19396 1506 1 12 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.742 0.514 19396 1507 1 12 . 1 1 21 21 LEU N N 21 116.727 116.727 119.960 -3.233 19396 1508 1 12 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.096 0.058 19396 1509 1 12 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.733 -0.838 19396 1510 1 12 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.722 0.250 19396 1511 1 12 . 1 1 21 21 LEU H H 21 7.625 7.625 7.928 -0.303 19396 1512 1 12 . 1 1 22 22 LYS N N 22 118.668 118.668 119.678 -1.010 19396 1513 1 12 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.036 0.027 19396 1514 1 12 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.312 0.407 19396 1515 1 12 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.254 -0.087 19396 1516 1 12 . 1 1 22 22 LYS H H 22 7.583 7.583 7.583 -0.000 19396 1517 1 12 . 1 1 23 23 LEU N N 23 116.195 116.195 119.593 -3.398 19396 1518 1 12 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.040 0.230 19396 1519 1 12 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.581 -0.761 19396 1520 1 12 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.874 0.070 19396 1521 1 12 . 1 1 23 23 LEU H H 23 7.330 7.330 7.689 -0.359 19396 1522 1 12 . 1 1 24 24 VAL N N 24 115.225 115.225 117.448 -2.223 19396 1523 1 12 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.819 0.163 19396 1524 1 12 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.913 -1.594 19396 1525 1 12 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.026 1.232 19396 1526 1 12 . 1 1 24 24 VAL H H 24 7.326 7.326 7.880 -0.554 19396 1527 1 12 . 1 1 25 25 CYS N N 25 115.376 115.376 117.931 -2.555 19396 1528 1 12 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.553 -0.492 19396 1529 1 12 . 1 1 25 25 CYS C C 25 174.297 174.297 174.044 0.253 19396 1530 1 12 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.445 10.787 19396 1531 1 12 . 1 1 25 25 CYS H H 25 8.258 8.258 8.461 -0.203 19396 1532 1 12 . 1 1 26 26 LYS N N 26 119.613 119.613 117.727 1.886 19396 1533 1 12 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.979 0.194 19396 1534 1 12 . 1 1 26 26 LYS C C 26 175.125 175.125 175.555 -0.430 19396 1535 1 12 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.952 -0.160 19396 1536 1 12 . 1 1 26 26 LYS H H 26 7.978 7.978 8.027 -0.049 19396 1537 1 13 . 1 1 2 2 LEU N N 2 122.568 122.568 123.424 -0.856 19396 1538 1 13 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.477 0.169 19396 1539 1 13 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.608 -0.204 19396 1540 1 13 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.364 0.203 19396 1541 1 13 . 1 1 2 2 LEU H H 2 8.622 8.622 8.258 0.364 19396 1542 1 13 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.578 -0.078 19396 1543 1 13 . 1 1 3 3 PRO C C 3 177.335 177.335 177.843 -0.508 19396 1544 1 13 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.305 0.559 19396 1545 1 13 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.641 -0.235 19396 1546 1 13 . 1 1 4 4 ARG N N 4 124.305 124.305 122.628 1.677 19396 1547 1 13 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.886 0.108 19396 1548 1 13 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.415 -0.300 19396 1549 1 13 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.649 0.649 19396 1550 1 13 . 1 1 4 4 ARG H H 4 8.721 8.721 8.758 -0.037 19396 1551 1 13 . 1 1 5 5 LYS N N 5 117.116 117.116 117.013 0.103 19396 1552 1 13 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.200 -0.152 19396 1553 1 13 . 1 1 5 5 LYS C C 5 178.657 178.657 177.414 1.243 19396 1554 1 13 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.509 0.654 19396 1555 1 13 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.059 0.576 19396 1556 1 13 . 1 1 5 5 LYS H H 5 8.686 8.686 8.228 0.458 19396 1557 1 13 . 1 1 6 6 ILE N N 6 119.465 119.465 118.660 0.805 19396 1558 1 13 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.072 -0.065 19396 1559 1 13 . 1 1 6 6 ILE C C 6 180.162 180.162 177.530 2.632 19396 1560 1 13 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.759 -0.001 19396 1561 1 13 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.091 -1.206 19396 1562 1 13 . 1 1 6 6 ILE H H 6 7.364 7.364 7.613 -0.249 19396 1563 1 13 . 1 1 7 7 LEU N N 7 121.958 121.958 122.843 -0.885 19396 1564 1 13 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.983 0.055 19396 1565 1 13 . 1 1 7 7 LEU C C 7 179.647 179.647 178.322 1.325 19396 1566 1 13 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.641 0.404 19396 1567 1 13 . 1 1 7 7 LEU CB C 7 42.252 42.252 40.781 1.471 19396 1568 1 13 . 1 1 7 7 LEU H H 7 8.080 8.080 8.615 -0.535 19396 1569 1 13 . 1 1 8 8 CYS N N 8 115.638 115.638 118.631 -2.993 19396 1570 1 13 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.996 0.552 19396 1571 1 13 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.279 10.863 19396 1572 1 13 . 1 1 8 8 CYS H H 8 8.730 8.730 8.070 0.659 19396 1573 1 13 . 1 1 9 9 ALA N N 9 124.009 124.009 121.892 2.117 19396 1574 1 13 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.063 0.121 19396 1575 1 13 . 1 1 9 9 ALA C C 9 180.836 180.836 179.236 1.600 19396 1576 1 13 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.060 0.417 19396 1577 1 13 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.443 -0.272 19396 1578 1 13 . 1 1 9 9 ALA H H 9 7.736 7.736 7.994 -0.258 19396 1579 1 13 . 1 1 10 10 ILE N N 10 119.305 119.305 118.939 0.366 19396 1580 1 13 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.864 -0.125 19396 1581 1 13 . 1 1 10 10 ILE C C 10 177.596 177.596 177.819 -0.223 19396 1582 1 13 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.042 2.492 19396 1583 1 13 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.561 1.662 19396 1584 1 13 . 1 1 10 10 ILE H H 10 8.101 8.101 7.549 0.552 19396 1585 1 13 . 1 1 11 11 ALA N N 11 121.508 121.508 123.296 -1.788 19396 1586 1 13 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.921 0.021 19396 1587 1 13 . 1 1 11 11 ALA C C 11 179.663 179.663 179.681 -0.018 19396 1588 1 13 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.704 -0.414 19396 1589 1 13 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.273 0.161 19396 1590 1 13 . 1 1 11 11 ALA H H 11 7.999 7.999 8.658 -0.658 19396 1591 1 13 . 1 1 12 12 LYS N N 12 115.687 115.687 116.342 -0.655 19396 1592 1 13 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.134 -0.075 19396 1593 1 13 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.630 0.557 19396 1594 1 13 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.496 0.104 19396 1595 1 13 . 1 1 12 12 LYS H H 12 8.058 8.058 8.152 -0.094 19396 1596 1 13 . 1 1 13 13 LYS N N 13 120.587 120.587 120.284 0.303 19396 1597 1 13 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.131 0.012 19396 1598 1 13 . 1 1 13 13 LYS C C 13 178.141 178.141 178.445 -0.304 19396 1599 1 13 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.697 -0.012 19396 1600 1 13 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.621 -0.021 19396 1601 1 13 . 1 1 13 13 LYS H H 13 7.826 7.826 7.520 0.306 19396 1602 1 13 . 1 1 14 14 LYS N N 14 116.430 116.430 116.374 0.056 19396 1603 1 13 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.331 -0.043 19396 1604 1 13 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.717 0.934 19396 1605 1 13 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.832 0.147 19396 1606 1 13 . 1 1 14 14 LYS H H 14 8.025 8.025 8.164 -0.139 19396 1607 1 13 . 1 1 15 15 GLY N N 15 108.661 108.661 106.786 1.875 19396 1608 1 13 . 1 1 15 15 GLY C C 15 174.966 174.966 175.049 -0.083 19396 1609 1 13 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.684 0.725 19396 1610 1 13 . 1 1 15 15 GLY H H 15 7.885 7.885 7.665 0.220 19396 1611 1 13 . 1 1 16 16 LYS N N 16 117.160 117.160 119.232 -2.072 19396 1612 1 13 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.409 -0.002 19396 1613 1 13 . 1 1 16 16 LYS C C 16 175.840 175.840 176.448 -0.608 19396 1614 1 13 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.724 -0.980 19396 1615 1 13 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.506 -0.609 19396 1616 1 13 . 1 1 16 16 LYS H H 16 8.299 8.299 8.144 0.155 19396 1617 1 13 . 1 1 17 17 CYS N N 17 123.378 123.378 121.737 1.641 19396 1618 1 13 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.241 0.090 19396 1619 1 13 . 1 1 17 17 CYS C C 17 172.022 172.022 173.720 -1.698 19396 1620 1 13 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.595 -3.800 19396 1621 1 13 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.950 14.980 19396 1622 1 13 . 1 1 17 17 CYS H H 17 8.691 8.691 7.650 1.041 19396 1623 1 13 . 1 1 18 18 LYS N N 18 121.370 121.370 127.881 -6.511 19396 1624 1 13 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.504 0.034 19396 1625 1 13 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.563 -0.723 19396 1626 1 13 . 1 1 18 18 LYS H H 18 7.708 7.708 8.211 -0.503 19396 1627 1 13 . 1 1 19 19 GLY N N 19 111.141 111.141 109.694 1.447 19396 1628 1 13 . 1 1 19 19 GLY C C 19 174.356 174.356 173.415 0.941 19396 1629 1 13 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.494 -1.141 19396 1630 1 13 . 1 1 19 19 GLY H H 19 9.036 9.036 8.408 0.628 19396 1631 1 13 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.263 0.108 19396 1632 1 13 . 1 1 20 20 PRO C C 20 178.505 178.505 178.210 0.295 19396 1633 1 13 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.615 -0.677 19396 1634 1 13 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.724 0.533 19396 1635 1 13 . 1 1 21 21 LEU N N 21 116.727 116.727 117.681 -0.954 19396 1636 1 13 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.120 0.034 19396 1637 1 13 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.514 -0.619 19396 1638 1 13 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.334 0.638 19396 1639 1 13 . 1 1 21 21 LEU H H 21 7.625 7.625 7.906 -0.281 19396 1640 1 13 . 1 1 22 22 LYS N N 22 118.668 118.668 119.530 -0.862 19396 1641 1 13 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.080 -0.017 19396 1642 1 13 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.184 0.535 19396 1643 1 13 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.380 -0.213 19396 1644 1 13 . 1 1 22 22 LYS H H 22 7.583 7.583 7.313 0.270 19396 1645 1 13 . 1 1 23 23 LEU N N 23 116.195 116.195 120.110 -3.915 19396 1646 1 13 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.033 0.237 19396 1647 1 13 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.773 -0.953 19396 1648 1 13 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.184 -0.241 19396 1649 1 13 . 1 1 23 23 LEU H H 23 7.330 7.330 7.926 -0.596 19396 1650 1 13 . 1 1 24 24 VAL N N 24 115.225 115.225 118.555 -3.330 19396 1651 1 13 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.724 0.258 19396 1652 1 13 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.519 -1.200 19396 1653 1 13 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.633 0.625 19396 1654 1 13 . 1 1 24 24 VAL H H 24 7.326 7.326 8.337 -1.011 19396 1655 1 13 . 1 1 25 25 CYS N N 25 115.376 115.376 115.944 -0.568 19396 1656 1 13 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.744 -0.683 19396 1657 1 13 . 1 1 25 25 CYS C C 25 174.297 174.297 174.183 0.114 19396 1658 1 13 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.696 10.537 19396 1659 1 13 . 1 1 25 25 CYS H H 25 8.258 8.258 8.236 0.022 19396 1660 1 13 . 1 1 26 26 LYS N N 26 119.613 119.613 118.588 1.025 19396 1661 1 13 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.988 0.185 19396 1662 1 13 . 1 1 26 26 LYS C C 26 175.125 175.125 175.785 -0.660 19396 1663 1 13 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.956 -0.164 19396 1664 1 13 . 1 1 26 26 LYS H H 26 7.978 7.978 7.895 0.083 19396 1665 1 14 . 1 1 2 2 LEU N N 2 122.568 122.568 122.037 0.531 19396 1666 1 14 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.700 -0.054 19396 1667 1 14 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.043 0.361 19396 1668 1 14 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.880 -2.313 19396 1669 1 14 . 1 1 2 2 LEU H H 2 8.622 8.622 8.179 0.443 19396 1670 1 14 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.538 -0.038 19396 1671 1 14 . 1 1 3 3 PRO C C 3 177.335 177.335 177.084 0.251 19396 1672 1 14 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.663 0.200 19396 1673 1 14 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.472 -0.066 19396 1674 1 14 . 1 1 4 4 ARG N N 4 124.305 124.305 124.275 0.030 19396 1675 1 14 . 1 1 4 4 ARG HA H 4 3.994 3.994 4.033 -0.039 19396 1676 1 14 . 1 1 4 4 ARG CA C 4 59.115 59.115 58.863 0.252 19396 1677 1 14 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.775 0.523 19396 1678 1 14 . 1 1 4 4 ARG H H 4 8.721 8.721 8.816 -0.095 19396 1679 1 14 . 1 1 5 5 LYS N N 5 117.116 117.116 119.246 -2.130 19396 1680 1 14 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.076 -0.028 19396 1681 1 14 . 1 1 5 5 LYS C C 5 178.657 178.657 178.654 0.003 19396 1682 1 14 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.495 -0.332 19396 1683 1 14 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.983 0.652 19396 1684 1 14 . 1 1 5 5 LYS H H 5 8.686 8.686 8.324 0.362 19396 1685 1 14 . 1 1 6 6 ILE N N 6 119.465 119.465 119.001 0.464 19396 1686 1 14 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.898 0.109 19396 1687 1 14 . 1 1 6 6 ILE C C 6 180.162 180.162 178.458 1.704 19396 1688 1 14 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.658 -0.900 19396 1689 1 14 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.185 -0.300 19396 1690 1 14 . 1 1 6 6 ILE H H 6 7.364 7.364 7.604 -0.240 19396 1691 1 14 . 1 1 7 7 LEU N N 7 121.958 121.958 122.140 -0.182 19396 1692 1 14 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.011 0.027 19396 1693 1 14 . 1 1 7 7 LEU C C 7 179.647 179.647 178.370 1.277 19396 1694 1 14 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.675 0.370 19396 1695 1 14 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.527 0.725 19396 1696 1 14 . 1 1 7 7 LEU H H 7 8.080 8.080 8.495 -0.415 19396 1697 1 14 . 1 1 8 8 CYS N N 8 115.638 115.638 118.381 -2.743 19396 1698 1 14 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.056 0.492 19396 1699 1 14 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.158 10.984 19396 1700 1 14 . 1 1 8 8 CYS H H 8 8.730 8.730 8.289 0.441 19396 1701 1 14 . 1 1 9 9 ALA N N 9 124.009 124.009 122.991 1.018 19396 1702 1 14 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.067 0.117 19396 1703 1 14 . 1 1 9 9 ALA C C 9 180.836 180.836 179.189 1.647 19396 1704 1 14 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.387 0.090 19396 1705 1 14 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.195 -0.024 19396 1706 1 14 . 1 1 9 9 ALA H H 9 7.736 7.736 7.790 -0.054 19396 1707 1 14 . 1 1 10 10 ILE N N 10 119.305 119.305 119.219 0.086 19396 1708 1 14 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.840 -0.101 19396 1709 1 14 . 1 1 10 10 ILE C C 10 177.596 177.596 178.044 -0.448 19396 1710 1 14 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.591 1.943 19396 1711 1 14 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.483 1.740 19396 1712 1 14 . 1 1 10 10 ILE H H 10 8.101 8.101 7.277 0.824 19396 1713 1 14 . 1 1 11 11 ALA N N 11 121.508 121.508 123.073 -1.565 19396 1714 1 14 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.924 0.018 19396 1715 1 14 . 1 1 11 11 ALA C C 11 179.663 179.663 179.720 -0.057 19396 1716 1 14 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.691 -0.401 19396 1717 1 14 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.261 0.173 19396 1718 1 14 . 1 1 11 11 ALA H H 11 7.999 7.999 8.560 -0.561 19396 1719 1 14 . 1 1 12 12 LYS N N 12 115.687 115.687 116.487 -0.800 19396 1720 1 14 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.123 -0.064 19396 1721 1 14 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.719 0.467 19396 1722 1 14 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.472 0.128 19396 1723 1 14 . 1 1 12 12 LYS H H 12 8.058 8.058 8.158 -0.100 19396 1724 1 14 . 1 1 13 13 LYS N N 13 120.587 120.587 119.961 0.626 19396 1725 1 14 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.148 -0.005 19396 1726 1 14 . 1 1 13 13 LYS C C 13 178.141 178.141 178.370 -0.229 19396 1727 1 14 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.681 0.004 19396 1728 1 14 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.669 -0.069 19396 1729 1 14 . 1 1 13 13 LYS H H 13 7.826 7.826 7.520 0.306 19396 1730 1 14 . 1 1 14 14 LYS N N 14 116.430 116.430 116.279 0.151 19396 1731 1 14 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.315 -0.027 19396 1732 1 14 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.867 0.784 19396 1733 1 14 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.046 -0.067 19396 1734 1 14 . 1 1 14 14 LYS H H 14 8.025 8.025 8.072 -0.047 19396 1735 1 14 . 1 1 15 15 GLY N N 15 108.661 108.661 107.114 1.547 19396 1736 1 14 . 1 1 15 15 GLY C C 15 174.966 174.966 174.874 0.092 19396 1737 1 14 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.554 0.855 19396 1738 1 14 . 1 1 15 15 GLY H H 15 7.885 7.885 8.028 -0.143 19396 1739 1 14 . 1 1 16 16 LYS N N 16 117.160 117.160 117.765 -0.605 19396 1740 1 14 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.476 -0.069 19396 1741 1 14 . 1 1 16 16 LYS C C 16 175.840 175.840 176.527 -0.687 19396 1742 1 14 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.371 -0.627 19396 1743 1 14 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.275 -0.378 19396 1744 1 14 . 1 1 16 16 LYS H H 16 8.299 8.299 8.192 0.107 19396 1745 1 14 . 1 1 17 17 CYS N N 17 123.378 123.378 121.616 1.762 19396 1746 1 14 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.258 0.073 19396 1747 1 14 . 1 1 17 17 CYS C C 17 172.022 172.022 173.487 -1.465 19396 1748 1 14 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.038 -3.243 19396 1749 1 14 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.010 14.920 19396 1750 1 14 . 1 1 17 17 CYS H H 17 8.691 8.691 7.682 1.009 19396 1751 1 14 . 1 1 18 18 LYS N N 18 121.370 121.370 125.823 -4.453 19396 1752 1 14 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.463 0.075 19396 1753 1 14 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.712 1.127 19396 1754 1 14 . 1 1 18 18 LYS H H 18 7.708 7.708 8.062 -0.354 19396 1755 1 14 . 1 1 19 19 GLY N N 19 111.141 111.141 109.276 1.865 19396 1756 1 14 . 1 1 19 19 GLY C C 19 174.356 174.356 173.583 0.773 19396 1757 1 14 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.168 -0.815 19396 1758 1 14 . 1 1 19 19 GLY H H 19 9.036 9.036 8.444 0.592 19396 1759 1 14 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.267 0.104 19396 1760 1 14 . 1 1 20 20 PRO C C 20 178.505 178.505 178.182 0.323 19396 1761 1 14 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.577 -0.639 19396 1762 1 14 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.735 0.521 19396 1763 1 14 . 1 1 21 21 LEU N N 21 116.727 116.727 117.681 -0.954 19396 1764 1 14 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.104 0.050 19396 1765 1 14 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.487 -0.592 19396 1766 1 14 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.313 0.659 19396 1767 1 14 . 1 1 21 21 LEU H H 21 7.625 7.625 7.905 -0.280 19396 1768 1 14 . 1 1 22 22 LYS N N 22 118.668 118.668 119.415 -0.747 19396 1769 1 14 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.053 0.010 19396 1770 1 14 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.279 0.440 19396 1771 1 14 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.273 -0.106 19396 1772 1 14 . 1 1 22 22 LYS H H 22 7.583 7.583 7.399 0.184 19396 1773 1 14 . 1 1 23 23 LEU N N 23 116.195 116.195 120.671 -4.476 19396 1774 1 14 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.102 0.168 19396 1775 1 14 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.730 -0.910 19396 1776 1 14 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.052 -0.108 19396 1777 1 14 . 1 1 23 23 LEU H H 23 7.330 7.330 7.816 -0.486 19396 1778 1 14 . 1 1 24 24 VAL N N 24 115.225 115.225 118.722 -3.497 19396 1779 1 14 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.722 0.260 19396 1780 1 14 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.714 -1.395 19396 1781 1 14 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.560 0.698 19396 1782 1 14 . 1 1 24 24 VAL H H 24 7.326 7.326 8.423 -1.097 19396 1783 1 14 . 1 1 25 25 CYS N N 25 115.376 115.376 116.210 -0.834 19396 1784 1 14 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.663 -0.602 19396 1785 1 14 . 1 1 25 25 CYS C C 25 174.297 174.297 174.452 -0.155 19396 1786 1 14 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.906 10.327 19396 1787 1 14 . 1 1 25 25 CYS H H 25 8.258 8.258 8.042 0.216 19396 1788 1 14 . 1 1 26 26 LYS N N 26 119.613 119.613 120.499 -0.886 19396 1789 1 14 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.092 0.081 19396 1790 1 14 . 1 1 26 26 LYS C C 26 175.125 175.125 175.615 -0.490 19396 1791 1 14 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.939 -0.147 19396 1792 1 14 . 1 1 26 26 LYS H H 26 7.978 7.978 8.088 -0.110 19396 1793 1 15 . 1 1 2 2 LEU N N 2 122.568 122.568 123.111 -0.543 19396 1794 1 15 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.537 0.109 19396 1795 1 15 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.721 -0.317 19396 1796 1 15 . 1 1 2 2 LEU CB C 2 42.567 42.567 41.918 0.649 19396 1797 1 15 . 1 1 2 2 LEU H H 2 8.622 8.622 8.261 0.361 19396 1798 1 15 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.639 -0.139 19396 1799 1 15 . 1 1 3 3 PRO C C 3 177.335 177.335 177.590 -0.255 19396 1800 1 15 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.036 0.828 19396 1801 1 15 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.857 -0.451 19396 1802 1 15 . 1 1 4 4 ARG N N 4 124.305 124.305 121.490 2.815 19396 1803 1 15 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.921 0.073 19396 1804 1 15 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.543 -1.428 19396 1805 1 15 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.938 0.360 19396 1806 1 15 . 1 1 4 4 ARG H H 4 8.721 8.721 8.814 -0.093 19396 1807 1 15 . 1 1 5 5 LYS N N 5 117.116 117.116 117.781 -0.665 19396 1808 1 15 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.124 -0.076 19396 1809 1 15 . 1 1 5 5 LYS C C 5 178.657 178.657 177.564 1.093 19396 1810 1 15 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.699 0.464 19396 1811 1 15 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.632 1.003 19396 1812 1 15 . 1 1 5 5 LYS H H 5 8.686 8.686 8.419 0.267 19396 1813 1 15 . 1 1 6 6 ILE N N 6 119.465 119.465 118.748 0.717 19396 1814 1 15 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.031 -0.024 19396 1815 1 15 . 1 1 6 6 ILE C C 6 180.162 180.162 177.474 2.688 19396 1816 1 15 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.270 -0.512 19396 1817 1 15 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.260 -1.375 19396 1818 1 15 . 1 1 6 6 ILE H H 6 7.364 7.364 7.550 -0.186 19396 1819 1 15 . 1 1 7 7 LEU N N 7 121.958 121.958 121.298 0.660 19396 1820 1 15 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.864 0.174 19396 1821 1 15 . 1 1 7 7 LEU C C 7 179.647 179.647 178.675 0.972 19396 1822 1 15 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.219 -0.174 19396 1823 1 15 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.463 0.789 19396 1824 1 15 . 1 1 7 7 LEU H H 7 8.080 8.080 8.312 -0.232 19396 1825 1 15 . 1 1 8 8 CYS N N 8 115.638 115.638 118.333 -2.695 19396 1826 1 15 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.069 0.479 19396 1827 1 15 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.448 10.694 19396 1828 1 15 . 1 1 8 8 CYS H H 8 8.730 8.730 8.373 0.357 19396 1829 1 15 . 1 1 9 9 ALA N N 9 124.009 124.009 123.420 0.589 19396 1830 1 15 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.004 0.180 19396 1831 1 15 . 1 1 9 9 ALA C C 9 180.836 180.836 179.452 1.384 19396 1832 1 15 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.175 0.302 19396 1833 1 15 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.373 -0.202 19396 1834 1 15 . 1 1 9 9 ALA H H 9 7.736 7.736 7.538 0.198 19396 1835 1 15 . 1 1 10 10 ILE N N 10 119.305 119.305 118.613 0.692 19396 1836 1 15 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.698 0.041 19396 1837 1 15 . 1 1 10 10 ILE C C 10 177.596 177.596 177.770 -0.174 19396 1838 1 15 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.856 -0.322 19396 1839 1 15 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.897 0.326 19396 1840 1 15 . 1 1 10 10 ILE H H 10 8.101 8.101 7.441 0.660 19396 1841 1 15 . 1 1 11 11 ALA N N 11 121.508 121.508 123.099 -1.591 19396 1842 1 15 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.108 -0.166 19396 1843 1 15 . 1 1 11 11 ALA C C 11 179.663 179.663 179.324 0.339 19396 1844 1 15 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.357 -0.067 19396 1845 1 15 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.477 -0.043 19396 1846 1 15 . 1 1 11 11 ALA H H 11 7.999 7.999 8.639 -0.640 19396 1847 1 15 . 1 1 12 12 LYS N N 12 115.687 115.687 116.746 -1.059 19396 1848 1 15 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.101 -0.042 19396 1849 1 15 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.805 0.382 19396 1850 1 15 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.484 0.116 19396 1851 1 15 . 1 1 12 12 LYS H H 12 8.058 8.058 7.585 0.473 19396 1852 1 15 . 1 1 13 13 LYS N N 13 120.587 120.587 119.932 0.655 19396 1853 1 15 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.141 0.002 19396 1854 1 15 . 1 1 13 13 LYS C C 13 178.141 178.141 178.593 -0.452 19396 1855 1 15 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.571 0.114 19396 1856 1 15 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.604 -0.004 19396 1857 1 15 . 1 1 13 13 LYS H H 13 7.826 7.826 7.552 0.274 19396 1858 1 15 . 1 1 14 14 LYS N N 14 116.430 116.430 116.785 -0.355 19396 1859 1 15 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.320 -0.032 19396 1860 1 15 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.703 0.948 19396 1861 1 15 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.648 0.331 19396 1862 1 15 . 1 1 14 14 LYS H H 14 8.025 8.025 8.223 -0.198 19396 1863 1 15 . 1 1 15 15 GLY N N 15 108.661 108.661 107.506 1.155 19396 1864 1 15 . 1 1 15 15 GLY C C 15 174.966 174.966 174.022 0.944 19396 1865 1 15 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.357 1.052 19396 1866 1 15 . 1 1 15 15 GLY H H 15 7.885 7.885 7.788 0.097 19396 1867 1 15 . 1 1 16 16 LYS N N 16 117.160 117.160 120.838 -3.678 19396 1868 1 15 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.682 -0.275 19396 1869 1 15 . 1 1 16 16 LYS C C 16 175.840 175.840 174.409 1.431 19396 1870 1 15 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.507 -0.763 19396 1871 1 15 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.619 -0.722 19396 1872 1 15 . 1 1 16 16 LYS H H 16 8.299 8.299 8.064 0.235 19396 1873 1 15 . 1 1 17 17 CYS N N 17 123.378 123.378 122.962 0.416 19396 1874 1 15 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.765 -0.434 19396 1875 1 15 . 1 1 17 17 CYS C C 17 172.022 172.022 172.671 -0.649 19396 1876 1 15 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.340 -1.546 19396 1877 1 15 . 1 1 17 17 CYS CB C 17 39.930 39.930 29.009 10.921 19396 1878 1 15 . 1 1 17 17 CYS H H 17 8.691 8.691 8.689 0.002 19396 1879 1 15 . 1 1 18 18 LYS N N 18 121.370 121.370 124.720 -3.350 19396 1880 1 15 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.456 0.082 19396 1881 1 15 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.856 0.984 19396 1882 1 15 . 1 1 18 18 LYS H H 18 7.708 7.708 7.971 -0.263 19396 1883 1 15 . 1 1 19 19 GLY N N 19 111.141 111.141 109.521 1.620 19396 1884 1 15 . 1 1 19 19 GLY C C 19 174.356 174.356 173.748 0.608 19396 1885 1 15 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.480 -1.127 19396 1886 1 15 . 1 1 19 19 GLY H H 19 9.036 9.036 8.604 0.432 19396 1887 1 15 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.324 0.047 19396 1888 1 15 . 1 1 20 20 PRO C C 20 178.505 178.505 178.330 0.175 19396 1889 1 15 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.412 -0.474 19396 1890 1 15 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.689 0.568 19396 1891 1 15 . 1 1 21 21 LEU N N 21 116.727 116.727 119.745 -3.018 19396 1892 1 15 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.107 0.047 19396 1893 1 15 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.368 -0.473 19396 1894 1 15 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.239 0.733 19396 1895 1 15 . 1 1 21 21 LEU H H 21 7.625 7.625 7.955 -0.330 19396 1896 1 15 . 1 1 22 22 LYS N N 22 118.668 118.668 119.756 -1.088 19396 1897 1 15 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.045 0.018 19396 1898 1 15 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.403 0.316 19396 1899 1 15 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.290 -0.123 19396 1900 1 15 . 1 1 22 22 LYS H H 22 7.583 7.583 7.516 0.067 19396 1901 1 15 . 1 1 23 23 LEU N N 23 116.195 116.195 120.142 -3.947 19396 1902 1 15 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.054 0.216 19396 1903 1 15 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.589 -0.769 19396 1904 1 15 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.861 0.083 19396 1905 1 15 . 1 1 23 23 LEU H H 23 7.330 7.330 7.918 -0.588 19396 1906 1 15 . 1 1 24 24 VAL N N 24 115.225 115.225 117.161 -1.936 19396 1907 1 15 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.831 0.151 19396 1908 1 15 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.265 -0.946 19396 1909 1 15 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.026 1.232 19396 1910 1 15 . 1 1 24 24 VAL H H 24 7.326 7.326 7.947 -0.621 19396 1911 1 15 . 1 1 25 25 CYS N N 25 115.376 115.376 117.539 -2.163 19396 1912 1 15 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.567 -0.506 19396 1913 1 15 . 1 1 25 25 CYS C C 25 174.297 174.297 174.061 0.236 19396 1914 1 15 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.042 10.191 19396 1915 1 15 . 1 1 25 25 CYS H H 25 8.258 8.258 8.498 -0.240 19396 1916 1 15 . 1 1 26 26 LYS N N 26 119.613 119.613 118.115 1.498 19396 1917 1 15 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.986 0.188 19396 1918 1 15 . 1 1 26 26 LYS C C 26 175.125 175.125 175.540 -0.415 19396 1919 1 15 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.966 -0.174 19396 1920 1 15 . 1 1 26 26 LYS H H 26 7.978 7.978 8.145 -0.167 19396 1921 1 16 . 1 1 2 2 LEU N N 2 122.568 122.568 123.391 -0.823 19396 1922 1 16 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.475 0.171 19396 1923 1 16 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.635 -0.231 19396 1924 1 16 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.440 0.127 19396 1925 1 16 . 1 1 2 2 LEU H H 2 8.622 8.622 8.263 0.359 19396 1926 1 16 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.598 -0.098 19396 1927 1 16 . 1 1 3 3 PRO C C 3 177.335 177.335 177.332 0.003 19396 1928 1 16 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.051 0.813 19396 1929 1 16 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.908 -0.502 19396 1930 1 16 . 1 1 4 4 ARG N N 4 124.305 124.305 121.544 2.761 19396 1931 1 16 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.900 0.094 19396 1932 1 16 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.387 -1.272 19396 1933 1 16 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.970 0.329 19396 1934 1 16 . 1 1 4 4 ARG H H 4 8.721 8.721 8.833 -0.112 19396 1935 1 16 . 1 1 5 5 LYS N N 5 117.116 117.116 119.188 -2.072 19396 1936 1 16 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.102 -0.054 19396 1937 1 16 . 1 1 5 5 LYS C C 5 178.657 178.657 177.795 0.862 19396 1938 1 16 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.838 0.325 19396 1939 1 16 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.712 0.923 19396 1940 1 16 . 1 1 5 5 LYS H H 5 8.686 8.686 8.326 0.360 19396 1941 1 16 . 1 1 6 6 ILE N N 6 119.465 119.465 116.809 2.656 19396 1942 1 16 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.061 -0.054 19396 1943 1 16 . 1 1 6 6 ILE C C 6 180.162 180.162 177.519 2.643 19396 1944 1 16 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.928 -0.170 19396 1945 1 16 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.089 -1.204 19396 1946 1 16 . 1 1 6 6 ILE H H 6 7.364 7.364 7.551 -0.187 19396 1947 1 16 . 1 1 7 7 LEU N N 7 121.958 121.958 121.788 0.170 19396 1948 1 16 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.873 0.165 19396 1949 1 16 . 1 1 7 7 LEU C C 7 179.647 179.647 178.770 0.877 19396 1950 1 16 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.428 -0.383 19396 1951 1 16 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.396 0.856 19396 1952 1 16 . 1 1 7 7 LEU H H 7 8.080 8.080 8.511 -0.431 19396 1953 1 16 . 1 1 8 8 CYS N N 8 115.638 115.638 117.937 -2.299 19396 1954 1 16 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.087 0.461 19396 1955 1 16 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.422 10.720 19396 1956 1 16 . 1 1 8 8 CYS H H 8 8.730 8.730 8.211 0.519 19396 1957 1 16 . 1 1 9 9 ALA N N 9 124.009 124.009 123.564 0.445 19396 1958 1 16 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.007 0.177 19396 1959 1 16 . 1 1 9 9 ALA C C 9 180.836 180.836 179.362 1.474 19396 1960 1 16 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.306 0.171 19396 1961 1 16 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.305 -0.134 19396 1962 1 16 . 1 1 9 9 ALA H H 9 7.736 7.736 7.670 0.066 19396 1963 1 16 . 1 1 10 10 ILE N N 10 119.305 119.305 118.861 0.444 19396 1964 1 16 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.683 0.056 19396 1965 1 16 . 1 1 10 10 ILE C C 10 177.596 177.596 178.029 -0.433 19396 1966 1 16 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.024 1.510 19396 1967 1 16 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.328 1.895 19396 1968 1 16 . 1 1 10 10 ILE H H 10 8.101 8.101 7.803 0.298 19396 1969 1 16 . 1 1 11 11 ALA N N 11 121.508 121.508 122.579 -1.071 19396 1970 1 16 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.912 0.030 19396 1971 1 16 . 1 1 11 11 ALA C C 11 179.663 179.663 179.759 -0.096 19396 1972 1 16 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.609 -0.319 19396 1973 1 16 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.211 0.223 19396 1974 1 16 . 1 1 11 11 ALA H H 11 7.999 7.999 8.363 -0.364 19396 1975 1 16 . 1 1 12 12 LYS N N 12 115.687 115.687 117.341 -1.654 19396 1976 1 16 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.053 0.006 19396 1977 1 16 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.028 0.159 19396 1978 1 16 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.462 0.138 19396 1979 1 16 . 1 1 12 12 LYS H H 12 8.058 8.058 8.127 -0.069 19396 1980 1 16 . 1 1 13 13 LYS N N 13 120.587 120.587 119.895 0.692 19396 1981 1 16 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.127 0.016 19396 1982 1 16 . 1 1 13 13 LYS C C 13 178.141 178.141 178.521 -0.380 19396 1983 1 16 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.718 -0.032 19396 1984 1 16 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.611 -0.011 19396 1985 1 16 . 1 1 13 13 LYS H H 13 7.826 7.826 7.631 0.195 19396 1986 1 16 . 1 1 14 14 LYS N N 14 116.430 116.430 116.399 0.031 19396 1987 1 16 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.299 -0.011 19396 1988 1 16 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.974 0.677 19396 1989 1 16 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.093 -0.114 19396 1990 1 16 . 1 1 14 14 LYS H H 14 8.025 8.025 8.016 0.009 19396 1991 1 16 . 1 1 15 15 GLY N N 15 108.661 108.661 107.029 1.632 19396 1992 1 16 . 1 1 15 15 GLY C C 15 174.966 174.966 174.750 0.216 19396 1993 1 16 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.607 0.802 19396 1994 1 16 . 1 1 15 15 GLY H H 15 7.885 7.885 8.308 -0.423 19396 1995 1 16 . 1 1 16 16 LYS N N 16 117.160 117.160 118.594 -1.434 19396 1996 1 16 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.620 -0.213 19396 1997 1 16 . 1 1 16 16 LYS C C 16 175.840 175.840 176.050 -0.210 19396 1998 1 16 . 1 1 16 16 LYS CA C 16 54.744 54.744 54.565 0.179 19396 1999 1 16 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.608 0.289 19396 2000 1 16 . 1 1 16 16 LYS H H 16 8.299 8.299 8.573 -0.274 19396 2001 1 16 . 1 1 17 17 CYS N N 17 123.378 123.378 122.029 1.349 19396 2002 1 16 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.249 0.082 19396 2003 1 16 . 1 1 17 17 CYS C C 17 172.022 172.022 173.366 -1.344 19396 2004 1 16 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.649 -2.854 19396 2005 1 16 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.588 15.342 19396 2006 1 16 . 1 1 17 17 CYS H H 17 8.691 8.691 7.915 0.776 19396 2007 1 16 . 1 1 18 18 LYS N N 18 121.370 121.370 126.269 -4.899 19396 2008 1 16 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.475 0.063 19396 2009 1 16 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.210 -0.370 19396 2010 1 16 . 1 1 18 18 LYS H H 18 7.708 7.708 7.874 -0.166 19396 2011 1 16 . 1 1 19 19 GLY N N 19 111.141 111.141 110.226 0.915 19396 2012 1 16 . 1 1 19 19 GLY C C 19 174.356 174.356 173.685 0.671 19396 2013 1 16 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.729 -1.376 19396 2014 1 16 . 1 1 19 19 GLY H H 19 9.036 9.036 8.518 0.518 19396 2015 1 16 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.320 0.051 19396 2016 1 16 . 1 1 20 20 PRO C C 20 178.505 178.505 178.305 0.200 19396 2017 1 16 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.416 -0.478 19396 2018 1 16 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.697 0.559 19396 2019 1 16 . 1 1 21 21 LEU N N 21 116.727 116.727 119.186 -2.459 19396 2020 1 16 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.151 0.003 19396 2021 1 16 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.277 -0.382 19396 2022 1 16 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.262 0.710 19396 2023 1 16 . 1 1 21 21 LEU H H 21 7.625 7.625 7.934 -0.309 19396 2024 1 16 . 1 1 22 22 LYS N N 22 118.668 118.668 119.703 -1.035 19396 2025 1 16 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.051 0.012 19396 2026 1 16 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.331 0.388 19396 2027 1 16 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.245 -0.078 19396 2028 1 16 . 1 1 22 22 LYS H H 22 7.583 7.583 7.310 0.273 19396 2029 1 16 . 1 1 23 23 LEU N N 23 116.195 116.195 119.766 -3.571 19396 2030 1 16 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.056 0.214 19396 2031 1 16 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.520 -0.700 19396 2032 1 16 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.877 0.067 19396 2033 1 16 . 1 1 23 23 LEU H H 23 7.330 7.330 7.679 -0.349 19396 2034 1 16 . 1 1 24 24 VAL N N 24 115.225 115.225 117.232 -2.007 19396 2035 1 16 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.722 0.260 19396 2036 1 16 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.492 -1.173 19396 2037 1 16 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.248 1.010 19396 2038 1 16 . 1 1 24 24 VAL H H 24 7.326 7.326 7.890 -0.564 19396 2039 1 16 . 1 1 25 25 CYS N N 25 115.376 115.376 115.583 -0.207 19396 2040 1 16 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.608 -0.547 19396 2041 1 16 . 1 1 25 25 CYS C C 25 174.297 174.297 174.379 -0.082 19396 2042 1 16 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.018 10.215 19396 2043 1 16 . 1 1 25 25 CYS H H 25 8.258 8.258 8.177 0.081 19396 2044 1 16 . 1 1 26 26 LYS N N 26 119.613 119.613 118.921 0.692 19396 2045 1 16 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.047 0.126 19396 2046 1 16 . 1 1 26 26 LYS C C 26 175.125 175.125 176.129 -1.004 19396 2047 1 16 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.949 -0.157 19396 2048 1 16 . 1 1 26 26 LYS H H 26 7.978 7.978 8.224 -0.246 19396 2049 1 17 . 1 1 2 2 LEU N N 2 122.568 122.568 122.492 0.076 19396 2050 1 17 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.675 -0.029 19396 2051 1 17 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.410 -0.006 19396 2052 1 17 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.259 -1.692 19396 2053 1 17 . 1 1 2 2 LEU H H 2 8.622 8.622 8.261 0.361 19396 2054 1 17 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.585 -0.085 19396 2055 1 17 . 1 1 3 3 PRO C C 3 177.335 177.335 177.757 -0.422 19396 2056 1 17 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.353 0.511 19396 2057 1 17 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.763 -0.357 19396 2058 1 17 . 1 1 4 4 ARG N N 4 124.305 124.305 121.756 2.549 19396 2059 1 17 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.903 0.091 19396 2060 1 17 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.055 -0.940 19396 2061 1 17 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.134 0.164 19396 2062 1 17 . 1 1 4 4 ARG H H 4 8.721 8.721 8.826 -0.105 19396 2063 1 17 . 1 1 5 5 LYS N N 5 117.116 117.116 116.089 1.027 19396 2064 1 17 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.138 -0.090 19396 2065 1 17 . 1 1 5 5 LYS C C 5 178.657 178.657 177.491 1.166 19396 2066 1 17 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.599 0.564 19396 2067 1 17 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.862 0.773 19396 2068 1 17 . 1 1 5 5 LYS H H 5 8.686 8.686 8.138 0.548 19396 2069 1 17 . 1 1 6 6 ILE N N 6 119.465 119.465 117.575 1.890 19396 2070 1 17 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.147 -0.140 19396 2071 1 17 . 1 1 6 6 ILE C C 6 180.162 180.162 177.900 2.262 19396 2072 1 17 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.784 -0.026 19396 2073 1 17 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.320 -1.435 19396 2074 1 17 . 1 1 6 6 ILE H H 6 7.364 7.364 7.645 -0.281 19396 2075 1 17 . 1 1 7 7 LEU N N 7 121.958 121.958 122.836 -0.878 19396 2076 1 17 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.021 0.017 19396 2077 1 17 . 1 1 7 7 LEU C C 7 179.647 179.647 178.162 1.485 19396 2078 1 17 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.577 0.468 19396 2079 1 17 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.405 0.847 19396 2080 1 17 . 1 1 7 7 LEU H H 7 8.080 8.080 8.527 -0.447 19396 2081 1 17 . 1 1 8 8 CYS N N 8 115.638 115.638 118.492 -2.854 19396 2082 1 17 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.057 0.491 19396 2083 1 17 . 1 1 8 8 CYS CB C 8 36.142 36.142 24.925 11.217 19396 2084 1 17 . 1 1 8 8 CYS H H 8 8.730 8.730 8.035 0.695 19396 2085 1 17 . 1 1 9 9 ALA N N 9 124.009 124.009 123.819 0.190 19396 2086 1 17 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.026 0.158 19396 2087 1 17 . 1 1 9 9 ALA C C 9 180.836 180.836 179.000 1.836 19396 2088 1 17 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.629 -0.152 19396 2089 1 17 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.118 0.053 19396 2090 1 17 . 1 1 9 9 ALA H H 9 7.736 7.736 8.060 -0.324 19396 2091 1 17 . 1 1 10 10 ILE N N 10 119.305 119.305 119.096 0.209 19396 2092 1 17 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.816 -0.077 19396 2093 1 17 . 1 1 10 10 ILE C C 10 177.596 177.596 178.131 -0.535 19396 2094 1 17 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.587 1.947 19396 2095 1 17 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.441 1.782 19396 2096 1 17 . 1 1 10 10 ILE H H 10 8.101 8.101 7.326 0.775 19396 2097 1 17 . 1 1 11 11 ALA N N 11 121.508 121.508 122.842 -1.334 19396 2098 1 17 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.949 -0.007 19396 2099 1 17 . 1 1 11 11 ALA C C 11 179.663 179.663 179.610 0.053 19396 2100 1 17 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.584 -0.294 19396 2101 1 17 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.220 0.214 19396 2102 1 17 . 1 1 11 11 ALA H H 11 7.999 7.999 8.581 -0.582 19396 2103 1 17 . 1 1 12 12 LYS N N 12 115.687 115.687 118.227 -2.540 19396 2104 1 17 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.096 -0.037 19396 2105 1 17 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.178 0.009 19396 2106 1 17 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.279 0.321 19396 2107 1 17 . 1 1 12 12 LYS H H 12 8.058 8.058 7.806 0.252 19396 2108 1 17 . 1 1 13 13 LYS N N 13 120.587 120.587 121.146 -0.559 19396 2109 1 17 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.062 0.081 19396 2110 1 17 . 1 1 13 13 LYS C C 13 178.141 178.141 178.343 -0.202 19396 2111 1 17 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.962 -0.277 19396 2112 1 17 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.511 0.089 19396 2113 1 17 . 1 1 13 13 LYS H H 13 7.826 7.826 7.540 0.286 19396 2114 1 17 . 1 1 14 14 LYS N N 14 116.430 116.430 115.723 0.707 19396 2115 1 17 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.373 -0.085 19396 2116 1 17 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.365 1.286 19396 2117 1 17 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.818 0.161 19396 2118 1 17 . 1 1 14 14 LYS H H 14 8.025 8.025 8.164 -0.139 19396 2119 1 17 . 1 1 15 15 GLY N N 15 108.661 108.661 107.513 1.148 19396 2120 1 17 . 1 1 15 15 GLY C C 15 174.966 174.966 175.062 -0.096 19396 2121 1 17 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.750 0.659 19396 2122 1 17 . 1 1 15 15 GLY H H 15 7.885 7.885 7.581 0.304 19396 2123 1 17 . 1 1 16 16 LYS N N 16 117.160 117.160 119.711 -2.551 19396 2124 1 17 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.473 -0.066 19396 2125 1 17 . 1 1 16 16 LYS C C 16 175.840 175.840 176.457 -0.617 19396 2126 1 17 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.593 -0.849 19396 2127 1 17 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.666 -0.769 19396 2128 1 17 . 1 1 16 16 LYS H H 16 8.299 8.299 8.289 0.010 19396 2129 1 17 . 1 1 17 17 CYS N N 17 123.378 123.378 122.516 0.862 19396 2130 1 17 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.238 0.093 19396 2131 1 17 . 1 1 17 17 CYS C C 17 172.022 172.022 173.741 -1.719 19396 2132 1 17 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.669 -3.874 19396 2133 1 17 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.093 14.837 19396 2134 1 17 . 1 1 17 17 CYS H H 17 8.691 8.691 7.684 1.006 19396 2135 1 17 . 1 1 18 18 LYS N N 18 121.370 121.370 126.588 -5.218 19396 2136 1 17 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.460 0.078 19396 2137 1 17 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.281 -0.441 19396 2138 1 17 . 1 1 18 18 LYS H H 18 7.708 7.708 8.108 -0.400 19396 2139 1 17 . 1 1 19 19 GLY N N 19 111.141 111.141 110.399 0.742 19396 2140 1 17 . 1 1 19 19 GLY C C 19 174.356 174.356 173.494 0.862 19396 2141 1 17 . 1 1 19 19 GLY CA C 19 45.353 45.353 47.423 -2.070 19396 2142 1 17 . 1 1 19 19 GLY H H 19 9.036 9.036 8.652 0.384 19396 2143 1 17 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.429 -0.058 19396 2144 1 17 . 1 1 20 20 PRO C C 20 178.505 178.505 176.858 1.647 19396 2145 1 17 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.897 0.041 19396 2146 1 17 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.694 0.562 19396 2147 1 17 . 1 1 21 21 LEU N N 21 116.727 116.727 119.351 -2.624 19396 2148 1 17 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.591 -0.437 19396 2149 1 17 . 1 1 21 21 LEU CA C 21 56.895 56.895 55.267 1.628 19396 2150 1 17 . 1 1 21 21 LEU CB C 21 41.972 41.972 42.566 -0.594 19396 2151 1 17 . 1 1 21 21 LEU H H 21 7.625 7.625 8.398 -0.773 19396 2152 1 17 . 1 1 22 22 LYS N N 22 118.668 118.668 121.448 -2.780 19396 2153 1 17 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.045 0.018 19396 2154 1 17 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.631 0.088 19396 2155 1 17 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.371 -0.204 19396 2156 1 17 . 1 1 22 22 LYS H H 22 7.583 7.583 7.640 -0.057 19396 2157 1 17 . 1 1 23 23 LEU N N 23 116.195 116.195 119.388 -3.193 19396 2158 1 17 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.146 0.124 19396 2159 1 17 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.712 -0.892 19396 2160 1 17 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.136 -0.192 19396 2161 1 17 . 1 1 23 23 LEU H H 23 7.330 7.330 8.183 -0.853 19396 2162 1 17 . 1 1 24 24 VAL N N 24 115.225 115.225 118.136 -2.911 19396 2163 1 17 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.862 0.120 19396 2164 1 17 . 1 1 24 24 VAL CA C 24 64.319 64.319 64.844 -0.524 19396 2165 1 17 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.896 0.362 19396 2166 1 17 . 1 1 24 24 VAL H H 24 7.326 7.326 7.356 -0.030 19396 2167 1 17 . 1 1 25 25 CYS N N 25 115.376 115.376 116.739 -1.363 19396 2168 1 17 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.650 -0.589 19396 2169 1 17 . 1 1 25 25 CYS C C 25 174.297 174.297 174.526 -0.229 19396 2170 1 17 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.237 9.996 19396 2171 1 17 . 1 1 25 25 CYS H H 25 8.258 8.258 8.163 0.095 19396 2172 1 17 . 1 1 26 26 LYS N N 26 119.613 119.613 121.027 -1.414 19396 2173 1 17 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.089 0.084 19396 2174 1 17 . 1 1 26 26 LYS C C 26 175.125 175.125 175.967 -0.842 19396 2175 1 17 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.913 -0.121 19396 2176 1 17 . 1 1 26 26 LYS H H 26 7.978 7.978 8.102 -0.124 19396 2177 1 18 . 1 1 2 2 LEU N N 2 122.568 122.568 122.240 0.328 19396 2178 1 18 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.601 0.045 19396 2179 1 18 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.381 0.023 19396 2180 1 18 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.336 -1.769 19396 2181 1 18 . 1 1 2 2 LEU H H 2 8.622 8.622 8.213 0.409 19396 2182 1 18 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.470 0.030 19396 2183 1 18 . 1 1 3 3 PRO C C 3 177.335 177.335 177.457 -0.122 19396 2184 1 18 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.459 0.405 19396 2185 1 18 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.536 -0.130 19396 2186 1 18 . 1 1 4 4 ARG N N 4 124.305 124.305 124.588 -0.283 19396 2187 1 18 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.974 0.020 19396 2188 1 18 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.717 -0.602 19396 2189 1 18 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.667 0.631 19396 2190 1 18 . 1 1 4 4 ARG H H 4 8.721 8.721 8.791 -0.070 19396 2191 1 18 . 1 1 5 5 LYS N N 5 117.116 117.116 116.537 0.579 19396 2192 1 18 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.141 -0.093 19396 2193 1 18 . 1 1 5 5 LYS C C 5 178.657 178.657 177.748 0.909 19396 2194 1 18 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.788 0.375 19396 2195 1 18 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.507 1.128 19396 2196 1 18 . 1 1 5 5 LYS H H 5 8.686 8.686 8.450 0.236 19396 2197 1 18 . 1 1 6 6 ILE N N 6 119.465 119.465 118.925 0.540 19396 2198 1 18 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.000 0.007 19396 2199 1 18 . 1 1 6 6 ILE C C 6 180.162 180.162 178.244 1.918 19396 2200 1 18 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.536 -0.778 19396 2201 1 18 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.725 -0.840 19396 2202 1 18 . 1 1 6 6 ILE H H 6 7.364 7.364 7.474 -0.110 19396 2203 1 18 . 1 1 7 7 LEU N N 7 121.958 121.958 123.010 -1.052 19396 2204 1 18 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.969 0.069 19396 2205 1 18 . 1 1 7 7 LEU C C 7 179.647 179.647 178.573 1.074 19396 2206 1 18 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.144 -0.099 19396 2207 1 18 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.187 1.065 19396 2208 1 18 . 1 1 7 7 LEU H H 7 8.080 8.080 8.504 -0.424 19396 2209 1 18 . 1 1 8 8 CYS N N 8 115.638 115.638 116.261 -0.623 19396 2210 1 18 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.153 0.395 19396 2211 1 18 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.367 10.775 19396 2212 1 18 . 1 1 8 8 CYS H H 8 8.730 8.730 8.590 0.140 19396 2213 1 18 . 1 1 9 9 ALA N N 9 124.009 124.009 123.321 0.688 19396 2214 1 18 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.278 -0.094 19396 2215 1 18 . 1 1 9 9 ALA C C 9 180.836 180.836 178.029 2.807 19396 2216 1 18 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.675 0.803 19396 2217 1 18 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.226 -0.055 19396 2218 1 18 . 1 1 9 9 ALA H H 9 7.736 7.736 7.757 -0.021 19396 2219 1 18 . 1 1 10 10 ILE N N 10 119.305 119.305 116.977 2.328 19396 2220 1 18 . 1 1 10 10 ILE HA H 10 3.739 3.739 4.063 -0.324 19396 2221 1 18 . 1 1 10 10 ILE C C 10 177.596 177.596 177.802 -0.206 19396 2222 1 18 . 1 1 10 10 ILE CA C 10 64.534 64.534 61.434 3.100 19396 2223 1 18 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.373 0.850 19396 2224 1 18 . 1 1 10 10 ILE H H 10 8.101 8.101 7.374 0.727 19396 2225 1 18 . 1 1 11 11 ALA N N 11 121.508 121.508 123.375 -1.867 19396 2226 1 18 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.959 -0.017 19396 2227 1 18 . 1 1 11 11 ALA C C 11 179.663 179.663 179.693 -0.030 19396 2228 1 18 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.793 -0.503 19396 2229 1 18 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.382 0.052 19396 2230 1 18 . 1 1 11 11 ALA H H 11 7.999 7.999 8.583 -0.584 19396 2231 1 18 . 1 1 12 12 LYS N N 12 115.687 115.687 116.199 -0.512 19396 2232 1 18 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.143 -0.084 19396 2233 1 18 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.556 0.631 19396 2234 1 18 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.366 0.234 19396 2235 1 18 . 1 1 12 12 LYS H H 12 8.058 8.058 7.981 0.077 19396 2236 1 18 . 1 1 13 13 LYS N N 13 120.587 120.587 119.635 0.952 19396 2237 1 18 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.168 -0.025 19396 2238 1 18 . 1 1 13 13 LYS C C 13 178.141 178.141 178.175 -0.034 19396 2239 1 18 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.664 0.021 19396 2240 1 18 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.601 -0.001 19396 2241 1 18 . 1 1 13 13 LYS H H 13 7.826 7.826 7.938 -0.112 19396 2242 1 18 . 1 1 14 14 LYS N N 14 116.430 116.430 116.411 0.019 19396 2243 1 18 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.326 -0.038 19396 2244 1 18 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.821 0.830 19396 2245 1 18 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.056 -0.077 19396 2246 1 18 . 1 1 14 14 LYS H H 14 8.025 8.025 8.079 -0.054 19396 2247 1 18 . 1 1 15 15 GLY N N 15 108.661 108.661 107.737 0.924 19396 2248 1 18 . 1 1 15 15 GLY C C 15 174.966 174.966 174.715 0.251 19396 2249 1 18 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.378 1.031 19396 2250 1 18 . 1 1 15 15 GLY H H 15 7.885 7.885 8.087 -0.202 19396 2251 1 18 . 1 1 16 16 LYS N N 16 117.160 117.160 121.167 -4.007 19396 2252 1 18 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.543 -0.136 19396 2253 1 18 . 1 1 16 16 LYS C C 16 175.840 175.840 175.248 0.592 19396 2254 1 18 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.438 -0.694 19396 2255 1 18 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.061 0.836 19396 2256 1 18 . 1 1 16 16 LYS H H 16 8.299 8.299 8.201 0.098 19396 2257 1 18 . 1 1 17 17 CYS N N 17 123.378 123.378 120.301 3.077 19396 2258 1 18 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.539 -0.208 19396 2259 1 18 . 1 1 17 17 CYS C C 17 172.022 172.022 173.121 -1.099 19396 2260 1 18 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.663 -1.868 19396 2261 1 18 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.555 12.376 19396 2262 1 18 . 1 1 17 17 CYS H H 17 8.691 8.691 7.713 0.978 19396 2263 1 18 . 1 1 18 18 LYS N N 18 121.370 121.370 125.960 -4.590 19396 2264 1 18 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.495 0.043 19396 2265 1 18 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.706 0.134 19396 2266 1 18 . 1 1 18 18 LYS H H 18 7.708 7.708 8.378 -0.670 19396 2267 1 18 . 1 1 19 19 GLY N N 19 111.141 111.141 110.452 0.689 19396 2268 1 18 . 1 1 19 19 GLY C C 19 174.356 174.356 173.708 0.648 19396 2269 1 18 . 1 1 19 19 GLY CA C 19 45.353 45.353 47.520 -2.167 19396 2270 1 18 . 1 1 19 19 GLY H H 19 9.036 9.036 8.622 0.414 19396 2271 1 18 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.441 -0.070 19396 2272 1 18 . 1 1 20 20 PRO C C 20 178.505 178.505 177.422 1.083 19396 2273 1 18 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.587 0.351 19396 2274 1 18 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.554 0.702 19396 2275 1 18 . 1 1 21 21 LEU N N 21 116.727 116.727 120.471 -3.744 19396 2276 1 18 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.540 -0.386 19396 2277 1 18 . 1 1 21 21 LEU CA C 21 56.895 56.895 56.694 0.201 19396 2278 1 18 . 1 1 21 21 LEU CB C 21 41.972 41.972 42.591 -0.619 19396 2279 1 18 . 1 1 21 21 LEU H H 21 7.625 7.625 8.621 -0.996 19396 2280 1 18 . 1 1 22 22 LYS N N 22 118.668 118.668 121.541 -2.873 19396 2281 1 18 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.027 0.036 19396 2282 1 18 . 1 1 22 22 LYS CA C 22 59.719 59.719 58.869 0.850 19396 2283 1 18 . 1 1 22 22 LYS CB C 22 32.167 32.167 31.867 0.300 19396 2284 1 18 . 1 1 22 22 LYS H H 22 7.583 7.583 7.707 -0.124 19396 2285 1 18 . 1 1 23 23 LEU N N 23 116.195 116.195 117.652 -1.457 19396 2286 1 18 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.268 0.002 19396 2287 1 18 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.151 -0.331 19396 2288 1 18 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.262 -0.318 19396 2289 1 18 . 1 1 23 23 LEU H H 23 7.330 7.330 7.949 -0.619 19396 2290 1 18 . 1 1 24 24 VAL N N 24 115.225 115.225 117.565 -2.340 19396 2291 1 18 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.975 0.007 19396 2292 1 18 . 1 1 24 24 VAL CA C 24 64.319 64.319 64.638 -0.319 19396 2293 1 18 . 1 1 24 24 VAL CB C 24 33.258 33.258 33.813 -0.555 19396 2294 1 18 . 1 1 24 24 VAL H H 24 7.326 7.326 7.852 -0.526 19396 2295 1 18 . 1 1 25 25 CYS N N 25 115.376 115.376 117.258 -1.882 19396 2296 1 18 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.712 -0.651 19396 2297 1 18 . 1 1 25 25 CYS C C 25 174.297 174.297 173.896 0.401 19396 2298 1 18 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.969 10.264 19396 2299 1 18 . 1 1 25 25 CYS H H 25 8.258 8.258 8.345 -0.087 19396 2300 1 18 . 1 1 26 26 LYS N N 26 119.613 119.613 120.897 -1.284 19396 2301 1 18 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.072 0.101 19396 2302 1 18 . 1 1 26 26 LYS C C 26 175.125 175.125 175.103 0.022 19396 2303 1 18 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.790 0.002 19396 2304 1 18 . 1 1 26 26 LYS H H 26 7.978 7.978 8.044 -0.066 19396 2305 1 19 . 1 1 2 2 LEU N N 2 122.568 122.568 123.755 -1.187 19396 2306 1 19 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.533 0.113 19396 2307 1 19 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.620 -0.216 19396 2308 1 19 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.536 0.031 19396 2309 1 19 . 1 1 2 2 LEU H H 2 8.622 8.622 8.236 0.386 19396 2310 1 19 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.595 -0.095 19396 2311 1 19 . 1 1 3 3 PRO C C 3 177.335 177.335 177.360 -0.025 19396 2312 1 19 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.106 0.758 19396 2313 1 19 . 1 1 3 3 PRO CB C 3 32.406 32.406 33.008 -0.602 19396 2314 1 19 . 1 1 4 4 ARG N N 4 124.305 124.305 122.164 2.141 19396 2315 1 19 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.928 0.066 19396 2316 1 19 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.462 -1.347 19396 2317 1 19 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.997 0.301 19396 2318 1 19 . 1 1 4 4 ARG H H 4 8.721 8.721 8.877 -0.156 19396 2319 1 19 . 1 1 5 5 LYS N N 5 117.116 117.116 118.197 -1.081 19396 2320 1 19 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.062 -0.014 19396 2321 1 19 . 1 1 5 5 LYS C C 5 178.657 178.657 178.629 0.028 19396 2322 1 19 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.110 0.053 19396 2323 1 19 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.948 0.687 19396 2324 1 19 . 1 1 5 5 LYS H H 5 8.686 8.686 8.248 0.438 19396 2325 1 19 . 1 1 6 6 ILE N N 6 119.465 119.465 118.392 1.073 19396 2326 1 19 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.997 0.010 19396 2327 1 19 . 1 1 6 6 ILE C C 6 180.162 180.162 178.070 2.092 19396 2328 1 19 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.943 -0.185 19396 2329 1 19 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.437 -0.552 19396 2330 1 19 . 1 1 6 6 ILE H H 6 7.364 7.364 7.548 -0.184 19396 2331 1 19 . 1 1 7 7 LEU N N 7 121.958 121.958 122.199 -0.241 19396 2332 1 19 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.024 0.014 19396 2333 1 19 . 1 1 7 7 LEU C C 7 179.647 179.647 178.278 1.369 19396 2334 1 19 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.459 0.585 19396 2335 1 19 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.452 0.800 19396 2336 1 19 . 1 1 7 7 LEU H H 7 8.080 8.080 8.527 -0.447 19396 2337 1 19 . 1 1 8 8 CYS N N 8 115.638 115.638 119.000 -3.362 19396 2338 1 19 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.024 0.524 19396 2339 1 19 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.349 10.793 19396 2340 1 19 . 1 1 8 8 CYS H H 8 8.730 8.730 8.174 0.556 19396 2341 1 19 . 1 1 9 9 ALA N N 9 124.009 124.009 121.156 2.853 19396 2342 1 19 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.130 0.054 19396 2343 1 19 . 1 1 9 9 ALA C C 9 180.836 180.836 178.271 2.565 19396 2344 1 19 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.461 1.016 19396 2345 1 19 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.284 -0.113 19396 2346 1 19 . 1 1 9 9 ALA H H 9 7.736 7.736 7.836 -0.100 19396 2347 1 19 . 1 1 10 10 ILE N N 10 119.305 119.305 117.260 2.045 19396 2348 1 19 . 1 1 10 10 ILE HA H 10 3.739 3.739 4.115 -0.376 19396 2349 1 19 . 1 1 10 10 ILE C C 10 177.596 177.596 177.485 0.111 19396 2350 1 19 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.757 1.777 19396 2351 1 19 . 1 1 10 10 ILE CB C 10 38.223 38.223 38.786 -0.563 19396 2352 1 19 . 1 1 10 10 ILE H H 10 8.101 8.101 7.500 0.601 19396 2353 1 19 . 1 1 11 11 ALA N N 11 121.508 121.508 124.308 -2.800 19396 2354 1 19 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.141 -0.199 19396 2355 1 19 . 1 1 11 11 ALA C C 11 179.663 179.663 178.853 0.810 19396 2356 1 19 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.582 -0.292 19396 2357 1 19 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.752 -0.318 19396 2358 1 19 . 1 1 11 11 ALA H H 11 7.999 7.999 8.696 -0.697 19396 2359 1 19 . 1 1 12 12 LYS N N 12 115.687 115.687 116.395 -0.708 19396 2360 1 19 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.173 -0.114 19396 2361 1 19 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.108 1.079 19396 2362 1 19 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.180 0.420 19396 2363 1 19 . 1 1 12 12 LYS H H 12 8.058 8.058 7.545 0.513 19396 2364 1 19 . 1 1 13 13 LYS N N 13 120.587 120.587 120.263 0.324 19396 2365 1 19 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.142 0.001 19396 2366 1 19 . 1 1 13 13 LYS C C 13 178.141 178.141 178.153 -0.012 19396 2367 1 19 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.748 -0.063 19396 2368 1 19 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.556 0.044 19396 2369 1 19 . 1 1 13 13 LYS H H 13 7.826 7.826 8.014 -0.188 19396 2370 1 19 . 1 1 14 14 LYS N N 14 116.430 116.430 115.906 0.524 19396 2371 1 19 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.343 -0.055 19396 2372 1 19 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.614 1.037 19396 2373 1 19 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.002 -0.023 19396 2374 1 19 . 1 1 14 14 LYS H H 14 8.025 8.025 8.096 -0.071 19396 2375 1 19 . 1 1 15 15 GLY N N 15 108.661 108.661 107.454 1.207 19396 2376 1 19 . 1 1 15 15 GLY C C 15 174.966 174.966 174.490 0.476 19396 2377 1 19 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.448 0.961 19396 2378 1 19 . 1 1 15 15 GLY H H 15 7.885 7.885 7.797 0.088 19396 2379 1 19 . 1 1 16 16 LYS N N 16 117.160 117.160 121.400 -4.240 19396 2380 1 19 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.682 -0.275 19396 2381 1 19 . 1 1 16 16 LYS C C 16 175.840 175.840 174.634 1.206 19396 2382 1 19 . 1 1 16 16 LYS CA C 16 54.744 54.744 54.846 -0.102 19396 2383 1 19 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.244 0.653 19396 2384 1 19 . 1 1 16 16 LYS H H 16 8.299 8.299 8.192 0.107 19396 2385 1 19 . 1 1 17 17 CYS N N 17 123.378 123.378 121.279 2.099 19396 2386 1 19 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.675 -0.344 19396 2387 1 19 . 1 1 17 17 CYS C C 17 172.022 172.022 172.845 -0.823 19396 2388 1 19 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.729 -1.934 19396 2389 1 19 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.235 11.694 19396 2390 1 19 . 1 1 17 17 CYS H H 17 8.691 8.691 8.304 0.387 19396 2391 1 19 . 1 1 18 18 LYS N N 18 121.370 121.370 125.370 -4.000 19396 2392 1 19 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.446 0.092 19396 2393 1 19 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.571 1.269 19396 2394 1 19 . 1 1 18 18 LYS H H 18 7.708 7.708 8.115 -0.407 19396 2395 1 19 . 1 1 19 19 GLY N N 19 111.141 111.141 109.404 1.737 19396 2396 1 19 . 1 1 19 19 GLY C C 19 174.356 174.356 173.772 0.584 19396 2397 1 19 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.455 -1.102 19396 2398 1 19 . 1 1 19 19 GLY H H 19 9.036 9.036 8.600 0.436 19396 2399 1 19 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.325 0.046 19396 2400 1 19 . 1 1 20 20 PRO C C 20 178.505 178.505 178.307 0.198 19396 2401 1 19 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.395 -0.457 19396 2402 1 19 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.697 0.559 19396 2403 1 19 . 1 1 21 21 LEU N N 21 116.727 116.727 119.758 -3.031 19396 2404 1 19 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.108 0.046 19396 2405 1 19 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.295 -0.400 19396 2406 1 19 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.228 0.744 19396 2407 1 19 . 1 1 21 21 LEU H H 21 7.625 7.625 7.951 -0.326 19396 2408 1 19 . 1 1 22 22 LYS N N 22 118.668 118.668 119.677 -1.009 19396 2409 1 19 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.042 0.022 19396 2410 1 19 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.367 0.352 19396 2411 1 19 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.308 -0.141 19396 2412 1 19 . 1 1 22 22 LYS H H 22 7.583 7.583 7.485 0.098 19396 2413 1 19 . 1 1 23 23 LEU N N 23 116.195 116.195 120.404 -4.209 19396 2414 1 19 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.077 0.193 19396 2415 1 19 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.917 -1.097 19396 2416 1 19 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.572 0.372 19396 2417 1 19 . 1 1 23 23 LEU H H 23 7.330 7.330 7.722 -0.392 19396 2418 1 19 . 1 1 24 24 VAL N N 24 115.225 115.225 118.967 -3.742 19396 2419 1 19 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.711 0.271 19396 2420 1 19 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.465 -1.146 19396 2421 1 19 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.460 0.798 19396 2422 1 19 . 1 1 24 24 VAL H H 24 7.326 7.326 8.356 -1.030 19396 2423 1 19 . 1 1 25 25 CYS N N 25 115.376 115.376 117.409 -2.033 19396 2424 1 19 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.592 -0.531 19396 2425 1 19 . 1 1 25 25 CYS C C 25 174.297 174.297 174.286 0.011 19396 2426 1 19 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.094 10.139 19396 2427 1 19 . 1 1 25 25 CYS H H 25 8.258 8.258 8.404 -0.146 19396 2428 1 19 . 1 1 26 26 LYS N N 26 119.613 119.613 120.831 -1.218 19396 2429 1 19 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.022 0.151 19396 2430 1 19 . 1 1 26 26 LYS C C 26 175.125 175.125 175.318 -0.193 19396 2431 1 19 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.072 -0.279 19396 2432 1 19 . 1 1 26 26 LYS H H 26 7.978 7.978 8.019 -0.041 19396 2433 1 20 . 1 1 2 2 LEU N N 2 122.568 122.568 122.386 0.182 19396 2434 1 20 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.473 0.173 19396 2435 1 20 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.515 -0.111 19396 2436 1 20 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.312 0.255 19396 2437 1 20 . 1 1 2 2 LEU H H 2 8.622 8.622 8.206 0.416 19396 2438 1 20 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.430 0.070 19396 2439 1 20 . 1 1 3 3 PRO C C 3 177.335 177.335 176.941 0.394 19396 2440 1 20 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.478 0.386 19396 2441 1 20 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.615 -0.209 19396 2442 1 20 . 1 1 4 4 ARG N N 4 124.305 124.305 125.671 -1.366 19396 2443 1 20 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.916 0.078 19396 2444 1 20 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.307 -0.192 19396 2445 1 20 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.757 0.541 19396 2446 1 20 . 1 1 4 4 ARG H H 4 8.721 8.721 8.767 -0.046 19396 2447 1 20 . 1 1 5 5 LYS N N 5 117.116 117.116 118.779 -1.663 19396 2448 1 20 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.091 -0.043 19396 2449 1 20 . 1 1 5 5 LYS C C 5 178.657 178.657 178.195 0.462 19396 2450 1 20 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.307 -0.145 19396 2451 1 20 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.186 0.449 19396 2452 1 20 . 1 1 5 5 LYS H H 5 8.686 8.686 8.227 0.459 19396 2453 1 20 . 1 1 6 6 ILE N N 6 119.465 119.465 118.198 1.267 19396 2454 1 20 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.969 0.038 19396 2455 1 20 . 1 1 6 6 ILE C C 6 180.162 180.162 177.743 2.419 19396 2456 1 20 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.639 -0.881 19396 2457 1 20 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.850 -0.965 19396 2458 1 20 . 1 1 6 6 ILE H H 6 7.364 7.364 7.588 -0.224 19396 2459 1 20 . 1 1 7 7 LEU N N 7 121.958 121.958 121.630 0.328 19396 2460 1 20 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.989 0.049 19396 2461 1 20 . 1 1 7 7 LEU C C 7 179.647 179.647 178.373 1.274 19396 2462 1 20 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.861 0.184 19396 2463 1 20 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.565 0.687 19396 2464 1 20 . 1 1 7 7 LEU H H 7 8.080 8.080 8.468 -0.388 19396 2465 1 20 . 1 1 8 8 CYS N N 8 115.638 115.638 118.127 -2.489 19396 2466 1 20 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.001 0.547 19396 2467 1 20 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.312 10.830 19396 2468 1 20 . 1 1 8 8 CYS H H 8 8.730 8.730 8.012 0.718 19396 2469 1 20 . 1 1 9 9 ALA N N 9 124.009 124.009 122.910 1.099 19396 2470 1 20 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.004 0.180 19396 2471 1 20 . 1 1 9 9 ALA C C 9 180.836 180.836 179.502 1.334 19396 2472 1 20 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.303 0.174 19396 2473 1 20 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.266 -0.095 19396 2474 1 20 . 1 1 9 9 ALA H H 9 7.736 7.736 7.655 0.081 19396 2475 1 20 . 1 1 10 10 ILE N N 10 119.305 119.305 118.189 1.116 19396 2476 1 20 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.785 -0.046 19396 2477 1 20 . 1 1 10 10 ILE C C 10 177.596 177.596 177.951 -0.355 19396 2478 1 20 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.470 2.064 19396 2479 1 20 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.350 1.873 19396 2480 1 20 . 1 1 10 10 ILE H H 10 8.101 8.101 7.429 0.672 19396 2481 1 20 . 1 1 11 11 ALA N N 11 121.508 121.508 123.169 -1.661 19396 2482 1 20 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.968 -0.026 19396 2483 1 20 . 1 1 11 11 ALA C C 11 179.663 179.663 179.902 -0.239 19396 2484 1 20 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.541 -0.251 19396 2485 1 20 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.321 0.113 19396 2486 1 20 . 1 1 11 11 ALA H H 11 7.999 7.999 8.315 -0.316 19396 2487 1 20 . 1 1 12 12 LYS N N 12 115.687 115.687 118.390 -2.703 19396 2488 1 20 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.045 0.014 19396 2489 1 20 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.774 0.413 19396 2490 1 20 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.067 0.533 19396 2491 1 20 . 1 1 12 12 LYS H H 12 8.058 8.058 8.366 -0.308 19396 2492 1 20 . 1 1 13 13 LYS N N 13 120.587 120.587 120.601 -0.014 19396 2493 1 20 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.134 0.009 19396 2494 1 20 . 1 1 13 13 LYS C C 13 178.141 178.141 178.611 -0.470 19396 2495 1 20 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.749 -0.064 19396 2496 1 20 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.488 0.112 19396 2497 1 20 . 1 1 13 13 LYS H H 13 7.826 7.826 7.526 0.300 19396 2498 1 20 . 1 1 14 14 LYS N N 14 116.430 116.430 115.975 0.455 19396 2499 1 20 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.384 -0.096 19396 2500 1 20 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.416 1.235 19396 2501 1 20 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.100 -0.121 19396 2502 1 20 . 1 1 14 14 LYS H H 14 8.025 8.025 8.100 -0.075 19396 2503 1 20 . 1 1 15 15 GLY N N 15 108.661 108.661 107.085 1.576 19396 2504 1 20 . 1 1 15 15 GLY C C 15 174.966 174.966 174.996 -0.030 19396 2505 1 20 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.737 0.672 19396 2506 1 20 . 1 1 15 15 GLY H H 15 7.885 7.885 7.690 0.195 19396 2507 1 20 . 1 1 16 16 LYS N N 16 117.160 117.160 119.078 -1.918 19396 2508 1 20 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.428 -0.021 19396 2509 1 20 . 1 1 16 16 LYS C C 16 175.840 175.840 176.317 -0.477 19396 2510 1 20 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.538 -0.794 19396 2511 1 20 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.465 -0.569 19396 2512 1 20 . 1 1 16 16 LYS H H 16 8.299 8.299 8.043 0.256 19396 2513 1 20 . 1 1 17 17 CYS N N 17 123.378 123.378 121.651 1.727 19396 2514 1 20 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.327 0.004 19396 2515 1 20 . 1 1 17 17 CYS C C 17 172.022 172.022 173.815 -1.793 19396 2516 1 20 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.138 -3.343 19396 2517 1 20 . 1 1 17 17 CYS CB C 17 39.930 39.930 26.071 13.859 19396 2518 1 20 . 1 1 17 17 CYS H H 17 8.691 8.691 7.754 0.937 19396 2519 1 20 . 1 1 18 18 LYS N N 18 121.370 121.370 126.369 -4.999 19396 2520 1 20 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.425 0.113 19396 2521 1 20 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.267 -0.426 19396 2522 1 20 . 1 1 18 18 LYS H H 18 7.708 7.708 8.238 -0.530 19396 2523 1 20 . 1 1 19 19 GLY N N 19 111.141 111.141 110.827 0.314 19396 2524 1 20 . 1 1 19 19 GLY C C 19 174.356 174.356 173.729 0.627 19396 2525 1 20 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.769 -1.416 19396 2526 1 20 . 1 1 19 19 GLY H H 19 9.036 9.036 8.593 0.443 19396 2527 1 20 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.315 0.056 19396 2528 1 20 . 1 1 20 20 PRO C C 20 178.505 178.505 178.350 0.155 19396 2529 1 20 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.243 -0.305 19396 2530 1 20 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.741 0.516 19396 2531 1 20 . 1 1 21 21 LEU N N 21 116.727 116.727 119.750 -3.023 19396 2532 1 20 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.102 0.052 19396 2533 1 20 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.763 -0.868 19396 2534 1 20 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.764 0.208 19396 2535 1 20 . 1 1 21 21 LEU H H 21 7.625 7.625 7.949 -0.324 19396 2536 1 20 . 1 1 22 22 LYS N N 22 118.668 118.668 119.910 -1.242 19396 2537 1 20 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.063 0.000 19396 2538 1 20 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.244 0.475 19396 2539 1 20 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.287 -0.120 19396 2540 1 20 . 1 1 22 22 LYS H H 22 7.583 7.583 7.532 0.051 19396 2541 1 20 . 1 1 23 23 LEU N N 23 116.195 116.195 120.201 -4.006 19396 2542 1 20 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.143 0.127 19396 2543 1 20 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.633 -0.813 19396 2544 1 20 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.458 0.486 19396 2545 1 20 . 1 1 23 23 LEU H H 23 7.330 7.330 7.679 -0.349 19396 2546 1 20 . 1 1 24 24 VAL N N 24 115.225 115.225 118.835 -3.610 19396 2547 1 20 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.773 0.209 19396 2548 1 20 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.511 -1.192 19396 2549 1 20 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.565 0.693 19396 2550 1 20 . 1 1 24 24 VAL H H 24 7.326 7.326 8.221 -0.895 19396 2551 1 20 . 1 1 25 25 CYS N N 25 115.376 115.376 116.998 -1.622 19396 2552 1 20 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.688 -0.627 19396 2553 1 20 . 1 1 25 25 CYS C C 25 174.297 174.297 173.983 0.314 19396 2554 1 20 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.161 11.072 19396 2555 1 20 . 1 1 25 25 CYS H H 25 8.258 8.258 8.334 -0.076 19396 2556 1 20 . 1 1 26 26 LYS N N 26 119.613 119.613 118.352 1.261 19396 2557 1 20 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.984 0.189 19396 2558 1 20 . 1 1 26 26 LYS C C 26 175.125 175.125 175.274 -0.149 19396 2559 1 20 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.127 -0.335 19396 2560 1 20 . 1 1 26 26 LYS H H 26 7.978 7.978 7.968 0.010 19396 2561 1 21 . 1 1 2 2 LEU N N 2 122.568 122.568 122.502 0.066 19396 2562 1 21 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.442 0.204 19396 2563 1 21 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.529 -0.125 19396 2564 1 21 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.426 0.141 19396 2565 1 21 . 1 1 2 2 LEU H H 2 8.622 8.622 8.233 0.389 19396 2566 1 21 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.482 0.018 19396 2567 1 21 . 1 1 3 3 PRO C C 3 177.335 177.335 177.354 -0.019 19396 2568 1 21 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.522 0.342 19396 2569 1 21 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.658 -0.252 19396 2570 1 21 . 1 1 4 4 ARG N N 4 124.305 124.305 123.751 0.554 19396 2571 1 21 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.902 0.092 19396 2572 1 21 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.454 -1.339 19396 2573 1 21 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.141 0.157 19396 2574 1 21 . 1 1 4 4 ARG H H 4 8.721 8.721 8.778 -0.057 19396 2575 1 21 . 1 1 5 5 LYS N N 5 117.116 117.116 118.683 -1.567 19396 2576 1 21 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.038 0.010 19396 2577 1 21 . 1 1 5 5 LYS C C 5 178.657 178.657 178.971 -0.314 19396 2578 1 21 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.617 -0.454 19396 2579 1 21 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.080 0.555 19396 2580 1 21 . 1 1 5 5 LYS H H 5 8.686 8.686 8.289 0.397 19396 2581 1 21 . 1 1 6 6 ILE N N 6 119.465 119.465 119.615 -0.150 19396 2582 1 21 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.838 0.169 19396 2583 1 21 . 1 1 6 6 ILE C C 6 180.162 180.162 177.999 2.163 19396 2584 1 21 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.922 -1.164 19396 2585 1 21 . 1 1 6 6 ILE CB C 6 37.885 37.885 37.908 -0.023 19396 2586 1 21 . 1 1 6 6 ILE H H 6 7.364 7.364 7.429 -0.065 19396 2587 1 21 . 1 1 7 7 LEU N N 7 121.958 121.958 121.266 0.692 19396 2588 1 21 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.005 0.033 19396 2589 1 21 . 1 1 7 7 LEU C C 7 179.647 179.647 178.575 1.072 19396 2590 1 21 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.712 0.333 19396 2591 1 21 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.457 0.795 19396 2592 1 21 . 1 1 7 7 LEU H H 7 8.080 8.080 8.465 -0.385 19396 2593 1 21 . 1 1 8 8 CYS N N 8 115.638 115.638 118.581 -2.943 19396 2594 1 21 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.017 0.531 19396 2595 1 21 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.303 10.839 19396 2596 1 21 . 1 1 8 8 CYS H H 8 8.730 8.730 8.323 0.407 19396 2597 1 21 . 1 1 9 9 ALA N N 9 124.009 124.009 123.502 0.507 19396 2598 1 21 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.007 0.177 19396 2599 1 21 . 1 1 9 9 ALA C C 9 180.836 180.836 179.491 1.345 19396 2600 1 21 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.290 0.187 19396 2601 1 21 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.364 -0.193 19396 2602 1 21 . 1 1 9 9 ALA H H 9 7.736 7.736 7.651 0.085 19396 2603 1 21 . 1 1 10 10 ILE N N 10 119.305 119.305 118.976 0.329 19396 2604 1 21 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.668 0.071 19396 2605 1 21 . 1 1 10 10 ILE C C 10 177.596 177.596 178.127 -0.531 19396 2606 1 21 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.203 1.331 19396 2607 1 21 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.395 1.827 19396 2608 1 21 . 1 1 10 10 ILE H H 10 8.101 8.101 7.802 0.299 19396 2609 1 21 . 1 1 11 11 ALA N N 11 121.508 121.508 122.346 -0.838 19396 2610 1 21 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.931 0.011 19396 2611 1 21 . 1 1 11 11 ALA C C 11 179.663 179.663 179.641 0.022 19396 2612 1 21 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.615 -0.325 19396 2613 1 21 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.285 0.149 19396 2614 1 21 . 1 1 11 11 ALA H H 11 7.999 7.999 8.469 -0.470 19396 2615 1 21 . 1 1 12 12 LYS N N 12 115.687 115.687 116.793 -1.106 19396 2616 1 21 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.142 -0.083 19396 2617 1 21 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.579 0.608 19396 2618 1 21 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.551 0.049 19396 2619 1 21 . 1 1 12 12 LYS H H 12 8.058 8.058 7.686 0.372 19396 2620 1 21 . 1 1 13 13 LYS N N 13 120.587 120.587 119.351 1.236 19396 2621 1 21 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.149 -0.006 19396 2622 1 21 . 1 1 13 13 LYS C C 13 178.141 178.141 178.409 -0.268 19396 2623 1 21 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.609 0.076 19396 2624 1 21 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.692 -0.092 19396 2625 1 21 . 1 1 13 13 LYS H H 13 7.826 7.826 8.027 -0.201 19396 2626 1 21 . 1 1 14 14 LYS N N 14 116.430 116.430 116.653 -0.223 19396 2627 1 21 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.333 -0.045 19396 2628 1 21 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.796 0.855 19396 2629 1 21 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.840 0.139 19396 2630 1 21 . 1 1 14 14 LYS H H 14 8.025 8.025 8.059 -0.034 19396 2631 1 21 . 1 1 15 15 GLY N N 15 108.661 108.661 107.212 1.449 19396 2632 1 21 . 1 1 15 15 GLY C C 15 174.966 174.966 174.890 0.076 19396 2633 1 21 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.611 0.798 19396 2634 1 21 . 1 1 15 15 GLY H H 15 7.885 7.885 7.643 0.242 19396 2635 1 21 . 1 1 16 16 LYS N N 16 117.160 117.160 119.273 -2.113 19396 2636 1 21 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.467 -0.060 19396 2637 1 21 . 1 1 16 16 LYS C C 16 175.840 175.840 175.795 0.045 19396 2638 1 21 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.417 -0.673 19396 2639 1 21 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.301 -0.404 19396 2640 1 21 . 1 1 16 16 LYS H H 16 8.299 8.299 8.124 0.175 19396 2641 1 21 . 1 1 17 17 CYS N N 17 123.378 123.378 120.511 2.867 19396 2642 1 21 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.393 -0.062 19396 2643 1 21 . 1 1 17 17 CYS C C 17 172.022 172.022 173.334 -1.312 19396 2644 1 21 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.361 -2.567 19396 2645 1 21 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.601 14.329 19396 2646 1 21 . 1 1 17 17 CYS H H 17 8.691 8.691 8.158 0.533 19396 2647 1 21 . 1 1 18 18 LYS N N 18 121.370 121.370 125.894 -4.524 19396 2648 1 21 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.451 0.087 19396 2649 1 21 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.480 1.360 19396 2650 1 21 . 1 1 18 18 LYS H H 18 7.708 7.708 8.216 -0.508 19396 2651 1 21 . 1 1 19 19 GLY N N 19 111.141 111.141 108.764 2.377 19396 2652 1 21 . 1 1 19 19 GLY C C 19 174.356 174.356 173.774 0.582 19396 2653 1 21 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.883 -0.530 19396 2654 1 21 . 1 1 19 19 GLY H H 19 9.036 9.036 8.491 0.545 19396 2655 1 21 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.353 0.018 19396 2656 1 21 . 1 1 20 20 PRO C C 20 178.505 178.505 178.160 0.345 19396 2657 1 21 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.072 -0.133 19396 2658 1 21 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.776 0.480 19396 2659 1 21 . 1 1 21 21 LEU N N 21 116.727 116.727 119.797 -3.070 19396 2660 1 21 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.121 0.033 19396 2661 1 21 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.274 -0.379 19396 2662 1 21 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.291 0.681 19396 2663 1 21 . 1 1 21 21 LEU H H 21 7.625 7.625 7.950 -0.325 19396 2664 1 21 . 1 1 22 22 LYS N N 22 118.668 118.668 119.142 -0.474 19396 2665 1 21 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.020 0.043 19396 2666 1 21 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.511 0.208 19396 2667 1 21 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.170 -0.003 19396 2668 1 21 . 1 1 22 22 LYS H H 22 7.583 7.583 7.442 0.141 19396 2669 1 21 . 1 1 23 23 LEU N N 23 116.195 116.195 119.635 -3.440 19396 2670 1 21 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.100 0.170 19396 2671 1 21 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.308 -0.488 19396 2672 1 21 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.061 -0.117 19396 2673 1 21 . 1 1 23 23 LEU H H 23 7.330 7.330 7.357 -0.027 19396 2674 1 21 . 1 1 24 24 VAL N N 24 115.225 115.225 117.479 -2.254 19396 2675 1 21 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.729 0.253 19396 2676 1 21 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.689 -1.370 19396 2677 1 21 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.295 0.962 19396 2678 1 21 . 1 1 24 24 VAL H H 24 7.326 7.326 8.088 -0.762 19396 2679 1 21 . 1 1 25 25 CYS N N 25 115.376 115.376 116.033 -0.657 19396 2680 1 21 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.641 -0.580 19396 2681 1 21 . 1 1 25 25 CYS C C 25 174.297 174.297 173.631 0.666 19396 2682 1 21 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.417 9.816 19396 2683 1 21 . 1 1 25 25 CYS H H 25 8.258 8.258 8.214 0.044 19396 2684 1 21 . 1 1 26 26 LYS N N 26 119.613 119.613 121.270 -1.657 19396 2685 1 21 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.027 0.146 19396 2686 1 21 . 1 1 26 26 LYS C C 26 175.125 175.125 175.062 0.063 19396 2687 1 21 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.137 -0.345 19396 2688 1 21 . 1 1 26 26 LYS H H 26 7.978 7.978 7.928 0.050 19396 2689 1 22 . 1 1 2 2 LEU N N 2 122.568 122.568 123.310 -0.742 19396 2690 1 22 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.612 0.034 19396 2691 1 22 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.462 -0.057 19396 2692 1 22 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.360 0.207 19396 2693 1 22 . 1 1 2 2 LEU H H 2 8.622 8.622 8.275 0.347 19396 2694 1 22 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.598 -0.098 19396 2695 1 22 . 1 1 3 3 PRO C C 3 177.335 177.335 177.646 -0.311 19396 2696 1 22 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.539 0.325 19396 2697 1 22 . 1 1 3 3 PRO CB C 3 32.406 32.406 33.008 -0.602 19396 2698 1 22 . 1 1 4 4 ARG N N 4 124.305 124.305 123.057 1.248 19396 2699 1 22 . 1 1 4 4 ARG HA H 4 3.994 3.994 4.063 -0.069 19396 2700 1 22 . 1 1 4 4 ARG CA C 4 59.115 59.115 58.879 0.236 19396 2701 1 22 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.505 0.793 19396 2702 1 22 . 1 1 4 4 ARG H H 4 8.721 8.721 8.860 -0.139 19396 2703 1 22 . 1 1 5 5 LYS N N 5 117.116 117.116 117.620 -0.504 19396 2704 1 22 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.123 -0.075 19396 2705 1 22 . 1 1 5 5 LYS C C 5 178.657 178.657 177.462 1.195 19396 2706 1 22 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.598 0.565 19396 2707 1 22 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.632 1.003 19396 2708 1 22 . 1 1 5 5 LYS H H 5 8.686 8.686 8.206 0.480 19396 2709 1 22 . 1 1 6 6 ILE N N 6 119.465 119.465 117.786 1.679 19396 2710 1 22 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.139 -0.132 19396 2711 1 22 . 1 1 6 6 ILE C C 6 180.162 180.162 177.914 2.248 19396 2712 1 22 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.925 -0.167 19396 2713 1 22 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.309 -1.424 19396 2714 1 22 . 1 1 6 6 ILE H H 6 7.364 7.364 7.642 -0.278 19396 2715 1 22 . 1 1 7 7 LEU N N 7 121.958 121.958 122.347 -0.389 19396 2716 1 22 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.021 0.017 19396 2717 1 22 . 1 1 7 7 LEU C C 7 179.647 179.647 178.259 1.388 19396 2718 1 22 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.594 0.451 19396 2719 1 22 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.466 0.786 19396 2720 1 22 . 1 1 7 7 LEU H H 7 8.080 8.080 8.376 -0.296 19396 2721 1 22 . 1 1 8 8 CYS N N 8 115.638 115.638 118.526 -2.888 19396 2722 1 22 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.997 0.551 19396 2723 1 22 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.326 10.816 19396 2724 1 22 . 1 1 8 8 CYS H H 8 8.730 8.730 8.131 0.599 19396 2725 1 22 . 1 1 9 9 ALA N N 9 124.009 124.009 123.377 0.632 19396 2726 1 22 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.009 0.175 19396 2727 1 22 . 1 1 9 9 ALA C C 9 180.836 180.836 179.424 1.412 19396 2728 1 22 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.399 0.078 19396 2729 1 22 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.394 -0.223 19396 2730 1 22 . 1 1 9 9 ALA H H 9 7.736 7.736 7.769 -0.033 19396 2731 1 22 . 1 1 10 10 ILE N N 10 119.305 119.305 118.764 0.541 19396 2732 1 22 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.705 0.034 19396 2733 1 22 . 1 1 10 10 ILE C C 10 177.596 177.596 178.060 -0.464 19396 2734 1 22 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.679 1.855 19396 2735 1 22 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.209 2.014 19396 2736 1 22 . 1 1 10 10 ILE H H 10 8.101 8.101 7.446 0.655 19396 2737 1 22 . 1 1 11 11 ALA N N 11 121.508 121.508 122.852 -1.344 19396 2738 1 22 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.891 0.051 19396 2739 1 22 . 1 1 11 11 ALA C C 11 179.663 179.663 179.768 -0.105 19396 2740 1 22 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.646 -0.356 19396 2741 1 22 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.144 0.290 19396 2742 1 22 . 1 1 11 11 ALA H H 11 7.999 7.999 8.617 -0.618 19396 2743 1 22 . 1 1 12 12 LYS N N 12 115.687 115.687 117.460 -1.773 19396 2744 1 22 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.115 -0.056 19396 2745 1 22 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.800 0.387 19396 2746 1 22 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.587 0.013 19396 2747 1 22 . 1 1 12 12 LYS H H 12 8.058 8.058 7.809 0.249 19396 2748 1 22 . 1 1 13 13 LYS N N 13 120.587 120.587 118.744 1.843 19396 2749 1 22 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.133 0.010 19396 2750 1 22 . 1 1 13 13 LYS C C 13 178.141 178.141 178.663 -0.522 19396 2751 1 22 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.549 0.136 19396 2752 1 22 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.685 -0.085 19396 2753 1 22 . 1 1 13 13 LYS H H 13 7.826 7.826 7.878 -0.052 19396 2754 1 22 . 1 1 14 14 LYS N N 14 116.430 116.430 116.478 -0.048 19396 2755 1 22 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.355 -0.067 19396 2756 1 22 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.482 1.169 19396 2757 1 22 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.778 0.201 19396 2758 1 22 . 1 1 14 14 LYS H H 14 8.025 8.025 8.133 -0.108 19396 2759 1 22 . 1 1 15 15 GLY N N 15 108.661 108.661 108.031 0.630 19396 2760 1 22 . 1 1 15 15 GLY C C 15 174.966 174.966 174.326 0.640 19396 2761 1 22 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.615 0.794 19396 2762 1 22 . 1 1 15 15 GLY H H 15 7.885 7.885 7.858 0.027 19396 2763 1 22 . 1 1 16 16 LYS N N 16 117.160 117.160 118.978 -1.818 19396 2764 1 22 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.495 -0.088 19396 2765 1 22 . 1 1 16 16 LYS C C 16 175.840 175.840 176.836 -0.996 19396 2766 1 22 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.486 -0.742 19396 2767 1 22 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.626 -0.729 19396 2768 1 22 . 1 1 16 16 LYS H H 16 8.299 8.299 8.225 0.074 19396 2769 1 22 . 1 1 17 17 CYS N N 17 123.378 123.378 120.899 2.479 19396 2770 1 22 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.356 -0.025 19396 2771 1 22 . 1 1 17 17 CYS C C 17 172.022 172.022 174.170 -2.148 19396 2772 1 22 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.480 -1.685 19396 2773 1 22 . 1 1 17 17 CYS CB C 17 39.930 39.930 26.501 13.429 19396 2774 1 22 . 1 1 17 17 CYS H H 17 8.691 8.691 7.624 1.067 19396 2775 1 22 . 1 1 18 18 LYS N N 18 121.370 121.370 125.697 -4.327 19396 2776 1 22 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.387 0.151 19396 2777 1 22 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.101 -0.261 19396 2778 1 22 . 1 1 18 18 LYS H H 18 7.708 7.708 8.065 -0.357 19396 2779 1 22 . 1 1 19 19 GLY N N 19 111.141 111.141 112.083 -0.942 19396 2780 1 22 . 1 1 19 19 GLY C C 19 174.356 174.356 174.153 0.203 19396 2781 1 22 . 1 1 19 19 GLY CA C 19 45.353 45.353 47.230 -1.877 19396 2782 1 22 . 1 1 19 19 GLY H H 19 9.036 9.036 8.637 0.399 19396 2783 1 22 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.322 0.049 19396 2784 1 22 . 1 1 20 20 PRO C C 20 178.505 178.505 178.432 0.073 19396 2785 1 22 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.284 -0.346 19396 2786 1 22 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.697 0.559 19396 2787 1 22 . 1 1 21 21 LEU N N 21 116.727 116.727 119.937 -3.210 19396 2788 1 22 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.105 0.049 19396 2789 1 22 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.735 -0.840 19396 2790 1 22 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.739 0.233 19396 2791 1 22 . 1 1 21 21 LEU H H 21 7.625 7.625 7.956 -0.331 19396 2792 1 22 . 1 1 22 22 LYS N N 22 118.668 118.668 119.728 -1.060 19396 2793 1 22 . 1 1 22 22 LYS HA H 22 4.063 4.063 3.953 0.110 19396 2794 1 22 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.705 0.014 19396 2795 1 22 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.285 -0.118 19396 2796 1 22 . 1 1 22 22 LYS H H 22 7.583 7.583 7.637 -0.054 19396 2797 1 22 . 1 1 23 23 LEU N N 23 116.195 116.195 120.649 -4.454 19396 2798 1 22 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.065 0.205 19396 2799 1 22 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.806 -0.987 19396 2800 1 22 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.877 0.067 19396 2801 1 22 . 1 1 23 23 LEU H H 23 7.330 7.330 7.909 -0.579 19396 2802 1 22 . 1 1 24 24 VAL N N 24 115.225 115.225 119.712 -4.487 19396 2803 1 22 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.787 0.195 19396 2804 1 22 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.926 -1.607 19396 2805 1 22 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.913 1.345 19396 2806 1 22 . 1 1 24 24 VAL H H 24 7.326 7.326 8.346 -1.020 19396 2807 1 22 . 1 1 25 25 CYS N N 25 115.376 115.376 117.682 -2.306 19396 2808 1 22 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.331 -0.270 19396 2809 1 22 . 1 1 25 25 CYS C C 25 174.297 174.297 174.285 0.012 19396 2810 1 22 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.025 11.208 19396 2811 1 22 . 1 1 25 25 CYS H H 25 8.258 8.258 8.202 0.056 19396 2812 1 22 . 1 1 26 26 LYS N N 26 119.613 119.613 117.275 2.338 19396 2813 1 22 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.977 0.196 19396 2814 1 22 . 1 1 26 26 LYS C C 26 175.125 175.125 175.689 -0.564 19396 2815 1 22 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.911 -0.119 19396 2816 1 22 . 1 1 26 26 LYS H H 26 7.978 7.978 8.211 -0.233 19396 2817 1 23 . 1 1 2 2 LEU N N 2 122.568 122.568 120.993 1.575 19396 2818 1 23 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.162 0.484 19396 2819 1 23 . 1 1 2 2 LEU CA C 2 53.404 53.404 54.233 -0.829 19396 2820 1 23 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.273 0.294 19396 2821 1 23 . 1 1 2 2 LEU H H 2 8.622 8.622 8.252 0.370 19396 2822 1 23 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.593 -0.093 19396 2823 1 23 . 1 1 3 3 PRO C C 3 177.335 177.335 178.021 -0.686 19396 2824 1 23 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.231 0.633 19396 2825 1 23 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.632 -0.226 19396 2826 1 23 . 1 1 4 4 ARG N N 4 124.305 124.305 121.739 2.566 19396 2827 1 23 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.866 0.128 19396 2828 1 23 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.456 -1.341 19396 2829 1 23 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.028 0.270 19396 2830 1 23 . 1 1 4 4 ARG H H 4 8.721 8.721 8.855 -0.134 19396 2831 1 23 . 1 1 5 5 LYS N N 5 117.116 117.116 118.676 -1.560 19396 2832 1 23 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.156 -0.108 19396 2833 1 23 . 1 1 5 5 LYS C C 5 178.657 178.657 177.229 1.428 19396 2834 1 23 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.693 0.470 19396 2835 1 23 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.869 0.766 19396 2836 1 23 . 1 1 5 5 LYS H H 5 8.686 8.686 8.444 0.242 19396 2837 1 23 . 1 1 6 6 ILE N N 6 119.465 119.465 118.801 0.664 19396 2838 1 23 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.099 -0.092 19396 2839 1 23 . 1 1 6 6 ILE C C 6 180.162 180.162 177.427 2.735 19396 2840 1 23 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.728 0.030 19396 2841 1 23 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.347 -1.462 19396 2842 1 23 . 1 1 6 6 ILE H H 6 7.364 7.364 7.741 -0.377 19396 2843 1 23 . 1 1 7 7 LEU N N 7 121.958 121.958 122.164 -0.206 19396 2844 1 23 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.961 0.077 19396 2845 1 23 . 1 1 7 7 LEU C C 7 179.647 179.647 178.553 1.094 19396 2846 1 23 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.853 0.192 19396 2847 1 23 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.217 1.035 19396 2848 1 23 . 1 1 7 7 LEU H H 7 8.080 8.080 8.476 -0.396 19396 2849 1 23 . 1 1 8 8 CYS N N 8 115.638 115.638 118.531 -2.893 19396 2850 1 23 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.976 0.572 19396 2851 1 23 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.529 10.613 19396 2852 1 23 . 1 1 8 8 CYS H H 8 8.730 8.730 8.267 0.463 19396 2853 1 23 . 1 1 9 9 ALA N N 9 124.009 124.009 122.715 1.294 19396 2854 1 23 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.036 0.148 19396 2855 1 23 . 1 1 9 9 ALA C C 9 180.836 180.836 179.621 1.215 19396 2856 1 23 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.127 0.350 19396 2857 1 23 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.431 -0.260 19396 2858 1 23 . 1 1 9 9 ALA H H 9 7.736 7.736 7.704 0.032 19396 2859 1 23 . 1 1 10 10 ILE N N 10 119.305 119.305 118.674 0.631 19396 2860 1 23 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.704 0.035 19396 2861 1 23 . 1 1 10 10 ILE C C 10 177.596 177.596 178.014 -0.418 19396 2862 1 23 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.760 1.774 19396 2863 1 23 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.325 1.897 19396 2864 1 23 . 1 1 10 10 ILE H H 10 8.101 8.101 7.488 0.613 19396 2865 1 23 . 1 1 11 11 ALA N N 11 121.508 121.508 122.413 -0.905 19396 2866 1 23 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.966 -0.024 19396 2867 1 23 . 1 1 11 11 ALA C C 11 179.663 179.663 179.258 0.405 19396 2868 1 23 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.674 -0.384 19396 2869 1 23 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.458 -0.024 19396 2870 1 23 . 1 1 11 11 ALA H H 11 7.999 7.999 8.548 -0.549 19396 2871 1 23 . 1 1 12 12 LYS N N 12 115.687 115.687 115.284 0.403 19396 2872 1 23 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.239 -0.180 19396 2873 1 23 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.113 1.074 19396 2874 1 23 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.275 0.325 19396 2875 1 23 . 1 1 12 12 LYS H H 12 8.058 8.058 7.618 0.440 19396 2876 1 23 . 1 1 13 13 LYS N N 13 120.587 120.587 120.296 0.291 19396 2877 1 23 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.190 -0.047 19396 2878 1 23 . 1 1 13 13 LYS C C 13 178.141 178.141 178.322 -0.181 19396 2879 1 23 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.481 0.204 19396 2880 1 23 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.650 -0.050 19396 2881 1 23 . 1 1 13 13 LYS H H 13 7.826 7.826 7.568 0.258 19396 2882 1 23 . 1 1 14 14 LYS N N 14 116.430 116.430 116.696 -0.266 19396 2883 1 23 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.327 -0.039 19396 2884 1 23 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.766 0.885 19396 2885 1 23 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.803 0.176 19396 2886 1 23 . 1 1 14 14 LYS H H 14 8.025 8.025 8.180 -0.155 19396 2887 1 23 . 1 1 15 15 GLY N N 15 108.661 108.661 107.520 1.141 19396 2888 1 23 . 1 1 15 15 GLY C C 15 174.966 174.966 174.505 0.461 19396 2889 1 23 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.488 0.921 19396 2890 1 23 . 1 1 15 15 GLY H H 15 7.885 7.885 7.979 -0.094 19396 2891 1 23 . 1 1 16 16 LYS N N 16 117.160 117.160 118.985 -1.825 19396 2892 1 23 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.524 -0.117 19396 2893 1 23 . 1 1 16 16 LYS C C 16 175.840 175.840 176.407 -0.567 19396 2894 1 23 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.004 -0.260 19396 2895 1 23 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.363 -0.466 19396 2896 1 23 . 1 1 16 16 LYS H H 16 8.299 8.299 8.115 0.184 19396 2897 1 23 . 1 1 17 17 CYS N N 17 123.378 123.378 121.009 2.369 19396 2898 1 23 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.349 -0.018 19396 2899 1 23 . 1 1 17 17 CYS C C 17 172.022 172.022 173.451 -1.429 19396 2900 1 23 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.632 -2.837 19396 2901 1 23 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.159 14.771 19396 2902 1 23 . 1 1 17 17 CYS H H 17 8.691 8.691 7.995 0.696 19396 2903 1 23 . 1 1 18 18 LYS N N 18 121.370 121.370 127.599 -6.229 19396 2904 1 23 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.508 0.030 19396 2905 1 23 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.455 -0.615 19396 2906 1 23 . 1 1 18 18 LYS H H 18 7.708 7.708 8.162 -0.454 19396 2907 1 23 . 1 1 19 19 GLY N N 19 111.141 111.141 109.318 1.823 19396 2908 1 23 . 1 1 19 19 GLY C C 19 174.356 174.356 173.710 0.646 19396 2909 1 23 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.208 -0.855 19396 2910 1 23 . 1 1 19 19 GLY H H 19 9.036 9.036 8.463 0.573 19396 2911 1 23 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.344 0.027 19396 2912 1 23 . 1 1 20 20 PRO C C 20 178.505 178.505 178.126 0.379 19396 2913 1 23 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.905 0.033 19396 2914 1 23 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.809 0.447 19396 2915 1 23 . 1 1 21 21 LEU N N 21 116.727 116.727 120.176 -3.449 19396 2916 1 23 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.110 0.044 19396 2917 1 23 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.615 -0.720 19396 2918 1 23 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.724 0.248 19396 2919 1 23 . 1 1 21 21 LEU H H 21 7.625 7.625 7.942 -0.317 19396 2920 1 23 . 1 1 22 22 LYS N N 22 118.668 118.668 118.836 -0.168 19396 2921 1 23 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.019 0.044 19396 2922 1 23 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.350 0.369 19396 2923 1 23 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.107 0.060 19396 2924 1 23 . 1 1 22 22 LYS H H 22 7.583 7.583 7.479 0.104 19396 2925 1 23 . 1 1 23 23 LEU N N 23 116.195 116.195 120.465 -4.270 19396 2926 1 23 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.161 0.109 19396 2927 1 23 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.654 -0.834 19396 2928 1 23 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.898 0.046 19396 2929 1 23 . 1 1 23 23 LEU H H 23 7.330 7.330 7.421 -0.091 19396 2930 1 23 . 1 1 24 24 VAL N N 24 115.225 115.225 118.618 -3.393 19396 2931 1 23 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.775 0.207 19396 2932 1 23 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.336 -1.017 19396 2933 1 23 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.952 1.306 19396 2934 1 23 . 1 1 24 24 VAL H H 24 7.326 7.326 8.358 -1.032 19396 2935 1 23 . 1 1 25 25 CYS N N 25 115.376 115.376 117.299 -1.923 19396 2936 1 23 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.541 -0.480 19396 2937 1 23 . 1 1 25 25 CYS C C 25 174.297 174.297 173.783 0.514 19396 2938 1 23 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.496 10.737 19396 2939 1 23 . 1 1 25 25 CYS H H 25 8.258 8.258 8.270 -0.012 19396 2940 1 23 . 1 1 26 26 LYS N N 26 119.613 119.613 120.766 -1.153 19396 2941 1 23 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.086 0.087 19396 2942 1 23 . 1 1 26 26 LYS C C 26 175.125 175.125 175.075 0.050 19396 2943 1 23 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.096 -0.304 19396 2944 1 23 . 1 1 26 26 LYS H H 26 7.978 7.978 7.757 0.221 19396 2945 1 24 . 1 1 2 2 LEU N N 2 122.568 122.568 123.361 -0.793 19396 2946 1 24 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.485 0.161 19396 2947 1 24 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.639 -0.235 19396 2948 1 24 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.455 0.113 19396 2949 1 24 . 1 1 2 2 LEU H H 2 8.622 8.622 8.259 0.363 19396 2950 1 24 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.605 -0.105 19396 2951 1 24 . 1 1 3 3 PRO C C 3 177.335 177.335 177.296 0.039 19396 2952 1 24 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.042 0.822 19396 2953 1 24 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.937 -0.531 19396 2954 1 24 . 1 1 4 4 ARG N N 4 124.305 124.305 121.438 2.867 19396 2955 1 24 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.928 0.066 19396 2956 1 24 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.383 -1.268 19396 2957 1 24 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.963 0.335 19396 2958 1 24 . 1 1 4 4 ARG H H 4 8.721 8.721 8.811 -0.090 19396 2959 1 24 . 1 1 5 5 LYS N N 5 117.116 117.116 117.756 -0.640 19396 2960 1 24 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.129 -0.081 19396 2961 1 24 . 1 1 5 5 LYS C C 5 178.657 178.657 177.455 1.202 19396 2962 1 24 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.676 0.487 19396 2963 1 24 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.643 0.992 19396 2964 1 24 . 1 1 5 5 LYS H H 5 8.686 8.686 8.410 0.276 19396 2965 1 24 . 1 1 6 6 ILE N N 6 119.465 119.465 118.735 0.730 19396 2966 1 24 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.053 -0.046 19396 2967 1 24 . 1 1 6 6 ILE C C 6 180.162 180.162 177.462 2.700 19396 2968 1 24 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.257 -0.499 19396 2969 1 24 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.294 -1.409 19396 2970 1 24 . 1 1 6 6 ILE H H 6 7.364 7.364 7.498 -0.134 19396 2971 1 24 . 1 1 7 7 LEU N N 7 121.958 121.958 121.200 0.758 19396 2972 1 24 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.873 0.165 19396 2973 1 24 . 1 1 7 7 LEU C C 7 179.647 179.647 178.746 0.901 19396 2974 1 24 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.062 -0.017 19396 2975 1 24 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.411 0.841 19396 2976 1 24 . 1 1 7 7 LEU H H 7 8.080 8.080 8.286 -0.206 19396 2977 1 24 . 1 1 8 8 CYS N N 8 115.638 115.638 118.987 -3.349 19396 2978 1 24 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.011 0.537 19396 2979 1 24 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.517 10.625 19396 2980 1 24 . 1 1 8 8 CYS H H 8 8.730 8.730 8.366 0.364 19396 2981 1 24 . 1 1 9 9 ALA N N 9 124.009 124.009 123.146 0.863 19396 2982 1 24 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.007 0.177 19396 2983 1 24 . 1 1 9 9 ALA C C 9 180.836 180.836 179.527 1.309 19396 2984 1 24 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.351 0.126 19396 2985 1 24 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.414 -0.243 19396 2986 1 24 . 1 1 9 9 ALA H H 9 7.736 7.736 7.692 0.044 19396 2987 1 24 . 1 1 10 10 ILE N N 10 119.305 119.305 118.828 0.477 19396 2988 1 24 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.703 0.036 19396 2989 1 24 . 1 1 10 10 ILE C C 10 177.596 177.596 178.113 -0.517 19396 2990 1 24 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.838 1.696 19396 2991 1 24 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.322 1.901 19396 2992 1 24 . 1 1 10 10 ILE H H 10 8.101 8.101 7.474 0.627 19396 2993 1 24 . 1 1 11 11 ALA N N 11 121.508 121.508 122.430 -0.922 19396 2994 1 24 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.960 -0.018 19396 2995 1 24 . 1 1 11 11 ALA C C 11 179.663 179.663 179.741 -0.078 19396 2996 1 24 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.472 -0.182 19396 2997 1 24 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.148 0.286 19396 2998 1 24 . 1 1 11 11 ALA H H 11 7.999 7.999 8.655 -0.656 19396 2999 1 24 . 1 1 12 12 LYS N N 12 115.687 115.687 117.969 -2.282 19396 3000 1 24 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.090 -0.031 19396 3001 1 24 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.573 0.614 19396 3002 1 24 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.488 0.112 19396 3003 1 24 . 1 1 12 12 LYS H H 12 8.058 8.058 7.917 0.141 19396 3004 1 24 . 1 1 13 13 LYS N N 13 120.587 120.587 118.400 2.187 19396 3005 1 24 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.209 -0.066 19396 3006 1 24 . 1 1 13 13 LYS C C 13 178.141 178.141 178.764 -0.623 19396 3007 1 24 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.449 0.236 19396 3008 1 24 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.557 0.043 19396 3009 1 24 . 1 1 13 13 LYS H H 13 7.826 7.826 7.726 0.100 19396 3010 1 24 . 1 1 14 14 LYS N N 14 116.430 116.430 116.816 -0.386 19396 3011 1 24 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.333 -0.045 19396 3012 1 24 . 1 1 14 14 LYS CA C 14 56.651 56.651 56.036 0.615 19396 3013 1 24 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.068 -0.089 19396 3014 1 24 . 1 1 14 14 LYS H H 14 8.025 8.025 8.136 -0.111 19396 3015 1 24 . 1 1 15 15 GLY N N 15 108.661 108.661 106.451 2.210 19396 3016 1 24 . 1 1 15 15 GLY C C 15 174.966 174.966 175.314 -0.348 19396 3017 1 24 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.673 0.736 19396 3018 1 24 . 1 1 15 15 GLY H H 15 7.885 7.885 8.242 -0.357 19396 3019 1 24 . 1 1 16 16 LYS N N 16 117.160 117.160 119.900 -2.740 19396 3020 1 24 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.226 0.181 19396 3021 1 24 . 1 1 16 16 LYS C C 16 175.840 175.840 176.704 -0.864 19396 3022 1 24 . 1 1 16 16 LYS CA C 16 54.744 54.744 56.504 -1.760 19396 3023 1 24 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.306 0.591 19396 3024 1 24 . 1 1 16 16 LYS H H 16 8.299 8.299 7.973 0.326 19396 3025 1 24 . 1 1 17 17 CYS N N 17 123.378 123.378 121.396 1.982 19396 3026 1 24 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.221 0.110 19396 3027 1 24 . 1 1 17 17 CYS C C 17 172.022 172.022 173.603 -1.581 19396 3028 1 24 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.547 -3.752 19396 3029 1 24 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.496 14.434 19396 3030 1 24 . 1 1 17 17 CYS H H 17 8.691 8.691 7.615 1.076 19396 3031 1 24 . 1 1 18 18 LYS N N 18 121.370 121.370 126.495 -5.125 19396 3032 1 24 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.424 0.114 19396 3033 1 24 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.859 -0.019 19396 3034 1 24 . 1 1 18 18 LYS H H 18 7.708 7.708 8.277 -0.569 19396 3035 1 24 . 1 1 19 19 GLY N N 19 111.141 111.141 110.471 0.670 19396 3036 1 24 . 1 1 19 19 GLY C C 19 174.356 174.356 173.696 0.660 19396 3037 1 24 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.381 -1.028 19396 3038 1 24 . 1 1 19 19 GLY H H 19 9.036 9.036 8.462 0.574 19396 3039 1 24 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.264 0.107 19396 3040 1 24 . 1 1 20 20 PRO C C 20 178.505 178.505 178.185 0.320 19396 3041 1 24 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.556 -0.618 19396 3042 1 24 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.735 0.521 19396 3043 1 24 . 1 1 21 21 LEU N N 21 116.727 116.727 117.926 -1.199 19396 3044 1 24 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.096 0.058 19396 3045 1 24 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.491 -0.596 19396 3046 1 24 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.308 0.664 19396 3047 1 24 . 1 1 21 21 LEU H H 21 7.625 7.625 7.926 -0.301 19396 3048 1 24 . 1 1 22 22 LYS N N 22 118.668 118.668 119.713 -1.045 19396 3049 1 24 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.057 0.006 19396 3050 1 24 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.323 0.396 19396 3051 1 24 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.238 -0.071 19396 3052 1 24 . 1 1 22 22 LYS H H 22 7.583 7.583 7.399 0.184 19396 3053 1 24 . 1 1 23 23 LEU N N 23 116.195 116.195 119.630 -3.435 19396 3054 1 24 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.049 0.221 19396 3055 1 24 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.570 -0.750 19396 3056 1 24 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.902 0.042 19396 3057 1 24 . 1 1 23 23 LEU H H 23 7.330 7.330 7.714 -0.384 19396 3058 1 24 . 1 1 24 24 VAL N N 24 115.225 115.225 117.066 -1.841 19396 3059 1 24 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.745 0.237 19396 3060 1 24 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.414 -1.095 19396 3061 1 24 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.299 0.959 19396 3062 1 24 . 1 1 24 24 VAL H H 24 7.326 7.326 7.866 -0.540 19396 3063 1 24 . 1 1 25 25 CYS N N 25 115.376 115.376 117.593 -2.217 19396 3064 1 24 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.550 -0.489 19396 3065 1 24 . 1 1 25 25 CYS C C 25 174.297 174.297 173.910 0.387 19396 3066 1 24 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.750 10.483 19396 3067 1 24 . 1 1 25 25 CYS H H 25 8.258 8.258 8.427 -0.169 19396 3068 1 24 . 1 1 26 26 LYS N N 26 119.613 119.613 118.988 0.625 19396 3069 1 24 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.979 0.194 19396 3070 1 24 . 1 1 26 26 LYS C C 26 175.125 175.125 175.488 -0.363 19396 3071 1 24 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.051 -0.259 19396 3072 1 24 . 1 1 26 26 LYS H H 26 7.978 7.978 7.957 0.021 19396 3073 1 25 . 1 1 2 2 LEU N N 2 122.568 122.568 123.512 -0.944 19396 3074 1 25 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.496 0.150 19396 3075 1 25 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.714 -0.310 19396 3076 1 25 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.293 0.274 19396 3077 1 25 . 1 1 2 2 LEU H H 2 8.622 8.622 8.257 0.365 19396 3078 1 25 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.667 -0.167 19396 3079 1 25 . 1 1 3 3 PRO C C 3 177.335 177.335 177.277 0.058 19396 3080 1 25 . 1 1 3 3 PRO CA C 3 62.864 62.864 61.861 1.003 19396 3081 1 25 . 1 1 3 3 PRO CB C 3 32.406 32.406 33.017 -0.611 19396 3082 1 25 . 1 1 4 4 ARG N N 4 124.305 124.305 120.894 3.411 19396 3083 1 25 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.908 0.086 19396 3084 1 25 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.293 -1.178 19396 3085 1 25 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.981 0.317 19396 3086 1 25 . 1 1 4 4 ARG H H 4 8.721 8.721 8.814 -0.093 19396 3087 1 25 . 1 1 5 5 LYS N N 5 117.116 117.116 119.230 -2.114 19396 3088 1 25 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.114 -0.066 19396 3089 1 25 . 1 1 5 5 LYS C C 5 178.657 178.657 177.748 0.909 19396 3090 1 25 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.735 0.428 19396 3091 1 25 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.521 1.113 19396 3092 1 25 . 1 1 5 5 LYS H H 5 8.686 8.686 8.332 0.354 19396 3093 1 25 . 1 1 6 6 ILE N N 6 119.465 119.465 117.274 2.191 19396 3094 1 25 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.102 -0.095 19396 3095 1 25 . 1 1 6 6 ILE C C 6 180.162 180.162 178.168 1.994 19396 3096 1 25 . 1 1 6 6 ILE CA C 6 62.758 62.758 61.855 0.902 19396 3097 1 25 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.096 -0.211 19396 3098 1 25 . 1 1 6 6 ILE H H 6 7.364 7.364 7.555 -0.191 19396 3099 1 25 . 1 1 7 7 LEU N N 7 121.958 121.958 122.873 -0.915 19396 3100 1 25 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.046 -0.008 19396 3101 1 25 . 1 1 7 7 LEU C C 7 179.647 179.647 178.398 1.249 19396 3102 1 25 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.628 0.417 19396 3103 1 25 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.221 1.031 19396 3104 1 25 . 1 1 7 7 LEU H H 7 8.080 8.080 8.342 -0.262 19396 3105 1 25 . 1 1 8 8 CYS N N 8 115.638 115.638 118.794 -3.156 19396 3106 1 25 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.016 0.532 19396 3107 1 25 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.209 10.933 19396 3108 1 25 . 1 1 8 8 CYS H H 8 8.730 8.730 8.196 0.534 19396 3109 1 25 . 1 1 9 9 ALA N N 9 124.009 124.009 123.483 0.526 19396 3110 1 25 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.983 0.201 19396 3111 1 25 . 1 1 9 9 ALA C C 9 180.836 180.836 179.454 1.382 19396 3112 1 25 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.331 0.146 19396 3113 1 25 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.367 -0.197 19396 3114 1 25 . 1 1 9 9 ALA H H 9 7.736 7.736 7.708 0.028 19396 3115 1 25 . 1 1 10 10 ILE N N 10 119.305 119.305 118.585 0.720 19396 3116 1 25 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.701 0.038 19396 3117 1 25 . 1 1 10 10 ILE C C 10 177.596 177.596 177.837 -0.241 19396 3118 1 25 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.839 -0.305 19396 3119 1 25 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.815 0.408 19396 3120 1 25 . 1 1 10 10 ILE H H 10 8.101 8.101 7.386 0.715 19396 3121 1 25 . 1 1 11 11 ALA N N 11 121.508 121.508 122.340 -0.832 19396 3122 1 25 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.955 -0.013 19396 3123 1 25 . 1 1 11 11 ALA C C 11 179.663 179.663 179.416 0.247 19396 3124 1 25 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.531 -0.241 19396 3125 1 25 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.161 0.273 19396 3126 1 25 . 1 1 11 11 ALA H H 11 7.999 7.999 8.626 -0.627 19396 3127 1 25 . 1 1 12 12 LYS N N 12 115.687 115.687 116.699 -1.012 19396 3128 1 25 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.181 -0.121 19396 3129 1 25 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.360 0.827 19396 3130 1 25 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.574 0.026 19396 3131 1 25 . 1 1 12 12 LYS H H 12 8.058 8.058 7.525 0.533 19396 3132 1 25 . 1 1 13 13 LYS N N 13 120.587 120.587 119.607 0.980 19396 3133 1 25 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.132 0.011 19396 3134 1 25 . 1 1 13 13 LYS C C 13 178.141 178.141 178.481 -0.340 19396 3135 1 25 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.664 0.021 19396 3136 1 25 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.681 -0.081 19396 3137 1 25 . 1 1 13 13 LYS H H 13 7.826 7.826 7.868 -0.042 19396 3138 1 25 . 1 1 14 14 LYS N N 14 116.430 116.430 116.847 -0.417 19396 3139 1 25 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.355 -0.067 19396 3140 1 25 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.762 0.889 19396 3141 1 25 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.766 0.213 19396 3142 1 25 . 1 1 14 14 LYS H H 14 8.025 8.025 8.182 -0.157 19396 3143 1 25 . 1 1 15 15 GLY N N 15 108.661 108.661 106.863 1.798 19396 3144 1 25 . 1 1 15 15 GLY C C 15 174.966 174.966 175.076 -0.110 19396 3145 1 25 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.718 0.691 19396 3146 1 25 . 1 1 15 15 GLY H H 15 7.885 7.885 7.701 0.184 19396 3147 1 25 . 1 1 16 16 LYS N N 16 117.160 117.160 119.396 -2.236 19396 3148 1 25 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.389 0.018 19396 3149 1 25 . 1 1 16 16 LYS C C 16 175.840 175.840 176.637 -0.797 19396 3150 1 25 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.996 -1.252 19396 3151 1 25 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.343 -0.446 19396 3152 1 25 . 1 1 16 16 LYS H H 16 8.299 8.299 7.932 0.367 19396 3153 1 25 . 1 1 17 17 CYS N N 17 123.378 123.378 121.477 1.901 19396 3154 1 25 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.283 0.048 19396 3155 1 25 . 1 1 17 17 CYS C C 17 172.022 172.022 173.680 -1.658 19396 3156 1 25 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.543 -3.748 19396 3157 1 25 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.637 14.293 19396 3158 1 25 . 1 1 17 17 CYS H H 17 8.691 8.691 7.586 1.105 19396 3159 1 25 . 1 1 18 18 LYS N N 18 121.370 121.370 126.713 -5.343 19396 3160 1 25 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.424 0.114 19396 3161 1 25 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.102 -0.263 19396 3162 1 25 . 1 1 18 18 LYS H H 18 7.708 7.708 8.108 -0.400 19396 3163 1 25 . 1 1 19 19 GLY N N 19 111.141 111.141 110.548 0.593 19396 3164 1 25 . 1 1 19 19 GLY C C 19 174.356 174.356 173.638 0.718 19396 3165 1 25 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.735 -1.382 19396 3166 1 25 . 1 1 19 19 GLY H H 19 9.036 9.036 8.579 0.457 19396 3167 1 25 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.324 0.047 19396 3168 1 25 . 1 1 20 20 PRO C C 20 178.505 178.505 178.329 0.176 19396 3169 1 25 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.412 -0.474 19396 3170 1 25 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.684 0.572 19396 3171 1 25 . 1 1 21 21 LEU N N 21 116.727 116.727 119.641 -2.914 19396 3172 1 25 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.127 0.027 19396 3173 1 25 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.312 -0.417 19396 3174 1 25 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.263 0.709 19396 3175 1 25 . 1 1 21 21 LEU H H 21 7.625 7.625 7.973 -0.348 19396 3176 1 25 . 1 1 22 22 LYS N N 22 118.668 118.668 120.011 -1.343 19396 3177 1 25 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.069 -0.006 19396 3178 1 25 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.362 0.357 19396 3179 1 25 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.315 -0.148 19396 3180 1 25 . 1 1 22 22 LYS H H 22 7.583 7.583 7.461 0.122 19396 3181 1 25 . 1 1 23 23 LEU N N 23 116.195 116.195 120.335 -4.140 19396 3182 1 25 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.020 0.250 19396 3183 1 25 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.786 -0.966 19396 3184 1 25 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.190 -0.246 19396 3185 1 25 . 1 1 23 23 LEU H H 23 7.330 7.330 7.901 -0.571 19396 3186 1 25 . 1 1 24 24 VAL N N 24 115.225 115.225 118.601 -3.376 19396 3187 1 25 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.708 0.274 19396 3188 1 25 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.484 -1.165 19396 3189 1 25 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.570 0.688 19396 3190 1 25 . 1 1 24 24 VAL H H 24 7.326 7.326 8.178 -0.852 19396 3191 1 25 . 1 1 25 25 CYS N N 25 115.376 115.376 117.525 -2.149 19396 3192 1 25 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.632 -0.571 19396 3193 1 25 . 1 1 25 25 CYS C C 25 174.297 174.297 174.100 0.197 19396 3194 1 25 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.796 10.437 19396 3195 1 25 . 1 1 25 25 CYS H H 25 8.258 8.258 8.500 -0.242 19396 3196 1 25 . 1 1 26 26 LYS N N 26 119.613 119.613 117.529 2.084 19396 3197 1 25 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.986 0.187 19396 3198 1 25 . 1 1 26 26 LYS C C 26 175.125 175.125 175.627 -0.502 19396 3199 1 25 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.930 -0.138 19396 3200 1 25 . 1 1 26 26 LYS H H 26 7.978 7.978 8.092 -0.114 19396 3201 1 26 . 1 1 2 2 LEU N N 2 122.568 122.568 123.397 -0.829 19396 3202 1 26 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.476 0.170 19396 3203 1 26 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.607 -0.203 19396 3204 1 26 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.447 0.120 19396 3205 1 26 . 1 1 2 2 LEU H H 2 8.622 8.622 8.259 0.363 19396 3206 1 26 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.579 -0.079 19396 3207 1 26 . 1 1 3 3 PRO C C 3 177.335 177.335 177.402 -0.067 19396 3208 1 26 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.197 0.667 19396 3209 1 26 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.906 -0.500 19396 3210 1 26 . 1 1 4 4 ARG N N 4 124.305 124.305 122.161 2.144 19396 3211 1 26 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.930 0.064 19396 3212 1 26 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.363 -1.248 19396 3213 1 26 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.951 0.347 19396 3214 1 26 . 1 1 4 4 ARG H H 4 8.721 8.721 8.815 -0.094 19396 3215 1 26 . 1 1 5 5 LYS N N 5 117.116 117.116 117.084 0.032 19396 3216 1 26 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.107 -0.059 19396 3217 1 26 . 1 1 5 5 LYS C C 5 178.657 178.657 177.514 1.143 19396 3218 1 26 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.470 0.693 19396 3219 1 26 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.741 0.894 19396 3220 1 26 . 1 1 5 5 LYS H H 5 8.686 8.686 8.207 0.479 19396 3221 1 26 . 1 1 6 6 ILE N N 6 119.465 119.465 117.794 1.671 19396 3222 1 26 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.152 -0.145 19396 3223 1 26 . 1 1 6 6 ILE C C 6 180.162 180.162 177.441 2.721 19396 3224 1 26 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.954 -0.196 19396 3225 1 26 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.464 -1.579 19396 3226 1 26 . 1 1 6 6 ILE H H 6 7.364 7.364 7.620 -0.256 19396 3227 1 26 . 1 1 7 7 LEU N N 7 121.958 121.958 122.009 -0.051 19396 3228 1 26 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.038 0.000 19396 3229 1 26 . 1 1 7 7 LEU C C 7 179.647 179.647 178.405 1.242 19396 3230 1 26 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.553 0.492 19396 3231 1 26 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.469 0.783 19396 3232 1 26 . 1 1 7 7 LEU H H 7 8.080 8.080 8.421 -0.341 19396 3233 1 26 . 1 1 8 8 CYS N N 8 115.638 115.638 118.831 -3.193 19396 3234 1 26 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.025 0.523 19396 3235 1 26 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.318 10.824 19396 3236 1 26 . 1 1 8 8 CYS H H 8 8.730 8.730 8.206 0.524 19396 3237 1 26 . 1 1 9 9 ALA N N 9 124.009 124.009 123.489 0.520 19396 3238 1 26 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.019 0.166 19396 3239 1 26 . 1 1 9 9 ALA C C 9 180.836 180.836 179.466 1.370 19396 3240 1 26 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.239 0.238 19396 3241 1 26 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.421 -0.250 19396 3242 1 26 . 1 1 9 9 ALA H H 9 7.736 7.736 7.756 -0.020 19396 3243 1 26 . 1 1 10 10 ILE N N 10 119.305 119.305 119.139 0.166 19396 3244 1 26 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.658 0.081 19396 3245 1 26 . 1 1 10 10 ILE C C 10 177.596 177.596 178.057 -0.461 19396 3246 1 26 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.157 1.377 19396 3247 1 26 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.348 1.875 19396 3248 1 26 . 1 1 10 10 ILE H H 10 8.101 8.101 7.775 0.326 19396 3249 1 26 . 1 1 11 11 ALA N N 11 121.508 121.508 123.101 -1.593 19396 3250 1 26 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.065 -0.123 19396 3251 1 26 . 1 1 11 11 ALA C C 11 179.663 179.663 179.706 -0.043 19396 3252 1 26 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.336 -0.046 19396 3253 1 26 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.462 -0.028 19396 3254 1 26 . 1 1 11 11 ALA H H 11 7.999 7.999 8.528 -0.529 19396 3255 1 26 . 1 1 12 12 LYS N N 12 115.687 115.687 117.551 -1.864 19396 3256 1 26 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.032 0.027 19396 3257 1 26 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.105 0.082 19396 3258 1 26 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.499 0.101 19396 3259 1 26 . 1 1 12 12 LYS H H 12 8.058 8.058 7.622 0.436 19396 3260 1 26 . 1 1 13 13 LYS N N 13 120.587 120.587 120.077 0.510 19396 3261 1 26 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.107 0.036 19396 3262 1 26 . 1 1 13 13 LYS C C 13 178.141 178.141 178.768 -0.627 19396 3263 1 26 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.712 -0.027 19396 3264 1 26 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.556 0.044 19396 3265 1 26 . 1 1 13 13 LYS H H 13 7.826 7.826 8.036 -0.210 19396 3266 1 26 . 1 1 14 14 LYS N N 14 116.430 116.430 116.613 -0.183 19396 3267 1 26 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.322 -0.034 19396 3268 1 26 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.695 0.956 19396 3269 1 26 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.648 0.331 19396 3270 1 26 . 1 1 14 14 LYS H H 14 8.025 8.025 8.219 -0.194 19396 3271 1 26 . 1 1 15 15 GLY N N 15 108.661 108.661 107.437 1.224 19396 3272 1 26 . 1 1 15 15 GLY C C 15 174.966 174.966 173.990 0.976 19396 3273 1 26 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.320 1.089 19396 3274 1 26 . 1 1 15 15 GLY H H 15 7.885 7.885 7.777 0.108 19396 3275 1 26 . 1 1 16 16 LYS N N 16 117.160 117.160 120.782 -3.622 19396 3276 1 26 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.670 -0.263 19396 3277 1 26 . 1 1 16 16 LYS C C 16 175.840 175.840 174.264 1.576 19396 3278 1 26 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.550 -0.806 19396 3279 1 26 . 1 1 16 16 LYS CB C 16 32.897 32.897 34.091 -1.194 19396 3280 1 26 . 1 1 16 16 LYS H H 16 8.299 8.299 8.075 0.224 19396 3281 1 26 . 1 1 17 17 CYS N N 17 123.378 123.378 123.745 -0.367 19396 3282 1 26 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.775 -0.444 19396 3283 1 26 . 1 1 17 17 CYS C C 17 172.022 172.022 173.213 -1.191 19396 3284 1 26 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.712 -1.917 19396 3285 1 26 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.617 12.313 19396 3286 1 26 . 1 1 17 17 CYS H H 17 8.691 8.691 8.674 0.017 19396 3287 1 26 . 1 1 18 18 LYS N N 18 121.370 121.370 126.655 -5.285 19396 3288 1 26 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.521 0.017 19396 3289 1 26 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.327 0.513 19396 3290 1 26 . 1 1 18 18 LYS H H 18 7.708 7.708 8.276 -0.568 19396 3291 1 26 . 1 1 19 19 GLY N N 19 111.141 111.141 110.384 0.757 19396 3292 1 26 . 1 1 19 19 GLY C C 19 174.356 174.356 173.408 0.948 19396 3293 1 26 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.411 -1.058 19396 3294 1 26 . 1 1 19 19 GLY H H 19 9.036 9.036 8.493 0.543 19396 3295 1 26 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.260 0.111 19396 3296 1 26 . 1 1 20 20 PRO C C 20 178.505 178.505 178.188 0.317 19396 3297 1 26 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.567 -0.629 19396 3298 1 26 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.733 0.523 19396 3299 1 26 . 1 1 21 21 LEU N N 21 116.727 116.727 117.879 -1.152 19396 3300 1 26 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.100 0.054 19396 3301 1 26 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.567 -0.672 19396 3302 1 26 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.333 0.639 19396 3303 1 26 . 1 1 21 21 LEU H H 21 7.625 7.625 7.926 -0.301 19396 3304 1 26 . 1 1 22 22 LYS N N 22 118.668 118.668 119.373 -0.705 19396 3305 1 26 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.045 0.018 19396 3306 1 26 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.241 0.478 19396 3307 1 26 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.242 -0.075 19396 3308 1 26 . 1 1 22 22 LYS H H 22 7.583 7.583 7.356 0.227 19396 3309 1 26 . 1 1 23 23 LEU N N 23 116.195 116.195 119.886 -3.691 19396 3310 1 26 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.084 0.186 19396 3311 1 26 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.710 -0.890 19396 3312 1 26 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.992 -0.048 19396 3313 1 26 . 1 1 23 23 LEU H H 23 7.330 7.330 7.730 -0.400 19396 3314 1 26 . 1 1 24 24 VAL N N 24 115.225 115.225 118.844 -3.619 19396 3315 1 26 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.727 0.255 19396 3316 1 26 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.715 -1.396 19396 3317 1 26 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.550 0.708 19396 3318 1 26 . 1 1 24 24 VAL H H 24 7.326 7.326 8.296 -0.970 19396 3319 1 26 . 1 1 25 25 CYS N N 25 115.376 115.376 117.269 -1.893 19396 3320 1 26 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.747 -0.686 19396 3321 1 26 . 1 1 25 25 CYS C C 25 174.297 174.297 174.150 0.147 19396 3322 1 26 . 1 1 25 25 CYS CB C 25 38.233 38.233 26.736 11.497 19396 3323 1 26 . 1 1 25 25 CYS H H 25 8.258 8.258 8.341 -0.083 19396 3324 1 26 . 1 1 26 26 LYS N N 26 119.613 119.613 116.386 3.227 19396 3325 1 26 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.988 0.185 19396 3326 1 26 . 1 1 26 26 LYS C C 26 175.125 175.125 175.724 -0.599 19396 3327 1 26 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.015 -0.223 19396 3328 1 26 . 1 1 26 26 LYS H H 26 7.978 7.978 7.895 0.083 19396 3329 1 27 . 1 1 2 2 LEU N N 2 122.568 122.568 123.131 -0.563 19396 3330 1 27 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.164 0.482 19396 3331 1 27 . 1 1 2 2 LEU CA C 2 53.404 53.404 54.113 -0.709 19396 3332 1 27 . 1 1 2 2 LEU CB C 2 42.567 42.567 41.721 0.846 19396 3333 1 27 . 1 1 2 2 LEU H H 2 8.622 8.622 8.257 0.365 19396 3334 1 27 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.573 -0.073 19396 3335 1 27 . 1 1 3 3 PRO C C 3 177.335 177.335 177.952 -0.617 19396 3336 1 27 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.233 0.631 19396 3337 1 27 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.688 -0.282 19396 3338 1 27 . 1 1 4 4 ARG N N 4 124.305 124.305 122.006 2.299 19396 3339 1 27 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.884 0.110 19396 3340 1 27 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.404 -1.289 19396 3341 1 27 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.122 0.176 19396 3342 1 27 . 1 1 4 4 ARG H H 4 8.721 8.721 8.789 -0.068 19396 3343 1 27 . 1 1 5 5 LYS N N 5 117.116 117.116 118.772 -1.656 19396 3344 1 27 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.100 -0.052 19396 3345 1 27 . 1 1 5 5 LYS C C 5 178.657 178.657 177.894 0.763 19396 3346 1 27 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.129 0.034 19396 3347 1 27 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.117 0.518 19396 3348 1 27 . 1 1 5 5 LYS H H 5 8.686 8.686 8.256 0.430 19396 3349 1 27 . 1 1 6 6 ILE N N 6 119.465 119.465 117.212 2.253 19396 3350 1 27 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.007 -0.000 19396 3351 1 27 . 1 1 6 6 ILE C C 6 180.162 180.162 177.731 2.431 19396 3352 1 27 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.145 -0.387 19396 3353 1 27 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.846 -0.961 19396 3354 1 27 . 1 1 6 6 ILE H H 6 7.364 7.364 7.505 -0.141 19396 3355 1 27 . 1 1 7 7 LEU N N 7 121.958 121.958 122.837 -0.879 19396 3356 1 27 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.974 0.064 19396 3357 1 27 . 1 1 7 7 LEU C C 7 179.647 179.647 178.160 1.487 19396 3358 1 27 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.828 0.217 19396 3359 1 27 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.405 0.847 19396 3360 1 27 . 1 1 7 7 LEU H H 7 8.080 8.080 8.556 -0.476 19396 3361 1 27 . 1 1 8 8 CYS N N 8 115.638 115.638 118.427 -2.789 19396 3362 1 27 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.998 0.550 19396 3363 1 27 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.234 10.908 19396 3364 1 27 . 1 1 8 8 CYS H H 8 8.730 8.730 8.108 0.622 19396 3365 1 27 . 1 1 9 9 ALA N N 9 124.009 124.009 121.739 2.270 19396 3366 1 27 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.098 0.086 19396 3367 1 27 . 1 1 9 9 ALA C C 9 180.836 180.836 179.240 1.596 19396 3368 1 27 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.980 0.497 19396 3369 1 27 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.407 -0.236 19396 3370 1 27 . 1 1 9 9 ALA H H 9 7.736 7.736 7.860 -0.124 19396 3371 1 27 . 1 1 10 10 ILE N N 10 119.305 119.305 119.041 0.264 19396 3372 1 27 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.830 -0.091 19396 3373 1 27 . 1 1 10 10 ILE C C 10 177.596 177.596 177.844 -0.248 19396 3374 1 27 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.305 2.229 19396 3375 1 27 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.600 1.623 19396 3376 1 27 . 1 1 10 10 ILE H H 10 8.101 8.101 7.249 0.852 19396 3377 1 27 . 1 1 11 11 ALA N N 11 121.508 121.508 122.934 -1.426 19396 3378 1 27 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.987 -0.045 19396 3379 1 27 . 1 1 11 11 ALA C C 11 179.663 179.663 179.509 0.154 19396 3380 1 27 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.692 -0.402 19396 3381 1 27 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.466 -0.032 19396 3382 1 27 . 1 1 11 11 ALA H H 11 7.999 7.999 8.587 -0.588 19396 3383 1 27 . 1 1 12 12 LYS N N 12 115.687 115.687 116.492 -0.805 19396 3384 1 27 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.129 -0.070 19396 3385 1 27 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.486 0.701 19396 3386 1 27 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.184 0.416 19396 3387 1 27 . 1 1 12 12 LYS H H 12 8.058 8.058 8.346 -0.288 19396 3388 1 27 . 1 1 13 13 LYS N N 13 120.587 120.587 119.981 0.606 19396 3389 1 27 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.181 -0.038 19396 3390 1 27 . 1 1 13 13 LYS C C 13 178.141 178.141 178.328 -0.187 19396 3391 1 27 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.587 0.098 19396 3392 1 27 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.624 -0.024 19396 3393 1 27 . 1 1 13 13 LYS H H 13 7.826 7.826 7.589 0.237 19396 3394 1 27 . 1 1 14 14 LYS N N 14 116.430 116.430 116.337 0.093 19396 3395 1 27 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.333 -0.045 19396 3396 1 27 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.734 0.917 19396 3397 1 27 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.076 -0.097 19396 3398 1 27 . 1 1 14 14 LYS H H 14 8.025 8.025 8.021 0.004 19396 3399 1 27 . 1 1 15 15 GLY N N 15 108.661 108.661 106.960 1.701 19396 3400 1 27 . 1 1 15 15 GLY C C 15 174.966 174.966 174.216 0.750 19396 3401 1 27 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.541 0.868 19396 3402 1 27 . 1 1 15 15 GLY H H 15 7.885 7.885 8.170 -0.285 19396 3403 1 27 . 1 1 16 16 LYS N N 16 117.160 117.160 118.583 -1.423 19396 3404 1 27 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.489 -0.082 19396 3405 1 27 . 1 1 16 16 LYS C C 16 175.840 175.840 176.514 -0.674 19396 3406 1 27 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.011 -0.267 19396 3407 1 27 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.490 -0.593 19396 3408 1 27 . 1 1 16 16 LYS H H 16 8.299 8.299 8.117 0.182 19396 3409 1 27 . 1 1 17 17 CYS N N 17 123.378 123.378 120.649 2.729 19396 3410 1 27 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.289 0.042 19396 3411 1 27 . 1 1 17 17 CYS C C 17 172.022 172.022 174.283 -2.261 19396 3412 1 27 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.203 -3.408 19396 3413 1 27 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.646 15.284 19396 3414 1 27 . 1 1 17 17 CYS H H 17 8.691 8.691 7.868 0.823 19396 3415 1 27 . 1 1 18 18 LYS N N 18 121.370 121.370 127.782 -6.412 19396 3416 1 27 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.473 0.065 19396 3417 1 27 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.261 -0.421 19396 3418 1 27 . 1 1 18 18 LYS H H 18 7.708 7.708 8.112 -0.404 19396 3419 1 27 . 1 1 19 19 GLY N N 19 111.141 111.141 110.046 1.095 19396 3420 1 27 . 1 1 19 19 GLY C C 19 174.356 174.356 173.534 0.822 19396 3421 1 27 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.313 -0.960 19396 3422 1 27 . 1 1 19 19 GLY H H 19 9.036 9.036 8.411 0.625 19396 3423 1 27 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.256 0.115 19396 3424 1 27 . 1 1 20 20 PRO C C 20 178.505 178.505 178.167 0.338 19396 3425 1 27 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.305 -0.367 19396 3426 1 27 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.773 0.483 19396 3427 1 27 . 1 1 21 21 LEU N N 21 116.727 116.727 118.106 -1.379 19396 3428 1 27 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.090 0.064 19396 3429 1 27 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.955 -1.060 19396 3430 1 27 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.708 0.264 19396 3431 1 27 . 1 1 21 21 LEU H H 21 7.625 7.625 7.916 -0.291 19396 3432 1 27 . 1 1 22 22 LYS N N 22 118.668 118.668 119.272 -0.604 19396 3433 1 27 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.037 0.026 19396 3434 1 27 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.342 0.377 19396 3435 1 27 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.239 -0.072 19396 3436 1 27 . 1 1 22 22 LYS H H 22 7.583 7.583 7.385 0.198 19396 3437 1 27 . 1 1 23 23 LEU N N 23 116.195 116.195 120.095 -3.900 19396 3438 1 27 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.204 0.066 19396 3439 1 27 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.782 -0.963 19396 3440 1 27 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.093 -0.149 19396 3441 1 27 . 1 1 23 23 LEU H H 23 7.330 7.330 7.534 -0.204 19396 3442 1 27 . 1 1 24 24 VAL N N 24 115.225 115.225 119.203 -3.978 19396 3443 1 27 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.679 0.303 19396 3444 1 27 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.862 -1.543 19396 3445 1 27 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.455 0.803 19396 3446 1 27 . 1 1 24 24 VAL H H 24 7.326 7.326 8.466 -1.140 19396 3447 1 27 . 1 1 25 25 CYS N N 25 115.376 115.376 115.928 -0.552 19396 3448 1 27 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.537 -0.476 19396 3449 1 27 . 1 1 25 25 CYS C C 25 174.297 174.297 174.532 -0.235 19396 3450 1 27 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.603 10.630 19396 3451 1 27 . 1 1 25 25 CYS H H 25 8.258 8.258 8.186 0.072 19396 3452 1 27 . 1 1 26 26 LYS N N 26 119.613 119.613 119.323 0.290 19396 3453 1 27 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.041 0.132 19396 3454 1 27 . 1 1 26 26 LYS C C 26 175.125 175.125 175.736 -0.611 19396 3455 1 27 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.996 -0.204 19396 3456 1 27 . 1 1 26 26 LYS H H 26 7.978 7.978 7.920 0.058 19396 3457 1 28 . 1 1 2 2 LEU N N 2 122.568 122.568 123.309 -0.741 19396 3458 1 28 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.491 0.155 19396 3459 1 28 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.589 -0.185 19396 3460 1 28 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.462 0.105 19396 3461 1 28 . 1 1 2 2 LEU H H 2 8.622 8.622 8.261 0.361 19396 3462 1 28 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.617 -0.117 19396 3463 1 28 . 1 1 3 3 PRO C C 3 177.335 177.335 177.323 0.012 19396 3464 1 28 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.011 0.853 19396 3465 1 28 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.877 -0.471 19396 3466 1 28 . 1 1 4 4 ARG N N 4 124.305 124.305 121.702 2.603 19396 3467 1 28 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.924 0.070 19396 3468 1 28 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.550 -0.435 19396 3469 1 28 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.612 0.686 19396 3470 1 28 . 1 1 4 4 ARG H H 4 8.721 8.721 8.792 -0.071 19396 3471 1 28 . 1 1 5 5 LYS N N 5 117.116 117.116 118.110 -0.994 19396 3472 1 28 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.222 -0.174 19396 3473 1 28 . 1 1 5 5 LYS C C 5 178.657 178.657 177.242 1.415 19396 3474 1 28 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.178 0.985 19396 3475 1 28 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.628 1.007 19396 3476 1 28 . 1 1 5 5 LYS H H 5 8.686 8.686 8.372 0.314 19396 3477 1 28 . 1 1 6 6 ILE N N 6 119.465 119.465 119.085 0.380 19396 3478 1 28 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.011 -0.004 19396 3479 1 28 . 1 1 6 6 ILE C C 6 180.162 180.162 178.344 1.818 19396 3480 1 28 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.417 -0.659 19396 3481 1 28 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.792 -0.907 19396 3482 1 28 . 1 1 6 6 ILE H H 6 7.364 7.364 7.549 -0.185 19396 3483 1 28 . 1 1 7 7 LEU N N 7 121.958 121.958 121.717 0.241 19396 3484 1 28 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.892 0.146 19396 3485 1 28 . 1 1 7 7 LEU C C 7 179.647 179.647 178.473 1.174 19396 3486 1 28 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.940 0.105 19396 3487 1 28 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.254 0.998 19396 3488 1 28 . 1 1 7 7 LEU H H 7 8.080 8.080 8.414 -0.334 19396 3489 1 28 . 1 1 8 8 CYS N N 8 115.638 115.638 118.686 -3.048 19396 3490 1 28 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.052 0.496 19396 3491 1 28 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.325 10.817 19396 3492 1 28 . 1 1 8 8 CYS H H 8 8.730 8.730 8.115 0.615 19396 3493 1 28 . 1 1 9 9 ALA N N 9 124.009 124.009 122.863 1.146 19396 3494 1 28 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.057 0.127 19396 3495 1 28 . 1 1 9 9 ALA C C 9 180.836 180.836 179.226 1.610 19396 3496 1 28 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.406 0.071 19396 3497 1 28 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.223 -0.052 19396 3498 1 28 . 1 1 9 9 ALA H H 9 7.736 7.736 7.847 -0.111 19396 3499 1 28 . 1 1 10 10 ILE N N 10 119.305 119.305 119.197 0.108 19396 3500 1 28 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.830 -0.091 19396 3501 1 28 . 1 1 10 10 ILE C C 10 177.596 177.596 178.056 -0.460 19396 3502 1 28 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.537 1.997 19396 3503 1 28 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.471 1.752 19396 3504 1 28 . 1 1 10 10 ILE H H 10 8.101 8.101 7.190 0.911 19396 3505 1 28 . 1 1 11 11 ALA N N 11 121.508 121.508 123.025 -1.517 19396 3506 1 28 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.930 0.012 19396 3507 1 28 . 1 1 11 11 ALA C C 11 179.663 179.663 179.686 -0.023 19396 3508 1 28 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.651 -0.361 19396 3509 1 28 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.275 0.159 19396 3510 1 28 . 1 1 11 11 ALA H H 11 7.999 7.999 8.602 -0.603 19396 3511 1 28 . 1 1 12 12 LYS N N 12 115.687 115.687 116.601 -0.914 19396 3512 1 28 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.117 -0.058 19396 3513 1 28 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.728 0.459 19396 3514 1 28 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.485 0.115 19396 3515 1 28 . 1 1 12 12 LYS H H 12 8.058 8.058 8.127 -0.069 19396 3516 1 28 . 1 1 13 13 LYS N N 13 120.587 120.587 119.992 0.595 19396 3517 1 28 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.143 -0.000 19396 3518 1 28 . 1 1 13 13 LYS C C 13 178.141 178.141 178.420 -0.279 19396 3519 1 28 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.658 0.027 19396 3520 1 28 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.642 -0.043 19396 3521 1 28 . 1 1 13 13 LYS H H 13 7.826 7.826 7.505 0.321 19396 3522 1 28 . 1 1 14 14 LYS N N 14 116.430 116.430 116.391 0.039 19396 3523 1 28 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.312 -0.024 19396 3524 1 28 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.797 0.854 19396 3525 1 28 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.863 0.116 19396 3526 1 28 . 1 1 14 14 LYS H H 14 8.025 8.025 8.120 -0.095 19396 3527 1 28 . 1 1 15 15 GLY N N 15 108.661 108.661 106.672 1.989 19396 3528 1 28 . 1 1 15 15 GLY C C 15 174.966 174.966 175.178 -0.212 19396 3529 1 28 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.598 0.811 19396 3530 1 28 . 1 1 15 15 GLY H H 15 7.885 7.885 7.677 0.208 19396 3531 1 28 . 1 1 16 16 LYS N N 16 117.160 117.160 119.921 -2.761 19396 3532 1 28 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.419 -0.012 19396 3533 1 28 . 1 1 16 16 LYS C C 16 175.840 175.840 176.443 -0.603 19396 3534 1 28 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.631 -0.887 19396 3535 1 28 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.433 -0.536 19396 3536 1 28 . 1 1 16 16 LYS H H 16 8.299 8.299 8.196 0.103 19396 3537 1 28 . 1 1 17 17 CYS N N 17 123.378 123.378 122.057 1.321 19396 3538 1 28 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.241 0.090 19396 3539 1 28 . 1 1 17 17 CYS C C 17 172.022 172.022 173.683 -1.661 19396 3540 1 28 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.433 -3.638 19396 3541 1 28 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.896 15.034 19396 3542 1 28 . 1 1 17 17 CYS H H 17 8.691 8.691 7.635 1.056 19396 3543 1 28 . 1 1 18 18 LYS N N 18 121.370 121.370 126.594 -5.224 19396 3544 1 28 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.447 0.091 19396 3545 1 28 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.415 -0.575 19396 3546 1 28 . 1 1 18 18 LYS H H 18 7.708 7.708 8.093 -0.385 19396 3547 1 28 . 1 1 19 19 GLY N N 19 111.141 111.141 109.573 1.568 19396 3548 1 28 . 1 1 19 19 GLY C C 19 174.356 174.356 173.642 0.714 19396 3549 1 28 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.727 -1.374 19396 3550 1 28 . 1 1 19 19 GLY H H 19 9.036 9.036 8.496 0.540 19396 3551 1 28 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.300 0.071 19396 3552 1 28 . 1 1 20 20 PRO C C 20 178.505 178.505 178.332 0.173 19396 3553 1 28 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.501 -0.563 19396 3554 1 28 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.681 0.575 19396 3555 1 28 . 1 1 21 21 LEU N N 21 116.727 116.727 119.232 -2.505 19396 3556 1 28 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.138 0.016 19396 3557 1 28 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.381 -0.486 19396 3558 1 28 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.245 0.727 19396 3559 1 28 . 1 1 21 21 LEU H H 21 7.625 7.625 7.914 -0.289 19396 3560 1 28 . 1 1 22 22 LYS N N 22 118.668 118.668 119.810 -1.142 19396 3561 1 28 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.096 -0.033 19396 3562 1 28 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.228 0.491 19396 3563 1 28 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.330 -0.163 19396 3564 1 28 . 1 1 22 22 LYS H H 22 7.583 7.583 7.336 0.247 19396 3565 1 28 . 1 1 23 23 LEU N N 23 116.195 116.195 119.369 -3.174 19396 3566 1 28 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.016 0.254 19396 3567 1 28 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.389 -0.569 19396 3568 1 28 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.215 -0.271 19396 3569 1 28 . 1 1 23 23 LEU H H 23 7.330 7.330 7.923 -0.593 19396 3570 1 28 . 1 1 24 24 VAL N N 24 115.225 115.225 117.326 -2.101 19396 3571 1 28 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.805 0.177 19396 3572 1 28 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.936 -1.617 19396 3573 1 28 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.129 1.129 19396 3574 1 28 . 1 1 24 24 VAL H H 24 7.326 7.326 8.014 -0.688 19396 3575 1 28 . 1 1 25 25 CYS N N 25 115.376 115.376 115.342 0.034 19396 3576 1 28 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.636 -0.575 19396 3577 1 28 . 1 1 25 25 CYS C C 25 174.297 174.297 174.050 0.247 19396 3578 1 28 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.102 10.131 19396 3579 1 28 . 1 1 25 25 CYS H H 25 8.258 8.258 8.023 0.235 19396 3580 1 28 . 1 1 26 26 LYS N N 26 119.613 119.613 119.048 0.565 19396 3581 1 28 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.036 0.137 19396 3582 1 28 . 1 1 26 26 LYS C C 26 175.125 175.125 175.981 -0.856 19396 3583 1 28 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.889 -0.097 19396 3584 1 28 . 1 1 26 26 LYS H H 26 7.978 7.978 8.156 -0.178 19396 3585 1 29 . 1 1 2 2 LEU N N 2 122.568 122.568 122.855 -0.287 19396 3586 1 29 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.663 -0.017 19396 3587 1 29 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.531 -0.127 19396 3588 1 29 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.213 -1.646 19396 3589 1 29 . 1 1 2 2 LEU H H 2 8.622 8.622 8.249 0.373 19396 3590 1 29 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.636 -0.136 19396 3591 1 29 . 1 1 3 3 PRO C C 3 177.335 177.335 177.300 0.035 19396 3592 1 29 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.125 0.739 19396 3593 1 29 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.991 -0.585 19396 3594 1 29 . 1 1 4 4 ARG N N 4 124.305 124.305 121.491 2.814 19396 3595 1 29 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.943 0.051 19396 3596 1 29 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.215 -1.100 19396 3597 1 29 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.997 0.301 19396 3598 1 29 . 1 1 4 4 ARG H H 4 8.721 8.721 8.803 -0.082 19396 3599 1 29 . 1 1 5 5 LYS N N 5 117.116 117.116 116.720 0.396 19396 3600 1 29 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.160 -0.112 19396 3601 1 29 . 1 1 5 5 LYS C C 5 178.657 178.657 177.421 1.236 19396 3602 1 29 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.712 0.451 19396 3603 1 29 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.777 0.858 19396 3604 1 29 . 1 1 5 5 LYS H H 5 8.686 8.686 8.317 0.369 19396 3605 1 29 . 1 1 6 6 ILE N N 6 119.465 119.465 118.468 0.997 19396 3606 1 29 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.050 -0.043 19396 3607 1 29 . 1 1 6 6 ILE C C 6 180.162 180.162 178.013 2.149 19396 3608 1 29 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.139 -0.381 19396 3609 1 29 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.227 -1.342 19396 3610 1 29 . 1 1 6 6 ILE H H 6 7.364 7.364 7.543 -0.179 19396 3611 1 29 . 1 1 7 7 LEU N N 7 121.958 121.958 121.895 0.063 19396 3612 1 29 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.879 0.159 19396 3613 1 29 . 1 1 7 7 LEU C C 7 179.647 179.647 178.507 1.140 19396 3614 1 29 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.108 -0.063 19396 3615 1 29 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.392 0.860 19396 3616 1 29 . 1 1 7 7 LEU H H 7 8.080 8.080 8.341 -0.261 19396 3617 1 29 . 1 1 8 8 CYS N N 8 115.638 115.638 118.580 -2.942 19396 3618 1 29 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.030 0.518 19396 3619 1 29 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.344 10.798 19396 3620 1 29 . 1 1 8 8 CYS H H 8 8.730 8.730 8.342 0.388 19396 3621 1 29 . 1 1 9 9 ALA N N 9 124.009 124.009 123.099 0.910 19396 3622 1 29 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.983 0.201 19396 3623 1 29 . 1 1 9 9 ALA C C 9 180.836 180.836 179.376 1.460 19396 3624 1 29 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.451 0.026 19396 3625 1 29 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.124 0.047 19396 3626 1 29 . 1 1 9 9 ALA H H 9 7.736 7.736 7.836 -0.100 19396 3627 1 29 . 1 1 10 10 ILE N N 10 119.305 119.305 118.692 0.613 19396 3628 1 29 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.773 -0.034 19396 3629 1 29 . 1 1 10 10 ILE C C 10 177.596 177.596 177.754 -0.158 19396 3630 1 29 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.281 0.253 19396 3631 1 29 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.876 0.347 19396 3632 1 29 . 1 1 10 10 ILE H H 10 8.101 8.101 7.323 0.778 19396 3633 1 29 . 1 1 11 11 ALA N N 11 121.508 121.508 122.884 -1.376 19396 3634 1 29 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.973 -0.031 19396 3635 1 29 . 1 1 11 11 ALA C C 11 179.663 179.663 179.452 0.211 19396 3636 1 29 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.469 -0.179 19396 3637 1 29 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.096 0.338 19396 3638 1 29 . 1 1 11 11 ALA H H 11 7.999 7.999 8.447 -0.448 19396 3639 1 29 . 1 1 12 12 LYS N N 12 115.687 115.687 117.715 -2.028 19396 3640 1 29 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.078 -0.019 19396 3641 1 29 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.767 0.420 19396 3642 1 29 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.416 0.184 19396 3643 1 29 . 1 1 12 12 LYS H H 12 8.058 8.058 8.236 -0.178 19396 3644 1 29 . 1 1 13 13 LYS N N 13 120.587 120.587 118.702 1.885 19396 3645 1 29 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.129 0.014 19396 3646 1 29 . 1 1 13 13 LYS C C 13 178.141 178.141 178.733 -0.592 19396 3647 1 29 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.616 0.069 19396 3648 1 29 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.711 -0.111 19396 3649 1 29 . 1 1 13 13 LYS H H 13 7.826 7.826 7.501 0.325 19396 3650 1 29 . 1 1 14 14 LYS N N 14 116.430 116.430 116.510 -0.080 19396 3651 1 29 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.336 -0.048 19396 3652 1 29 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.776 0.875 19396 3653 1 29 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.947 0.032 19396 3654 1 29 . 1 1 14 14 LYS H H 14 8.025 8.025 8.162 -0.137 19396 3655 1 29 . 1 1 15 15 GLY N N 15 108.661 108.661 106.788 1.873 19396 3656 1 29 . 1 1 15 15 GLY C C 15 174.966 174.966 175.158 -0.192 19396 3657 1 29 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.646 0.763 19396 3658 1 29 . 1 1 15 15 GLY H H 15 7.885 7.885 8.018 -0.133 19396 3659 1 29 . 1 1 16 16 LYS N N 16 117.160 117.160 118.361 -1.201 19396 3660 1 29 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.488 -0.081 19396 3661 1 29 . 1 1 16 16 LYS C C 16 175.840 175.840 176.327 -0.487 19396 3662 1 29 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.109 -0.365 19396 3663 1 29 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.776 0.121 19396 3664 1 29 . 1 1 16 16 LYS H H 16 8.299 8.299 8.158 0.141 19396 3665 1 29 . 1 1 17 17 CYS N N 17 123.378 123.378 122.322 1.056 19396 3666 1 29 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.218 0.113 19396 3667 1 29 . 1 1 17 17 CYS C C 17 172.022 172.022 173.377 -1.355 19396 3668 1 29 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.250 -3.455 19396 3669 1 29 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.377 14.553 19396 3670 1 29 . 1 1 17 17 CYS H H 17 8.691 8.691 7.776 0.915 19396 3671 1 29 . 1 1 18 18 LYS N N 18 121.370 121.370 126.118 -4.748 19396 3672 1 29 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.420 0.118 19396 3673 1 29 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.313 -0.473 19396 3674 1 29 . 1 1 18 18 LYS H H 18 7.708 7.708 8.222 -0.514 19396 3675 1 29 . 1 1 19 19 GLY N N 19 111.141 111.141 110.788 0.353 19396 3676 1 29 . 1 1 19 19 GLY C C 19 174.356 174.356 173.753 0.603 19396 3677 1 29 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.830 -1.477 19396 3678 1 29 . 1 1 19 19 GLY H H 19 9.036 9.036 8.598 0.438 19396 3679 1 29 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.310 0.061 19396 3680 1 29 . 1 1 20 20 PRO C C 20 178.505 178.505 178.367 0.138 19396 3681 1 29 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.252 -0.314 19396 3682 1 29 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.732 0.524 19396 3683 1 29 . 1 1 21 21 LEU N N 21 116.727 116.727 119.821 -3.094 19396 3684 1 29 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.099 0.055 19396 3685 1 29 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.832 -0.937 19396 3686 1 29 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.746 0.226 19396 3687 1 29 . 1 1 21 21 LEU H H 21 7.625 7.625 7.941 -0.316 19396 3688 1 29 . 1 1 22 22 LYS N N 22 118.668 118.668 119.657 -0.989 19396 3689 1 29 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.053 0.010 19396 3690 1 29 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.280 0.439 19396 3691 1 29 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.256 -0.089 19396 3692 1 29 . 1 1 22 22 LYS H H 22 7.583 7.583 7.509 0.074 19396 3693 1 29 . 1 1 23 23 LEU N N 23 116.195 116.195 120.510 -4.315 19396 3694 1 29 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.077 0.193 19396 3695 1 29 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.734 -0.914 19396 3696 1 29 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.268 -0.324 19396 3697 1 29 . 1 1 23 23 LEU H H 23 7.330 7.330 7.709 -0.379 19396 3698 1 29 . 1 1 24 24 VAL N N 24 115.225 115.225 118.892 -3.667 19396 3699 1 29 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.689 0.293 19396 3700 1 29 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.571 -1.252 19396 3701 1 29 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.516 0.742 19396 3702 1 29 . 1 1 24 24 VAL H H 24 7.326 7.326 8.427 -1.101 19396 3703 1 29 . 1 1 25 25 CYS N N 25 115.376 115.376 116.533 -1.157 19396 3704 1 29 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.604 -0.543 19396 3705 1 29 . 1 1 25 25 CYS C C 25 174.297 174.297 174.374 -0.077 19396 3706 1 29 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.242 10.991 19396 3707 1 29 . 1 1 25 25 CYS H H 25 8.258 8.258 8.211 0.047 19396 3708 1 29 . 1 1 26 26 LYS N N 26 119.613 119.613 120.105 -0.492 19396 3709 1 29 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.112 0.060 19396 3710 1 29 . 1 1 26 26 LYS C C 26 175.125 175.125 175.604 -0.479 19396 3711 1 29 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.843 -0.051 19396 3712 1 29 . 1 1 26 26 LYS H H 26 7.978 7.978 7.896 0.082 19396 3713 1 30 . 1 1 2 2 LEU N N 2 122.568 122.568 120.976 1.592 19396 3714 1 30 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.177 0.469 19396 3715 1 30 . 1 1 2 2 LEU CA C 2 53.404 53.404 54.251 -0.847 19396 3716 1 30 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.222 0.345 19396 3717 1 30 . 1 1 2 2 LEU H H 2 8.622 8.622 8.254 0.368 19396 3718 1 30 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.618 -0.118 19396 3719 1 30 . 1 1 3 3 PRO C C 3 177.335 177.335 177.887 -0.552 19396 3720 1 30 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.127 0.737 19396 3721 1 30 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.733 -0.328 19396 3722 1 30 . 1 1 4 4 ARG N N 4 124.305 124.305 120.986 3.319 19396 3723 1 30 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.886 0.108 19396 3724 1 30 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.431 -1.316 19396 3725 1 30 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.022 0.276 19396 3726 1 30 . 1 1 4 4 ARG H H 4 8.721 8.721 8.842 -0.121 19396 3727 1 30 . 1 1 5 5 LYS N N 5 117.116 117.116 117.807 -0.691 19396 3728 1 30 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.130 -0.082 19396 3729 1 30 . 1 1 5 5 LYS C C 5 178.657 178.657 177.576 1.081 19396 3730 1 30 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.692 0.471 19396 3731 1 30 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.665 0.970 19396 3732 1 30 . 1 1 5 5 LYS H H 5 8.686 8.686 8.419 0.267 19396 3733 1 30 . 1 1 6 6 ILE N N 6 119.465 119.465 119.094 0.371 19396 3734 1 30 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.019 -0.012 19396 3735 1 30 . 1 1 6 6 ILE C C 6 180.162 180.162 177.509 2.653 19396 3736 1 30 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.440 -0.682 19396 3737 1 30 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.151 -1.266 19396 3738 1 30 . 1 1 6 6 ILE H H 6 7.364 7.364 7.492 -0.128 19396 3739 1 30 . 1 1 7 7 LEU N N 7 121.958 121.958 121.329 0.629 19396 3740 1 30 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.855 0.183 19396 3741 1 30 . 1 1 7 7 LEU C C 7 179.647 179.647 178.859 0.788 19396 3742 1 30 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.185 -0.140 19396 3743 1 30 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.393 0.859 19396 3744 1 30 . 1 1 7 7 LEU H H 7 8.080 8.080 8.346 -0.266 19396 3745 1 30 . 1 1 8 8 CYS N N 8 115.638 115.638 118.542 -2.904 19396 3746 1 30 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.048 0.500 19396 3747 1 30 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.515 10.627 19396 3748 1 30 . 1 1 8 8 CYS H H 8 8.730 8.730 8.306 0.424 19396 3749 1 30 . 1 1 9 9 ALA N N 9 124.009 124.009 123.180 0.829 19396 3750 1 30 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.038 0.146 19396 3751 1 30 . 1 1 9 9 ALA C C 9 180.836 180.836 179.507 1.329 19396 3752 1 30 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.147 0.330 19396 3753 1 30 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.465 -0.294 19396 3754 1 30 . 1 1 9 9 ALA H H 9 7.736 7.736 7.681 0.055 19396 3755 1 30 . 1 1 10 10 ILE N N 10 119.305 119.305 118.963 0.342 19396 3756 1 30 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.677 0.062 19396 3757 1 30 . 1 1 10 10 ILE C C 10 177.596 177.596 178.059 -0.463 19396 3758 1 30 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.104 1.430 19396 3759 1 30 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.407 1.816 19396 3760 1 30 . 1 1 10 10 ILE H H 10 8.101 8.101 7.858 0.243 19396 3761 1 30 . 1 1 11 11 ALA N N 11 121.508 121.508 122.836 -1.328 19396 3762 1 30 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.079 -0.137 19396 3763 1 30 . 1 1 11 11 ALA C C 11 179.663 179.663 179.646 0.017 19396 3764 1 30 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.265 0.025 19396 3765 1 30 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.408 0.026 19396 3766 1 30 . 1 1 11 11 ALA H H 11 7.999 7.999 8.581 -0.582 19396 3767 1 30 . 1 1 12 12 LYS N N 12 115.687 115.687 118.319 -2.632 19396 3768 1 30 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.001 0.058 19396 3769 1 30 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.277 -0.090 19396 3770 1 30 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.264 0.336 19396 3771 1 30 . 1 1 12 12 LYS H H 12 8.058 8.058 7.597 0.461 19396 3772 1 30 . 1 1 13 13 LYS N N 13 120.587 120.587 119.112 1.475 19396 3773 1 30 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.090 0.053 19396 3774 1 30 . 1 1 13 13 LYS C C 13 178.141 178.141 178.769 -0.628 19396 3775 1 30 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.583 0.102 19396 3776 1 30 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.543 0.057 19396 3777 1 30 . 1 1 13 13 LYS H H 13 7.826 7.826 7.591 0.235 19396 3778 1 30 . 1 1 14 14 LYS N N 14 116.430 116.430 116.751 -0.321 19396 3779 1 30 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.358 -0.070 19396 3780 1 30 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.453 1.198 19396 3781 1 30 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.587 0.391 19396 3782 1 30 . 1 1 14 14 LYS H H 14 8.025 8.025 8.173 -0.148 19396 3783 1 30 . 1 1 15 15 GLY N N 15 108.661 108.661 107.338 1.323 19396 3784 1 30 . 1 1 15 15 GLY C C 15 174.966 174.966 174.625 0.341 19396 3785 1 30 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.633 0.776 19396 3786 1 30 . 1 1 15 15 GLY H H 15 7.885 7.885 7.549 0.336 19396 3787 1 30 . 1 1 16 16 LYS N N 16 117.160 117.160 120.441 -3.281 19396 3788 1 30 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.657 -0.250 19396 3789 1 30 . 1 1 16 16 LYS C C 16 175.840 175.840 174.790 1.050 19396 3790 1 30 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.424 -0.680 19396 3791 1 30 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.017 -0.120 19396 3792 1 30 . 1 1 16 16 LYS H H 16 8.299 8.299 8.210 0.089 19396 3793 1 30 . 1 1 17 17 CYS N N 17 123.378 123.378 121.835 1.543 19396 3794 1 30 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.660 -0.329 19396 3795 1 30 . 1 1 17 17 CYS C C 17 172.022 172.022 172.909 -0.887 19396 3796 1 30 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.503 -1.708 19396 3797 1 30 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.461 12.469 19396 3798 1 30 . 1 1 17 17 CYS H H 17 8.691 8.691 8.347 0.344 19396 3799 1 30 . 1 1 18 18 LYS N N 18 121.370 121.370 124.986 -3.616 19396 3800 1 30 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.441 0.097 19396 3801 1 30 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.806 1.034 19396 3802 1 30 . 1 1 18 18 LYS H H 18 7.708 7.708 8.120 -0.412 19396 3803 1 30 . 1 1 19 19 GLY N N 19 111.141 111.141 109.435 1.706 19396 3804 1 30 . 1 1 19 19 GLY C C 19 174.356 174.356 173.580 0.776 19396 3805 1 30 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.223 -0.870 19396 3806 1 30 . 1 1 19 19 GLY H H 19 9.036 9.036 8.541 0.495 19396 3807 1 30 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.249 0.122 19396 3808 1 30 . 1 1 20 20 PRO C C 20 178.505 178.505 178.265 0.240 19396 3809 1 30 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.463 -0.525 19396 3810 1 30 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.752 0.504 19396 3811 1 30 . 1 1 21 21 LEU N N 21 116.727 116.727 118.233 -1.506 19396 3812 1 30 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.094 0.060 19396 3813 1 30 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.749 -0.854 19396 3814 1 30 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.683 0.289 19396 3815 1 30 . 1 1 21 21 LEU H H 21 7.625 7.625 7.931 -0.306 19396 3816 1 30 . 1 1 22 22 LYS N N 22 118.668 118.668 119.658 -0.990 19396 3817 1 30 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.040 0.023 19396 3818 1 30 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.283 0.436 19396 3819 1 30 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.243 -0.076 19396 3820 1 30 . 1 1 22 22 LYS H H 22 7.583 7.583 7.557 0.026 19396 3821 1 30 . 1 1 23 23 LEU N N 23 116.195 116.195 120.547 -4.352 19396 3822 1 30 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.090 0.180 19396 3823 1 30 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.809 -0.990 19396 3824 1 30 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.954 -0.010 19396 3825 1 30 . 1 1 23 23 LEU H H 23 7.330 7.330 7.731 -0.401 19396 3826 1 30 . 1 1 24 24 VAL N N 24 115.225 115.225 119.375 -4.150 19396 3827 1 30 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.780 0.202 19396 3828 1 30 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.681 -1.362 19396 3829 1 30 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.047 1.211 19396 3830 1 30 . 1 1 24 24 VAL H H 24 7.326 7.326 8.413 -1.087 19396 3831 1 30 . 1 1 25 25 CYS N N 25 115.376 115.376 117.265 -1.889 19396 3832 1 30 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.427 -0.366 19396 3833 1 30 . 1 1 25 25 CYS C C 25 174.297 174.297 174.136 0.161 19396 3834 1 30 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.565 10.668 19396 3835 1 30 . 1 1 25 25 CYS H H 25 8.258 8.258 8.247 0.011 19396 3836 1 30 . 1 1 26 26 LYS N N 26 119.613 119.613 118.261 1.352 19396 3837 1 30 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.028 0.145 19396 3838 1 30 . 1 1 26 26 LYS C C 26 175.125 175.125 175.948 -0.823 19396 3839 1 30 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.984 -0.192 19396 3840 1 30 . 1 1 26 26 LYS H H 26 7.978 7.978 7.901 0.077 19396 3841 1 31 . 1 1 2 2 LEU N N 2 122.568 122.568 122.039 0.529 19396 3842 1 31 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.618 0.028 19396 3843 1 31 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.296 0.108 19396 3844 1 31 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.144 -1.577 19396 3845 1 31 . 1 1 2 2 LEU H H 2 8.622 8.622 8.213 0.409 19396 3846 1 31 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.528 -0.028 19396 3847 1 31 . 1 1 3 3 PRO C C 3 177.335 177.335 177.295 0.040 19396 3848 1 31 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.358 0.506 19396 3849 1 31 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.628 -0.222 19396 3850 1 31 . 1 1 4 4 ARG N N 4 124.305 124.305 123.241 1.064 19396 3851 1 31 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.917 0.077 19396 3852 1 31 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.402 -1.287 19396 3853 1 31 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.126 0.172 19396 3854 1 31 . 1 1 4 4 ARG H H 4 8.721 8.721 8.765 -0.044 19396 3855 1 31 . 1 1 5 5 LYS N N 5 117.116 117.116 119.323 -2.207 19396 3856 1 31 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.082 -0.034 19396 3857 1 31 . 1 1 5 5 LYS C C 5 178.657 178.657 178.748 -0.091 19396 3858 1 31 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.318 -0.155 19396 3859 1 31 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.036 0.599 19396 3860 1 31 . 1 1 5 5 LYS H H 5 8.686 8.686 8.264 0.422 19396 3861 1 31 . 1 1 6 6 ILE N N 6 119.465 119.465 120.345 -0.880 19396 3862 1 31 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.814 0.193 19396 3863 1 31 . 1 1 6 6 ILE C C 6 180.162 180.162 177.808 2.354 19396 3864 1 31 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.625 -0.867 19396 3865 1 31 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.042 -0.157 19396 3866 1 31 . 1 1 6 6 ILE H H 6 7.364 7.364 7.423 -0.059 19396 3867 1 31 . 1 1 7 7 LEU N N 7 121.958 121.958 120.616 1.342 19396 3868 1 31 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.828 0.210 19396 3869 1 31 . 1 1 7 7 LEU C C 7 179.647 179.647 178.987 0.660 19396 3870 1 31 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.411 -0.366 19396 3871 1 31 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.347 0.905 19396 3872 1 31 . 1 1 7 7 LEU H H 7 8.080 8.080 8.348 -0.268 19396 3873 1 31 . 1 1 8 8 CYS N N 8 115.638 115.638 118.149 -2.511 19396 3874 1 31 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.027 0.521 19396 3875 1 31 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.593 10.549 19396 3876 1 31 . 1 1 8 8 CYS H H 8 8.730 8.730 8.458 0.272 19396 3877 1 31 . 1 1 9 9 ALA N N 9 124.009 124.009 123.068 0.941 19396 3878 1 31 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.999 0.185 19396 3879 1 31 . 1 1 9 9 ALA C C 9 180.836 180.836 179.648 1.188 19396 3880 1 31 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.152 0.325 19396 3881 1 31 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.311 -0.140 19396 3882 1 31 . 1 1 9 9 ALA H H 9 7.736 7.736 7.443 0.293 19396 3883 1 31 . 1 1 10 10 ILE N N 10 119.305 119.305 118.244 1.061 19396 3884 1 31 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.750 -0.011 19396 3885 1 31 . 1 1 10 10 ILE C C 10 177.596 177.596 177.684 -0.088 19396 3886 1 31 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.609 -0.075 19396 3887 1 31 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.884 0.339 19396 3888 1 31 . 1 1 10 10 ILE H H 10 8.101 8.101 7.655 0.446 19396 3889 1 31 . 1 1 11 11 ALA N N 11 121.508 121.508 123.364 -1.856 19396 3890 1 31 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.982 -0.040 19396 3891 1 31 . 1 1 11 11 ALA C C 11 179.663 179.663 179.633 0.030 19396 3892 1 31 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.640 -0.350 19396 3893 1 31 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.190 0.244 19396 3894 1 31 . 1 1 11 11 ALA H H 11 7.999 7.999 8.583 -0.584 19396 3895 1 31 . 1 1 12 12 LYS N N 12 115.687 115.687 117.965 -2.278 19396 3896 1 31 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.007 0.052 19396 3897 1 31 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.796 0.391 19396 3898 1 31 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.090 0.510 19396 3899 1 31 . 1 1 12 12 LYS H H 12 8.058 8.058 7.683 0.375 19396 3900 1 31 . 1 1 13 13 LYS N N 13 120.587 120.587 119.416 1.171 19396 3901 1 31 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.128 0.015 19396 3902 1 31 . 1 1 13 13 LYS C C 13 178.141 178.141 178.756 -0.615 19396 3903 1 31 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.702 -0.017 19396 3904 1 31 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.689 -0.089 19396 3905 1 31 . 1 1 13 13 LYS H H 13 7.826 7.826 7.490 0.336 19396 3906 1 31 . 1 1 14 14 LYS N N 14 116.430 116.430 116.363 0.067 19396 3907 1 31 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.410 -0.122 19396 3908 1 31 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.123 1.528 19396 3909 1 31 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.267 -0.287 19396 3910 1 31 . 1 1 14 14 LYS H H 14 8.025 8.025 8.220 -0.195 19396 3911 1 31 . 1 1 15 15 GLY N N 15 108.661 108.661 107.136 1.525 19396 3912 1 31 . 1 1 15 15 GLY C C 15 174.966 174.966 174.934 0.032 19396 3913 1 31 . 1 1 15 15 GLY CA C 15 46.409 46.409 46.127 0.283 19396 3914 1 31 . 1 1 15 15 GLY H H 15 7.885 7.885 8.063 -0.178 19396 3915 1 31 . 1 1 16 16 LYS N N 16 117.160 117.160 118.402 -1.242 19396 3916 1 31 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.511 -0.104 19396 3917 1 31 . 1 1 16 16 LYS C C 16 175.840 175.840 175.965 -0.125 19396 3918 1 31 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.029 -0.285 19396 3919 1 31 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.694 0.203 19396 3920 1 31 . 1 1 16 16 LYS H H 16 8.299 8.299 8.078 0.221 19396 3921 1 31 . 1 1 17 17 CYS N N 17 123.378 123.378 121.378 2.000 19396 3922 1 31 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.291 0.040 19396 3923 1 31 . 1 1 17 17 CYS C C 17 172.022 172.022 173.322 -1.300 19396 3924 1 31 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.703 -2.909 19396 3925 1 31 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.633 14.297 19396 3926 1 31 . 1 1 17 17 CYS H H 17 8.691 8.691 8.023 0.668 19396 3927 1 31 . 1 1 18 18 LYS N N 18 121.370 121.370 125.004 -3.634 19396 3928 1 31 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.431 0.107 19396 3929 1 31 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.608 1.232 19396 3930 1 31 . 1 1 18 18 LYS H H 18 7.708 7.708 8.206 -0.498 19396 3931 1 31 . 1 1 19 19 GLY N N 19 111.141 111.141 109.181 1.960 19396 3932 1 31 . 1 1 19 19 GLY C C 19 174.356 174.356 173.596 0.760 19396 3933 1 31 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.917 -0.564 19396 3934 1 31 . 1 1 19 19 GLY H H 19 9.036 9.036 8.522 0.514 19396 3935 1 31 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.257 0.114 19396 3936 1 31 . 1 1 20 20 PRO C C 20 178.505 178.505 178.115 0.390 19396 3937 1 31 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.232 -0.294 19396 3938 1 31 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.786 0.470 19396 3939 1 31 . 1 1 21 21 LEU N N 21 116.727 116.727 118.132 -1.405 19396 3940 1 31 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.099 0.055 19396 3941 1 31 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.592 -0.697 19396 3942 1 31 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.680 0.292 19396 3943 1 31 . 1 1 21 21 LEU H H 21 7.625 7.625 7.932 -0.307 19396 3944 1 31 . 1 1 22 22 LYS N N 22 118.668 118.668 119.463 -0.795 19396 3945 1 31 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.017 0.046 19396 3946 1 31 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.514 0.205 19396 3947 1 31 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.110 0.057 19396 3948 1 31 . 1 1 22 22 LYS H H 22 7.583 7.583 7.425 0.158 19396 3949 1 31 . 1 1 23 23 LEU N N 23 116.195 116.195 119.366 -3.171 19396 3950 1 31 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.169 0.101 19396 3951 1 31 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.617 -0.797 19396 3952 1 31 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.885 0.059 19396 3953 1 31 . 1 1 23 23 LEU H H 23 7.330 7.330 7.424 -0.094 19396 3954 1 31 . 1 1 24 24 VAL N N 24 115.225 115.225 119.068 -3.843 19396 3955 1 31 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.688 0.294 19396 3956 1 31 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.823 -1.504 19396 3957 1 31 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.467 0.791 19396 3958 1 31 . 1 1 24 24 VAL H H 24 7.326 7.326 8.277 -0.951 19396 3959 1 31 . 1 1 25 25 CYS N N 25 115.376 115.376 117.548 -2.172 19396 3960 1 31 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.545 -0.484 19396 3961 1 31 . 1 1 25 25 CYS C C 25 174.297 174.297 174.133 0.164 19396 3962 1 31 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.235 10.998 19396 3963 1 31 . 1 1 25 25 CYS H H 25 8.258 8.258 8.405 -0.147 19396 3964 1 31 . 1 1 26 26 LYS N N 26 119.613 119.613 119.317 0.296 19396 3965 1 31 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.983 0.190 19396 3966 1 31 . 1 1 26 26 LYS C C 26 175.125 175.125 175.076 0.049 19396 3967 1 31 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.158 -0.366 19396 3968 1 31 . 1 1 26 26 LYS H H 26 7.978 7.978 7.872 0.106 19396 3969 1 32 . 1 1 2 2 LEU N N 2 122.568 122.568 123.620 -1.052 19396 3970 1 32 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.485 0.161 19396 3971 1 32 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.801 -0.397 19396 3972 1 32 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.234 0.333 19396 3973 1 32 . 1 1 2 2 LEU H H 2 8.622 8.622 8.206 0.416 19396 3974 1 32 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.720 -0.220 19396 3975 1 32 . 1 1 3 3 PRO C C 3 177.335 177.335 177.501 -0.166 19396 3976 1 32 . 1 1 3 3 PRO CA C 3 62.864 62.864 61.936 0.928 19396 3977 1 32 . 1 1 3 3 PRO CB C 3 32.406 32.406 33.006 -0.600 19396 3978 1 32 . 1 1 4 4 ARG N N 4 124.305 124.305 120.950 3.355 19396 3979 1 32 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.929 0.065 19396 3980 1 32 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.416 -0.301 19396 3981 1 32 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.869 0.429 19396 3982 1 32 . 1 1 4 4 ARG H H 4 8.721 8.721 8.812 -0.091 19396 3983 1 32 . 1 1 5 5 LYS N N 5 117.116 117.116 118.268 -1.152 19396 3984 1 32 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.165 -0.117 19396 3985 1 32 . 1 1 5 5 LYS C C 5 178.657 178.657 178.258 0.399 19396 3986 1 32 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.301 0.862 19396 3987 1 32 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.785 0.850 19396 3988 1 32 . 1 1 5 5 LYS H H 5 8.686 8.686 8.216 0.470 19396 3989 1 32 . 1 1 6 6 ILE N N 6 119.465 119.465 119.689 -0.224 19396 3990 1 32 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.918 0.089 19396 3991 1 32 . 1 1 6 6 ILE C C 6 180.162 180.162 178.461 1.701 19396 3992 1 32 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.959 -0.201 19396 3993 1 32 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.384 -0.499 19396 3994 1 32 . 1 1 6 6 ILE H H 6 7.364 7.364 7.484 -0.120 19396 3995 1 32 . 1 1 7 7 LEU N N 7 121.958 121.958 121.082 0.876 19396 3996 1 32 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.896 0.142 19396 3997 1 32 . 1 1 7 7 LEU C C 7 179.647 179.647 178.521 1.126 19396 3998 1 32 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.866 0.179 19396 3999 1 32 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.131 1.121 19396 4000 1 32 . 1 1 7 7 LEU H H 7 8.080 8.080 8.334 -0.254 19396 4001 1 32 . 1 1 8 8 CYS N N 8 115.638 115.638 117.732 -2.094 19396 4002 1 32 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.131 0.417 19396 4003 1 32 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.052 11.090 19396 4004 1 32 . 1 1 8 8 CYS H H 8 8.730 8.730 7.913 0.817 19396 4005 1 32 . 1 1 9 9 ALA N N 9 124.009 124.009 122.857 1.152 19396 4006 1 32 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.149 0.035 19396 4007 1 32 . 1 1 9 9 ALA C C 9 180.836 180.836 179.303 1.533 19396 4008 1 32 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.995 0.482 19396 4009 1 32 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.497 -0.327 19396 4010 1 32 . 1 1 9 9 ALA H H 9 7.736 7.736 7.493 0.243 19396 4011 1 32 . 1 1 10 10 ILE N N 10 119.305 119.305 119.034 0.271 19396 4012 1 32 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.705 0.034 19396 4013 1 32 . 1 1 10 10 ILE C C 10 177.596 177.596 177.767 -0.171 19396 4014 1 32 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.812 -0.278 19396 4015 1 32 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.906 0.317 19396 4016 1 32 . 1 1 10 10 ILE H H 10 8.101 8.101 7.307 0.794 19396 4017 1 32 . 1 1 11 11 ALA N N 11 121.508 121.508 122.498 -0.990 19396 4018 1 32 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.118 -0.176 19396 4019 1 32 . 1 1 11 11 ALA C C 11 179.663 179.663 179.153 0.510 19396 4020 1 32 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.362 -0.072 19396 4021 1 32 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.459 -0.025 19396 4022 1 32 . 1 1 11 11 ALA H H 11 7.999 7.999 8.672 -0.673 19396 4023 1 32 . 1 1 12 12 LYS N N 12 115.687 115.687 117.751 -2.064 19396 4024 1 32 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.000 0.059 19396 4025 1 32 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.138 0.049 19396 4026 1 32 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.332 0.268 19396 4027 1 32 . 1 1 12 12 LYS H H 12 8.058 8.058 8.025 0.033 19396 4028 1 32 . 1 1 13 13 LYS N N 13 120.587 120.587 120.456 0.131 19396 4029 1 32 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.088 0.055 19396 4030 1 32 . 1 1 13 13 LYS C C 13 178.141 178.141 178.635 -0.494 19396 4031 1 32 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.810 -0.125 19396 4032 1 32 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.560 0.040 19396 4033 1 32 . 1 1 13 13 LYS H H 13 7.826 7.826 7.536 0.290 19396 4034 1 32 . 1 1 14 14 LYS N N 14 116.430 116.430 115.797 0.633 19396 4035 1 32 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.342 -0.054 19396 4036 1 32 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.617 1.034 19396 4037 1 32 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.990 -0.011 19396 4038 1 32 . 1 1 14 14 LYS H H 14 8.025 8.025 8.099 -0.074 19396 4039 1 32 . 1 1 15 15 GLY N N 15 108.661 108.661 107.652 1.009 19396 4040 1 32 . 1 1 15 15 GLY C C 15 174.966 174.966 174.016 0.950 19396 4041 1 32 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.353 1.056 19396 4042 1 32 . 1 1 15 15 GLY H H 15 7.885 7.885 7.785 0.100 19396 4043 1 32 . 1 1 16 16 LYS N N 16 117.160 117.160 120.666 -3.506 19396 4044 1 32 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.663 -0.256 19396 4045 1 32 . 1 1 16 16 LYS C C 16 175.840 175.840 174.350 1.490 19396 4046 1 32 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.529 -0.785 19396 4047 1 32 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.955 -1.058 19396 4048 1 32 . 1 1 16 16 LYS H H 16 8.299 8.299 8.187 0.112 19396 4049 1 32 . 1 1 17 17 CYS N N 17 123.378 123.378 124.287 -0.909 19396 4050 1 32 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.644 -0.313 19396 4051 1 32 . 1 1 17 17 CYS C C 17 172.022 172.022 172.870 -0.848 19396 4052 1 32 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.817 -2.022 19396 4053 1 32 . 1 1 17 17 CYS CB C 17 39.930 39.930 27.416 12.514 19396 4054 1 32 . 1 1 17 17 CYS H H 17 8.691 8.691 8.707 -0.016 19396 4055 1 32 . 1 1 18 18 LYS N N 18 121.370 121.370 125.994 -4.624 19396 4056 1 32 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.450 0.088 19396 4057 1 32 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.098 -0.258 19396 4058 1 32 . 1 1 18 18 LYS H H 18 7.708 7.708 8.287 -0.579 19396 4059 1 32 . 1 1 19 19 GLY N N 19 111.141 111.141 110.363 0.778 19396 4060 1 32 . 1 1 19 19 GLY C C 19 174.356 174.356 173.471 0.885 19396 4061 1 32 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.250 -0.897 19396 4062 1 32 . 1 1 19 19 GLY H H 19 9.036 9.036 8.485 0.551 19396 4063 1 32 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.244 0.127 19396 4064 1 32 . 1 1 20 20 PRO C C 20 178.505 178.505 177.931 0.574 19396 4065 1 32 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.191 -0.253 19396 4066 1 32 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.813 0.443 19396 4067 1 32 . 1 1 21 21 LEU N N 21 116.727 116.727 117.783 -1.056 19396 4068 1 32 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.097 0.057 19396 4069 1 32 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.704 -0.809 19396 4070 1 32 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.679 0.293 19396 4071 1 32 . 1 1 21 21 LEU H H 21 7.625 7.625 7.857 -0.232 19396 4072 1 32 . 1 1 22 22 LYS N N 22 118.668 118.668 119.690 -1.022 19396 4073 1 32 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.024 0.039 19396 4074 1 32 . 1 1 22 22 LYS CA C 22 59.719 59.719 58.831 0.888 19396 4075 1 32 . 1 1 22 22 LYS CB C 22 32.167 32.167 31.683 0.484 19396 4076 1 32 . 1 1 22 22 LYS H H 22 7.583 7.583 7.476 0.107 19396 4077 1 32 . 1 1 23 23 LEU N N 23 116.195 116.195 117.136 -0.941 19396 4078 1 32 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.241 0.029 19396 4079 1 32 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.253 -0.433 19396 4080 1 32 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.792 0.152 19396 4081 1 32 . 1 1 23 23 LEU H H 23 7.330 7.330 7.495 -0.165 19396 4082 1 32 . 1 1 24 24 VAL N N 24 115.225 115.225 117.536 -2.311 19396 4083 1 32 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.927 0.055 19396 4084 1 32 . 1 1 24 24 VAL CA C 24 64.319 64.319 64.947 -0.628 19396 4085 1 32 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.525 0.733 19396 4086 1 32 . 1 1 24 24 VAL H H 24 7.326 7.326 7.480 -0.154 19396 4087 1 32 . 1 1 25 25 CYS N N 25 115.376 115.376 116.614 -1.238 19396 4088 1 32 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.693 -0.632 19396 4089 1 32 . 1 1 25 25 CYS C C 25 174.297 174.297 174.456 -0.159 19396 4090 1 32 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.161 10.072 19396 4091 1 32 . 1 1 25 25 CYS H H 25 8.258 8.258 8.453 -0.195 19396 4092 1 32 . 1 1 26 26 LYS N N 26 119.613 119.613 117.267 2.346 19396 4093 1 32 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.985 0.188 19396 4094 1 32 . 1 1 26 26 LYS C C 26 175.125 175.125 175.783 -0.658 19396 4095 1 32 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.966 -0.174 19396 4096 1 32 . 1 1 26 26 LYS H H 26 7.978 7.978 8.013 -0.035 19396 4097 1 33 . 1 1 2 2 LEU N N 2 122.568 122.568 123.206 -0.638 19396 4098 1 33 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.533 0.113 19396 4099 1 33 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.743 -0.340 19396 4100 1 33 . 1 1 2 2 LEU CB C 2 42.567 42.567 41.882 0.685 19396 4101 1 33 . 1 1 2 2 LEU H H 2 8.622 8.622 8.255 0.367 19396 4102 1 33 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.667 -0.167 19396 4103 1 33 . 1 1 3 3 PRO C C 3 177.335 177.335 177.539 -0.204 19396 4104 1 33 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.039 0.825 19396 4105 1 33 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.699 -0.293 19396 4106 1 33 . 1 1 4 4 ARG N N 4 124.305 124.305 121.866 2.439 19396 4107 1 33 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.947 0.047 19396 4108 1 33 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.532 -0.417 19396 4109 1 33 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.701 0.598 19396 4110 1 33 . 1 1 4 4 ARG H H 4 8.721 8.721 8.798 -0.077 19396 4111 1 33 . 1 1 5 5 LYS N N 5 117.116 117.116 118.205 -1.089 19396 4112 1 33 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.155 -0.107 19396 4113 1 33 . 1 1 5 5 LYS C C 5 178.657 178.657 177.585 1.072 19396 4114 1 33 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.540 0.623 19396 4115 1 33 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.764 0.871 19396 4116 1 33 . 1 1 5 5 LYS H H 5 8.686 8.686 8.352 0.334 19396 4117 1 33 . 1 1 6 6 ILE N N 6 119.465 119.465 119.036 0.429 19396 4118 1 33 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.003 0.004 19396 4119 1 33 . 1 1 6 6 ILE C C 6 180.162 180.162 177.546 2.616 19396 4120 1 33 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.492 -0.734 19396 4121 1 33 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.076 -1.191 19396 4122 1 33 . 1 1 6 6 ILE H H 6 7.364 7.364 7.574 -0.210 19396 4123 1 33 . 1 1 7 7 LEU N N 7 121.958 121.958 121.006 0.952 19396 4124 1 33 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.892 0.146 19396 4125 1 33 . 1 1 7 7 LEU C C 7 179.647 179.647 178.690 0.957 19396 4126 1 33 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.929 0.116 19396 4127 1 33 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.286 0.966 19396 4128 1 33 . 1 1 7 7 LEU H H 7 8.080 8.080 8.296 -0.216 19396 4129 1 33 . 1 1 8 8 CYS N N 8 115.638 115.638 118.950 -3.312 19396 4130 1 33 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.037 0.511 19396 4131 1 33 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.462 10.680 19396 4132 1 33 . 1 1 8 8 CYS H H 8 8.730 8.730 8.190 0.540 19396 4133 1 33 . 1 1 9 9 ALA N N 9 124.009 124.009 123.148 0.861 19396 4134 1 33 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.024 0.160 19396 4135 1 33 . 1 1 9 9 ALA C C 9 180.836 180.836 179.489 1.347 19396 4136 1 33 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.243 0.234 19396 4137 1 33 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.455 -0.284 19396 4138 1 33 . 1 1 9 9 ALA H H 9 7.736 7.736 7.656 0.080 19396 4139 1 33 . 1 1 10 10 ILE N N 10 119.305 119.305 118.930 0.375 19396 4140 1 33 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.680 0.059 19396 4141 1 33 . 1 1 10 10 ILE C C 10 177.596 177.596 178.077 -0.481 19396 4142 1 33 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.916 1.618 19396 4143 1 33 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.319 1.904 19396 4144 1 33 . 1 1 10 10 ILE H H 10 8.101 8.101 7.509 0.592 19396 4145 1 33 . 1 1 11 11 ALA N N 11 121.508 121.508 123.255 -1.747 19396 4146 1 33 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.106 -0.164 19396 4147 1 33 . 1 1 11 11 ALA C C 11 179.663 179.663 179.738 -0.075 19396 4148 1 33 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.319 -0.029 19396 4149 1 33 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.537 -0.103 19396 4150 1 33 . 1 1 11 11 ALA H H 11 7.999 7.999 8.625 -0.626 19396 4151 1 33 . 1 1 12 12 LYS N N 12 115.687 115.687 116.931 -1.244 19396 4152 1 33 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.089 -0.030 19396 4153 1 33 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.855 0.332 19396 4154 1 33 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.492 0.108 19396 4155 1 33 . 1 1 12 12 LYS H H 12 8.058 8.058 7.611 0.447 19396 4156 1 33 . 1 1 13 13 LYS N N 13 120.587 120.587 119.829 0.758 19396 4157 1 33 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.146 -0.003 19396 4158 1 33 . 1 1 13 13 LYS C C 13 178.141 178.141 178.555 -0.414 19396 4159 1 33 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.576 0.109 19396 4160 1 33 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.627 -0.027 19396 4161 1 33 . 1 1 13 13 LYS H H 13 7.826 7.826 7.751 0.075 19396 4162 1 33 . 1 1 14 14 LYS N N 14 116.430 116.430 116.823 -0.393 19396 4163 1 33 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.317 -0.029 19396 4164 1 33 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.759 0.892 19396 4165 1 33 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.675 0.304 19396 4166 1 33 . 1 1 14 14 LYS H H 14 8.025 8.025 8.208 -0.183 19396 4167 1 33 . 1 1 15 15 GLY N N 15 108.661 108.661 107.549 1.112 19396 4168 1 33 . 1 1 15 15 GLY C C 15 174.966 174.966 173.973 0.993 19396 4169 1 33 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.350 1.059 19396 4170 1 33 . 1 1 15 15 GLY H H 15 7.885 7.885 7.795 0.090 19396 4171 1 33 . 1 1 16 16 LYS N N 16 117.160 117.160 120.747 -3.587 19396 4172 1 33 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.681 -0.274 19396 4173 1 33 . 1 1 16 16 LYS C C 16 175.840 175.840 174.317 1.523 19396 4174 1 33 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.616 -0.872 19396 4175 1 33 . 1 1 16 16 LYS CB C 16 32.897 32.897 34.032 -1.135 19396 4176 1 33 . 1 1 16 16 LYS H H 16 8.299 8.299 8.071 0.228 19396 4177 1 33 . 1 1 17 17 CYS N N 17 123.378 123.378 123.785 -0.407 19396 4178 1 33 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.712 -0.381 19396 4179 1 33 . 1 1 17 17 CYS C C 17 172.022 172.022 172.158 -0.136 19396 4180 1 33 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.996 -2.201 19396 4181 1 33 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.708 11.222 19396 4182 1 33 . 1 1 17 17 CYS H H 17 8.691 8.691 8.737 -0.046 19396 4183 1 33 . 1 1 18 18 LYS N N 18 121.370 121.370 124.182 -2.812 19396 4184 1 33 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.457 0.081 19396 4185 1 33 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.483 0.357 19396 4186 1 33 . 1 1 18 18 LYS H H 18 7.708 7.708 7.950 -0.242 19396 4187 1 33 . 1 1 19 19 GLY N N 19 111.141 111.141 110.141 1.000 19396 4188 1 33 . 1 1 19 19 GLY C C 19 174.356 174.356 173.769 0.587 19396 4189 1 33 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.459 -1.106 19396 4190 1 33 . 1 1 19 19 GLY H H 19 9.036 9.036 8.638 0.398 19396 4191 1 33 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.325 0.046 19396 4192 1 33 . 1 1 20 20 PRO C C 20 178.505 178.505 178.311 0.194 19396 4193 1 33 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.403 -0.465 19396 4194 1 33 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.703 0.553 19396 4195 1 33 . 1 1 21 21 LEU N N 21 116.727 116.727 119.498 -2.771 19396 4196 1 33 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.111 0.043 19396 4197 1 33 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.355 -0.460 19396 4198 1 33 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.044 0.928 19396 4199 1 33 . 1 1 21 21 LEU H H 21 7.625 7.625 7.996 -0.371 19396 4200 1 33 . 1 1 22 22 LYS N N 22 118.668 118.668 119.974 -1.306 19396 4201 1 33 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.046 0.017 19396 4202 1 33 . 1 1 22 22 LYS CA C 22 59.719 59.719 58.732 0.987 19396 4203 1 33 . 1 1 22 22 LYS CB C 22 32.167 32.167 31.866 0.300 19396 4204 1 33 . 1 1 22 22 LYS H H 22 7.583 7.583 7.382 0.201 19396 4205 1 33 . 1 1 23 23 LEU N N 23 116.195 116.195 119.362 -3.167 19396 4206 1 33 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.108 0.162 19396 4207 1 33 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.608 -0.788 19396 4208 1 33 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.980 -0.036 19396 4209 1 33 . 1 1 23 23 LEU H H 23 7.330 7.330 7.647 -0.317 19396 4210 1 33 . 1 1 24 24 VAL N N 24 115.225 115.225 116.832 -1.607 19396 4211 1 33 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.814 0.168 19396 4212 1 33 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.784 -1.465 19396 4213 1 33 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.793 1.465 19396 4214 1 33 . 1 1 24 24 VAL H H 24 7.326 7.326 8.044 -0.718 19396 4215 1 33 . 1 1 25 25 CYS N N 25 115.376 115.376 116.137 -0.761 19396 4216 1 33 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.557 -0.496 19396 4217 1 33 . 1 1 25 25 CYS C C 25 174.297 174.297 173.819 0.478 19396 4218 1 33 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.855 10.378 19396 4219 1 33 . 1 1 25 25 CYS H H 25 8.258 8.258 8.303 -0.045 19396 4220 1 33 . 1 1 26 26 LYS N N 26 119.613 119.613 118.561 1.052 19396 4221 1 33 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.984 0.189 19396 4222 1 33 . 1 1 26 26 LYS C C 26 175.125 175.125 175.567 -0.442 19396 4223 1 33 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.066 -0.274 19396 4224 1 33 . 1 1 26 26 LYS H H 26 7.978 7.978 7.936 0.042 19396 4225 1 34 . 1 1 2 2 LEU N N 2 122.568 122.568 123.660 -1.092 19396 4226 1 34 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.481 0.165 19396 4227 1 34 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.773 -0.369 19396 4228 1 34 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.183 0.384 19396 4229 1 34 . 1 1 2 2 LEU H H 2 8.622 8.622 8.207 0.415 19396 4230 1 34 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.603 -0.103 19396 4231 1 34 . 1 1 3 3 PRO C C 3 177.335 177.335 177.932 -0.597 19396 4232 1 34 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.184 0.680 19396 4233 1 34 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.959 -0.554 19396 4234 1 34 . 1 1 4 4 ARG N N 4 124.305 124.305 121.363 2.942 19396 4235 1 34 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.882 0.112 19396 4236 1 34 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.353 -1.238 19396 4237 1 34 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.130 0.168 19396 4238 1 34 . 1 1 4 4 ARG H H 4 8.721 8.721 8.839 -0.119 19396 4239 1 34 . 1 1 5 5 LYS N N 5 117.116 117.116 116.617 0.499 19396 4240 1 34 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.166 -0.118 19396 4241 1 34 . 1 1 5 5 LYS C C 5 178.657 178.657 177.899 0.758 19396 4242 1 34 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.715 0.448 19396 4243 1 34 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.765 0.870 19396 4244 1 34 . 1 1 5 5 LYS H H 5 8.686 8.686 8.229 0.457 19396 4245 1 34 . 1 1 6 6 ILE N N 6 119.465 119.465 119.879 -0.414 19396 4246 1 34 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.983 0.024 19396 4247 1 34 . 1 1 6 6 ILE C C 6 180.162 180.162 178.019 2.143 19396 4248 1 34 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.958 -0.200 19396 4249 1 34 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.240 -0.355 19396 4250 1 34 . 1 1 6 6 ILE H H 6 7.364 7.364 7.506 -0.142 19396 4251 1 34 . 1 1 7 7 LEU N N 7 121.958 121.958 122.197 -0.239 19396 4252 1 34 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.005 0.033 19396 4253 1 34 . 1 1 7 7 LEU C C 7 179.647 179.647 178.362 1.285 19396 4254 1 34 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.611 0.434 19396 4255 1 34 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.464 0.788 19396 4256 1 34 . 1 1 7 7 LEU H H 7 8.080 8.080 8.455 -0.375 19396 4257 1 34 . 1 1 8 8 CYS N N 8 115.638 115.638 118.979 -3.341 19396 4258 1 34 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.980 0.568 19396 4259 1 34 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.118 11.024 19396 4260 1 34 . 1 1 8 8 CYS H H 8 8.730 8.730 8.210 0.520 19396 4261 1 34 . 1 1 9 9 ALA N N 9 124.009 124.009 122.445 1.564 19396 4262 1 34 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.994 0.190 19396 4263 1 34 . 1 1 9 9 ALA C C 9 180.836 180.836 179.325 1.511 19396 4264 1 34 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.249 0.228 19396 4265 1 34 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.253 -0.082 19396 4266 1 34 . 1 1 9 9 ALA H H 9 7.736 7.736 7.936 -0.200 19396 4267 1 34 . 1 1 10 10 ILE N N 10 119.305 119.305 118.358 0.947 19396 4268 1 34 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.804 -0.065 19396 4269 1 34 . 1 1 10 10 ILE C C 10 177.596 177.596 177.703 -0.107 19396 4270 1 34 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.963 0.571 19396 4271 1 34 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.997 0.226 19396 4272 1 34 . 1 1 10 10 ILE H H 10 8.101 8.101 7.402 0.699 19396 4273 1 34 . 1 1 11 11 ALA N N 11 121.508 121.508 123.140 -1.632 19396 4274 1 34 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.882 0.060 19396 4275 1 34 . 1 1 11 11 ALA C C 11 179.663 179.663 179.122 0.541 19396 4276 1 34 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.674 -0.384 19396 4277 1 34 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.119 0.316 19396 4278 1 34 . 1 1 11 11 ALA H H 11 7.999 7.999 8.488 -0.489 19396 4279 1 34 . 1 1 12 12 LYS N N 12 115.687 115.687 116.210 -0.523 19396 4280 1 34 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.181 -0.122 19396 4281 1 34 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.341 0.846 19396 4282 1 34 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.599 0.001 19396 4283 1 34 . 1 1 12 12 LYS H H 12 8.058 8.058 7.974 0.084 19396 4284 1 34 . 1 1 13 13 LYS N N 13 120.587 120.587 118.634 1.953 19396 4285 1 34 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.184 -0.041 19396 4286 1 34 . 1 1 13 13 LYS C C 13 178.141 178.141 178.363 -0.222 19396 4287 1 34 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.473 0.212 19396 4288 1 34 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.816 -0.216 19396 4289 1 34 . 1 1 13 13 LYS H H 13 7.826 7.826 7.524 0.302 19396 4290 1 34 . 1 1 14 14 LYS N N 14 116.430 116.430 116.762 -0.332 19396 4291 1 34 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.351 -0.063 19396 4292 1 34 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.879 0.772 19396 4293 1 34 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.964 0.015 19396 4294 1 34 . 1 1 14 14 LYS H H 14 8.025 8.025 7.837 0.188 19396 4295 1 34 . 1 1 15 15 GLY N N 15 108.661 108.661 107.748 0.913 19396 4296 1 34 . 1 1 15 15 GLY C C 15 174.966 174.966 174.996 -0.030 19396 4297 1 34 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.624 0.785 19396 4298 1 34 . 1 1 15 15 GLY H H 15 7.885 7.885 7.908 -0.023 19396 4299 1 34 . 1 1 16 16 LYS N N 16 117.160 117.160 117.924 -0.764 19396 4300 1 34 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.521 -0.114 19396 4301 1 34 . 1 1 16 16 LYS C C 16 175.840 175.840 176.472 -0.632 19396 4302 1 34 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.038 -0.294 19396 4303 1 34 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.463 0.434 19396 4304 1 34 . 1 1 16 16 LYS H H 16 8.299 8.299 8.203 0.096 19396 4305 1 34 . 1 1 17 17 CYS N N 17 123.378 123.378 120.909 2.469 19396 4306 1 34 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.405 -0.074 19396 4307 1 34 . 1 1 17 17 CYS C C 17 172.022 172.022 173.770 -1.748 19396 4308 1 34 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.656 -2.861 19396 4309 1 34 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.116 14.814 19396 4310 1 34 . 1 1 17 17 CYS H H 17 8.691 8.691 7.809 0.882 19396 4311 1 34 . 1 1 18 18 LYS N N 18 121.370 121.370 126.955 -5.585 19396 4312 1 34 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.509 0.029 19396 4313 1 34 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.128 1.712 19396 4314 1 34 . 1 1 18 18 LYS H H 18 7.708 7.708 8.370 -0.662 19396 4315 1 34 . 1 1 19 19 GLY N N 19 111.141 111.141 108.884 2.257 19396 4316 1 34 . 1 1 19 19 GLY C C 19 174.356 174.356 173.671 0.685 19396 4317 1 34 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.593 -0.240 19396 4318 1 34 . 1 1 19 19 GLY H H 19 9.036 9.036 8.393 0.643 19396 4319 1 34 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.272 0.099 19396 4320 1 34 . 1 1 20 20 PRO C C 20 178.505 178.505 178.093 0.412 19396 4321 1 34 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.194 -0.256 19396 4322 1 34 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.803 0.453 19396 4323 1 34 . 1 1 21 21 LEU N N 21 116.727 116.727 118.378 -1.651 19396 4324 1 34 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.046 0.108 19396 4325 1 34 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.680 -0.785 19396 4326 1 34 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.231 0.741 19396 4327 1 34 . 1 1 21 21 LEU H H 21 7.625 7.625 7.904 -0.279 19396 4328 1 34 . 1 1 22 22 LYS N N 22 118.668 118.668 118.412 0.256 19396 4329 1 34 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.047 0.016 19396 4330 1 34 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.428 0.291 19396 4331 1 34 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.157 0.010 19396 4332 1 34 . 1 1 22 22 LYS H H 22 7.583 7.583 7.629 -0.046 19396 4333 1 34 . 1 1 23 23 LEU N N 23 116.195 116.195 120.618 -4.423 19396 4334 1 34 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.204 0.066 19396 4335 1 34 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.593 -0.773 19396 4336 1 34 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.995 -0.050 19396 4337 1 34 . 1 1 23 23 LEU H H 23 7.330 7.330 7.511 -0.181 19396 4338 1 34 . 1 1 24 24 VAL N N 24 115.225 115.225 119.516 -4.291 19396 4339 1 34 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.810 0.172 19396 4340 1 34 . 1 1 24 24 VAL CA C 24 64.319 64.319 66.128 -1.809 19396 4341 1 34 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.227 1.031 19396 4342 1 34 . 1 1 24 24 VAL H H 24 7.326 7.326 8.420 -1.094 19396 4343 1 34 . 1 1 25 25 CYS N N 25 115.376 115.376 117.017 -1.641 19396 4344 1 34 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.587 -0.526 19396 4345 1 34 . 1 1 25 25 CYS C C 25 174.297 174.297 173.685 0.612 19396 4346 1 34 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.746 10.487 19396 4347 1 34 . 1 1 25 25 CYS H H 25 8.258 8.258 8.180 0.078 19396 4348 1 34 . 1 1 26 26 LYS N N 26 119.613 119.613 120.830 -1.217 19396 4349 1 34 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.067 0.106 19396 4350 1 34 . 1 1 26 26 LYS C C 26 175.125 175.125 175.231 -0.106 19396 4351 1 34 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.184 -0.392 19396 4352 1 34 . 1 1 26 26 LYS H H 26 7.978 7.978 8.266 -0.288 19396 4353 1 35 . 1 1 2 2 LEU N N 2 122.568 122.568 123.488 -0.920 19396 4354 1 35 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.474 0.172 19396 4355 1 35 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.617 -0.214 19396 4356 1 35 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.421 0.146 19396 4357 1 35 . 1 1 2 2 LEU H H 2 8.622 8.622 8.256 0.366 19396 4358 1 35 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.581 -0.081 19396 4359 1 35 . 1 1 3 3 PRO C C 3 177.335 177.335 177.429 -0.094 19396 4360 1 35 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.205 0.659 19396 4361 1 35 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.908 -0.502 19396 4362 1 35 . 1 1 4 4 ARG N N 4 124.305 124.305 122.583 1.722 19396 4363 1 35 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.915 0.079 19396 4364 1 35 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.374 -1.259 19396 4365 1 35 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.069 0.229 19396 4366 1 35 . 1 1 4 4 ARG H H 4 8.721 8.721 8.797 -0.076 19396 4367 1 35 . 1 1 5 5 LYS N N 5 117.116 117.116 119.577 -2.461 19396 4368 1 35 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.091 -0.043 19396 4369 1 35 . 1 1 5 5 LYS C C 5 178.657 178.657 178.043 0.614 19396 4370 1 35 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.912 0.251 19396 4371 1 35 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.026 0.609 19396 4372 1 35 . 1 1 5 5 LYS H H 5 8.686 8.686 8.260 0.426 19396 4373 1 35 . 1 1 6 6 ILE N N 6 119.465 119.465 118.626 0.839 19396 4374 1 35 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.004 0.003 19396 4375 1 35 . 1 1 6 6 ILE C C 6 180.162 180.162 177.621 2.541 19396 4376 1 35 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.628 -0.870 19396 4377 1 35 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.868 -0.983 19396 4378 1 35 . 1 1 6 6 ILE H H 6 7.364 7.364 7.570 -0.206 19396 4379 1 35 . 1 1 7 7 LEU N N 7 121.958 121.958 121.979 -0.021 19396 4380 1 35 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.951 0.087 19396 4381 1 35 . 1 1 7 7 LEU C C 7 179.647 179.647 178.576 1.071 19396 4382 1 35 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.916 0.129 19396 4383 1 35 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.115 1.137 19396 4384 1 35 . 1 1 7 7 LEU H H 7 8.080 8.080 8.478 -0.398 19396 4385 1 35 . 1 1 8 8 CYS N N 8 115.638 115.638 118.236 -2.598 19396 4386 1 35 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.987 0.561 19396 4387 1 35 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.478 10.664 19396 4388 1 35 . 1 1 8 8 CYS H H 8 8.730 8.730 8.254 0.476 19396 4389 1 35 . 1 1 9 9 ALA N N 9 124.009 124.009 123.174 0.835 19396 4390 1 35 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.022 0.162 19396 4391 1 35 . 1 1 9 9 ALA C C 9 180.836 180.836 179.493 1.343 19396 4392 1 35 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.296 0.181 19396 4393 1 35 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.377 -0.206 19396 4394 1 35 . 1 1 9 9 ALA H H 9 7.736 7.736 7.788 -0.052 19396 4395 1 35 . 1 1 10 10 ILE N N 10 119.305 119.305 118.921 0.384 19396 4396 1 35 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.716 0.023 19396 4397 1 35 . 1 1 10 10 ILE C C 10 177.596 177.596 178.016 -0.420 19396 4398 1 35 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.787 1.747 19396 4399 1 35 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.303 1.920 19396 4400 1 35 . 1 1 10 10 ILE H H 10 8.101 8.101 7.597 0.504 19396 4401 1 35 . 1 1 11 11 ALA N N 11 121.508 121.508 122.754 -1.246 19396 4402 1 35 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.938 0.004 19396 4403 1 35 . 1 1 11 11 ALA C C 11 179.663 179.663 179.753 -0.090 19396 4404 1 35 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.494 -0.204 19396 4405 1 35 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.090 0.344 19396 4406 1 35 . 1 1 11 11 ALA H H 11 7.999 7.999 8.519 -0.520 19396 4407 1 35 . 1 1 12 12 LYS N N 12 115.687 115.687 117.489 -1.802 19396 4408 1 35 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.066 -0.007 19396 4409 1 35 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.895 0.292 19396 4410 1 35 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.386 0.213 19396 4411 1 35 . 1 1 12 12 LYS H H 12 8.058 8.058 8.063 -0.005 19396 4412 1 35 . 1 1 13 13 LYS N N 13 120.587 120.587 118.221 2.366 19396 4413 1 35 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.161 -0.018 19396 4414 1 35 . 1 1 13 13 LYS C C 13 178.141 178.141 178.752 -0.611 19396 4415 1 35 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.512 0.173 19396 4416 1 35 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.841 -0.241 19396 4417 1 35 . 1 1 13 13 LYS H H 13 7.826 7.826 7.777 0.049 19396 4418 1 35 . 1 1 14 14 LYS N N 14 116.430 116.430 117.279 -0.849 19396 4419 1 35 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.403 -0.115 19396 4420 1 35 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.009 1.642 19396 4421 1 35 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.898 0.081 19396 4422 1 35 . 1 1 14 14 LYS H H 14 8.025 8.025 8.351 -0.326 19396 4423 1 35 . 1 1 15 15 GLY N N 15 108.661 108.661 107.034 1.627 19396 4424 1 35 . 1 1 15 15 GLY C C 15 174.966 174.966 174.615 0.351 19396 4425 1 35 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.849 0.560 19396 4426 1 35 . 1 1 15 15 GLY H H 15 7.885 7.885 7.929 -0.044 19396 4427 1 35 . 1 1 16 16 LYS N N 16 117.160 117.160 118.170 -1.010 19396 4428 1 35 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.508 -0.101 19396 4429 1 35 . 1 1 16 16 LYS C C 16 175.840 175.840 176.732 -0.892 19396 4430 1 35 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.312 -0.568 19396 4431 1 35 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.907 -0.010 19396 4432 1 35 . 1 1 16 16 LYS H H 16 8.299 8.299 7.792 0.507 19396 4433 1 35 . 1 1 17 17 CYS N N 17 123.378 123.378 121.544 1.834 19396 4434 1 35 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.281 0.050 19396 4435 1 35 . 1 1 17 17 CYS C C 17 172.022 172.022 173.319 -1.297 19396 4436 1 35 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.229 -2.434 19396 4437 1 35 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.429 15.501 19396 4438 1 35 . 1 1 17 17 CYS H H 17 8.691 8.691 7.768 0.923 19396 4439 1 35 . 1 1 18 18 LYS N N 18 121.370 121.370 124.768 -3.398 19396 4440 1 35 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.547 -0.009 19396 4441 1 35 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.889 0.951 19396 4442 1 35 . 1 1 18 18 LYS H H 18 7.708 7.708 7.929 -0.221 19396 4443 1 35 . 1 1 19 19 GLY N N 19 111.141 111.141 109.095 2.046 19396 4444 1 35 . 1 1 19 19 GLY C C 19 174.356 174.356 173.952 0.404 19396 4445 1 35 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.655 -0.302 19396 4446 1 35 . 1 1 19 19 GLY H H 19 9.036 9.036 8.428 0.608 19396 4447 1 35 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.256 0.115 19396 4448 1 35 . 1 1 20 20 PRO C C 20 178.505 178.505 177.982 0.523 19396 4449 1 35 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.025 -0.087 19396 4450 1 35 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.800 0.456 19396 4451 1 35 . 1 1 21 21 LEU N N 21 116.727 116.727 118.179 -1.452 19396 4452 1 35 . 1 1 21 21 LEU HA H 21 4.154 4.154 3.987 0.167 19396 4453 1 35 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.699 -0.804 19396 4454 1 35 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.840 0.132 19396 4455 1 35 . 1 1 21 21 LEU H H 21 7.625 7.625 7.846 -0.221 19396 4456 1 35 . 1 1 22 22 LYS N N 22 118.668 118.668 118.989 -0.321 19396 4457 1 35 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.037 0.026 19396 4458 1 35 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.171 0.548 19396 4459 1 35 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.091 0.076 19396 4460 1 35 . 1 1 22 22 LYS H H 22 7.583 7.583 7.692 -0.109 19396 4461 1 35 . 1 1 23 23 LEU N N 23 116.195 116.195 119.413 -3.218 19396 4462 1 35 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.140 0.130 19396 4463 1 35 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.188 -0.368 19396 4464 1 35 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.312 -0.368 19396 4465 1 35 . 1 1 23 23 LEU H H 23 7.330 7.330 7.468 -0.138 19396 4466 1 35 . 1 1 24 24 VAL N N 24 115.225 115.225 117.897 -2.672 19396 4467 1 35 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.671 0.311 19396 4468 1 35 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.519 -1.200 19396 4469 1 35 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.219 1.039 19396 4470 1 35 . 1 1 24 24 VAL H H 24 7.326 7.326 7.963 -0.637 19396 4471 1 35 . 1 1 25 25 CYS N N 25 115.376 115.376 116.941 -1.565 19396 4472 1 35 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.507 -0.446 19396 4473 1 35 . 1 1 25 25 CYS C C 25 174.297 174.297 173.863 0.434 19396 4474 1 35 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.706 10.527 19396 4475 1 35 . 1 1 25 25 CYS H H 25 8.258 8.258 8.510 -0.252 19396 4476 1 35 . 1 1 26 26 LYS N N 26 119.613 119.613 120.480 -0.867 19396 4477 1 35 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.071 0.102 19396 4478 1 35 . 1 1 26 26 LYS C C 26 175.125 175.125 175.079 0.046 19396 4479 1 35 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.321 -0.529 19396 4480 1 35 . 1 1 26 26 LYS H H 26 7.978 7.978 8.147 -0.169 19396 4481 1 36 . 1 1 2 2 LEU N N 2 122.568 122.568 123.425 -0.857 19396 4482 1 36 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.470 0.176 19396 4483 1 36 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.607 -0.203 19396 4484 1 36 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.438 0.129 19396 4485 1 36 . 1 1 2 2 LEU H H 2 8.622 8.622 8.261 0.361 19396 4486 1 36 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.564 -0.064 19396 4487 1 36 . 1 1 3 3 PRO C C 3 177.335 177.335 177.830 -0.495 19396 4488 1 36 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.272 0.592 19396 4489 1 36 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.765 -0.359 19396 4490 1 36 . 1 1 4 4 ARG N N 4 124.305 124.305 121.765 2.540 19396 4491 1 36 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.862 0.132 19396 4492 1 36 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.396 -1.281 19396 4493 1 36 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.092 0.206 19396 4494 1 36 . 1 1 4 4 ARG H H 4 8.721 8.721 8.842 -0.121 19396 4495 1 36 . 1 1 5 5 LYS N N 5 117.116 117.116 115.714 1.402 19396 4496 1 36 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.137 -0.089 19396 4497 1 36 . 1 1 5 5 LYS C C 5 178.657 178.657 177.443 1.214 19396 4498 1 36 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.604 0.559 19396 4499 1 36 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.852 0.783 19396 4500 1 36 . 1 1 5 5 LYS H H 5 8.686 8.686 8.157 0.529 19396 4501 1 36 . 1 1 6 6 ILE N N 6 119.465 119.465 117.476 1.989 19396 4502 1 36 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.166 -0.159 19396 4503 1 36 . 1 1 6 6 ILE C C 6 180.162 180.162 177.873 2.289 19396 4504 1 36 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.712 0.046 19396 4505 1 36 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.435 -1.550 19396 4506 1 36 . 1 1 6 6 ILE H H 6 7.364 7.364 7.670 -0.306 19396 4507 1 36 . 1 1 7 7 LEU N N 7 121.958 121.958 122.889 -0.931 19396 4508 1 36 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.002 0.036 19396 4509 1 36 . 1 1 7 7 LEU C C 7 179.647 179.647 178.177 1.470 19396 4510 1 36 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.665 0.380 19396 4511 1 36 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.418 0.834 19396 4512 1 36 . 1 1 7 7 LEU H H 7 8.080 8.080 8.561 -0.481 19396 4513 1 36 . 1 1 8 8 CYS N N 8 115.638 115.638 118.613 -2.975 19396 4514 1 36 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.013 0.535 19396 4515 1 36 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.131 11.011 19396 4516 1 36 . 1 1 8 8 CYS H H 8 8.730 8.730 8.062 0.668 19396 4517 1 36 . 1 1 9 9 ALA N N 9 124.009 124.009 122.544 1.465 19396 4518 1 36 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.046 0.138 19396 4519 1 36 . 1 1 9 9 ALA C C 9 180.836 180.836 179.234 1.602 19396 4520 1 36 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.348 0.129 19396 4521 1 36 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.329 -0.158 19396 4522 1 36 . 1 1 9 9 ALA H H 9 7.736 7.736 8.012 -0.276 19396 4523 1 36 . 1 1 10 10 ILE N N 10 119.305 119.305 118.944 0.361 19396 4524 1 36 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.831 -0.092 19396 4525 1 36 . 1 1 10 10 ILE C C 10 177.596 177.596 177.952 -0.356 19396 4526 1 36 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.285 2.249 19396 4527 1 36 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.540 1.683 19396 4528 1 36 . 1 1 10 10 ILE H H 10 8.101 8.101 7.238 0.863 19396 4529 1 36 . 1 1 11 11 ALA N N 11 121.508 121.508 123.154 -1.646 19396 4530 1 36 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.930 0.012 19396 4531 1 36 . 1 1 11 11 ALA C C 11 179.663 179.663 179.645 0.018 19396 4532 1 36 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.626 -0.336 19396 4533 1 36 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.296 0.138 19396 4534 1 36 . 1 1 11 11 ALA H H 11 7.999 7.999 8.536 -0.537 19396 4535 1 36 . 1 1 12 12 LYS N N 12 115.687 115.687 116.513 -0.826 19396 4536 1 36 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.118 -0.059 19396 4537 1 36 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.629 0.558 19396 4538 1 36 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.470 0.130 19396 4539 1 36 . 1 1 12 12 LYS H H 12 8.058 8.058 8.117 -0.059 19396 4540 1 36 . 1 1 13 13 LYS N N 13 120.587 120.587 119.988 0.599 19396 4541 1 36 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.134 0.009 19396 4542 1 36 . 1 1 13 13 LYS C C 13 178.141 178.141 178.388 -0.247 19396 4543 1 36 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.691 -0.006 19396 4544 1 36 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.656 -0.056 19396 4545 1 36 . 1 1 13 13 LYS H H 13 7.826 7.826 7.533 0.293 19396 4546 1 36 . 1 1 14 14 LYS N N 14 116.430 116.430 116.118 0.312 19396 4547 1 36 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.334 -0.046 19396 4548 1 36 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.811 0.840 19396 4549 1 36 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.951 0.028 19396 4550 1 36 . 1 1 14 14 LYS H H 14 8.025 8.025 8.009 0.016 19396 4551 1 36 . 1 1 15 15 GLY N N 15 108.661 108.661 107.976 0.685 19396 4552 1 36 . 1 1 15 15 GLY C C 15 174.966 174.966 174.864 0.102 19396 4553 1 36 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.739 0.670 19396 4554 1 36 . 1 1 15 15 GLY H H 15 7.885 7.885 7.888 -0.003 19396 4555 1 36 . 1 1 16 16 LYS N N 16 117.160 117.160 120.491 -3.331 19396 4556 1 36 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.379 0.028 19396 4557 1 36 . 1 1 16 16 LYS C C 16 175.840 175.840 176.375 -0.535 19396 4558 1 36 . 1 1 16 16 LYS CA C 16 54.744 54.744 56.118 -1.375 19396 4559 1 36 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.991 -0.094 19396 4560 1 36 . 1 1 16 16 LYS H H 16 8.299 8.299 8.111 0.188 19396 4561 1 36 . 1 1 17 17 CYS N N 17 123.378 123.378 121.739 1.639 19396 4562 1 36 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.233 0.098 19396 4563 1 36 . 1 1 17 17 CYS C C 17 172.022 172.022 173.505 -1.483 19396 4564 1 36 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.395 -3.600 19396 4565 1 36 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.524 15.406 19396 4566 1 36 . 1 1 17 17 CYS H H 17 8.691 8.691 7.637 1.054 19396 4567 1 36 . 1 1 18 18 LYS N N 18 121.370 121.370 126.782 -5.412 19396 4568 1 36 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.455 0.083 19396 4569 1 36 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.356 -0.516 19396 4570 1 36 . 1 1 18 18 LYS H H 18 7.708 7.708 7.941 -0.233 19396 4571 1 36 . 1 1 19 19 GLY N N 19 111.141 111.141 110.115 1.026 19396 4572 1 36 . 1 1 19 19 GLY C C 19 174.356 174.356 173.437 0.919 19396 4573 1 36 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.506 -1.153 19396 4574 1 36 . 1 1 19 19 GLY H H 19 9.036 9.036 8.426 0.610 19396 4575 1 36 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.268 0.103 19396 4576 1 36 . 1 1 20 20 PRO C C 20 178.505 178.505 178.190 0.315 19396 4577 1 36 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.594 -0.656 19396 4578 1 36 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.727 0.529 19396 4579 1 36 . 1 1 21 21 LEU N N 21 116.727 116.727 117.987 -1.260 19396 4580 1 36 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.066 0.088 19396 4581 1 36 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.850 -0.955 19396 4582 1 36 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.332 0.640 19396 4583 1 36 . 1 1 21 21 LEU H H 21 7.625 7.625 7.808 -0.183 19396 4584 1 36 . 1 1 22 22 LYS N N 22 118.668 118.668 119.644 -0.976 19396 4585 1 36 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.079 -0.016 19396 4586 1 36 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.349 0.370 19396 4587 1 36 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.166 0.001 19396 4588 1 36 . 1 1 22 22 LYS H H 22 7.583 7.583 7.478 0.105 19396 4589 1 36 . 1 1 23 23 LEU N N 23 116.195 116.195 120.042 -3.847 19396 4590 1 36 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.061 0.209 19396 4591 1 36 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.570 -0.750 19396 4592 1 36 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.907 0.037 19396 4593 1 36 . 1 1 23 23 LEU H H 23 7.330 7.330 7.843 -0.513 19396 4594 1 36 . 1 1 24 24 VAL N N 24 115.225 115.225 117.457 -2.232 19396 4595 1 36 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.725 0.257 19396 4596 1 36 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.609 -1.290 19396 4597 1 36 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.302 0.956 19396 4598 1 36 . 1 1 24 24 VAL H H 24 7.326 7.326 7.963 -0.637 19396 4599 1 36 . 1 1 25 25 CYS N N 25 115.376 115.376 115.568 -0.192 19396 4600 1 36 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.618 -0.557 19396 4601 1 36 . 1 1 25 25 CYS C C 25 174.297 174.297 174.352 -0.055 19396 4602 1 36 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.015 10.219 19396 4603 1 36 . 1 1 25 25 CYS H H 25 8.258 8.258 8.181 0.077 19396 4604 1 36 . 1 1 26 26 LYS N N 26 119.613 119.613 118.751 0.862 19396 4605 1 36 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.043 0.130 19396 4606 1 36 . 1 1 26 26 LYS C C 26 175.125 175.125 176.012 -0.887 19396 4607 1 36 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.829 -0.037 19396 4608 1 36 . 1 1 26 26 LYS H H 26 7.978 7.978 8.124 -0.146 19396 4609 1 37 . 1 1 2 2 LEU N N 2 122.568 122.568 123.084 -0.516 19396 4610 1 37 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.666 -0.020 19396 4611 1 37 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.523 -0.119 19396 4612 1 37 . 1 1 2 2 LEU CB C 2 42.567 42.567 44.091 -1.524 19396 4613 1 37 . 1 1 2 2 LEU H H 2 8.622 8.622 8.243 0.379 19396 4614 1 37 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.633 -0.133 19396 4615 1 37 . 1 1 3 3 PRO C C 3 177.335 177.335 177.401 -0.066 19396 4616 1 37 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.168 0.696 19396 4617 1 37 . 1 1 3 3 PRO CB C 3 32.406 32.406 33.028 -0.622 19396 4618 1 37 . 1 1 4 4 ARG N N 4 124.305 124.305 122.208 2.097 19396 4619 1 37 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.920 0.074 19396 4620 1 37 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.329 -1.214 19396 4621 1 37 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.004 0.294 19396 4622 1 37 . 1 1 4 4 ARG H H 4 8.721 8.721 8.821 -0.100 19396 4623 1 37 . 1 1 5 5 LYS N N 5 117.116 117.116 118.281 -1.165 19396 4624 1 37 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.135 -0.087 19396 4625 1 37 . 1 1 5 5 LYS C C 5 178.657 178.657 178.065 0.592 19396 4626 1 37 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.761 0.402 19396 4627 1 37 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.639 0.996 19396 4628 1 37 . 1 1 5 5 LYS H H 5 8.686 8.686 8.270 0.416 19396 4629 1 37 . 1 1 6 6 ILE N N 6 119.465 119.465 120.455 -0.990 19396 4630 1 37 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.975 0.032 19396 4631 1 37 . 1 1 6 6 ILE C C 6 180.162 180.162 177.500 2.662 19396 4632 1 37 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.636 0.122 19396 4633 1 37 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.432 -0.547 19396 4634 1 37 . 1 1 6 6 ILE H H 6 7.364 7.364 7.579 -0.215 19396 4635 1 37 . 1 1 7 7 LEU N N 7 121.958 121.958 121.220 0.738 19396 4636 1 37 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.872 0.166 19396 4637 1 37 . 1 1 7 7 LEU C C 7 179.647 179.647 178.549 1.098 19396 4638 1 37 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.764 0.280 19396 4639 1 37 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.927 0.325 19396 4640 1 37 . 1 1 7 7 LEU H H 7 8.080 8.080 8.314 -0.234 19396 4641 1 37 . 1 1 8 8 CYS N N 8 115.638 115.638 118.720 -3.082 19396 4642 1 37 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.997 0.551 19396 4643 1 37 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.522 10.620 19396 4644 1 37 . 1 1 8 8 CYS H H 8 8.730 8.730 8.449 0.281 19396 4645 1 37 . 1 1 9 9 ALA N N 9 124.009 124.009 123.036 0.973 19396 4646 1 37 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.987 0.197 19396 4647 1 37 . 1 1 9 9 ALA C C 9 180.836 180.836 179.635 1.201 19396 4648 1 37 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.199 0.278 19396 4649 1 37 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.361 -0.190 19396 4650 1 37 . 1 1 9 9 ALA H H 9 7.736 7.736 7.593 0.143 19396 4651 1 37 . 1 1 10 10 ILE N N 10 119.305 119.305 118.266 1.039 19396 4652 1 37 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.702 0.037 19396 4653 1 37 . 1 1 10 10 ILE C C 10 177.596 177.596 177.802 -0.206 19396 4654 1 37 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.707 -0.173 19396 4655 1 37 . 1 1 10 10 ILE CB C 10 38.223 38.223 37.839 0.384 19396 4656 1 37 . 1 1 10 10 ILE H H 10 8.101 8.101 7.351 0.750 19396 4657 1 37 . 1 1 11 11 ALA N N 11 121.508 121.508 122.635 -1.127 19396 4658 1 37 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.970 -0.028 19396 4659 1 37 . 1 1 11 11 ALA C C 11 179.663 179.663 179.069 0.594 19396 4660 1 37 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.697 -0.407 19396 4661 1 37 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.359 0.075 19396 4662 1 37 . 1 1 11 11 ALA H H 11 7.999 7.999 8.645 -0.646 19396 4663 1 37 . 1 1 12 12 LYS N N 12 115.687 115.687 115.573 0.114 19396 4664 1 37 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.216 -0.157 19396 4665 1 37 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.215 0.973 19396 4666 1 37 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.242 0.358 19396 4667 1 37 . 1 1 12 12 LYS H H 12 8.058 8.058 7.559 0.499 19396 4668 1 37 . 1 1 13 13 LYS N N 13 120.587 120.587 120.101 0.486 19396 4669 1 37 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.174 -0.031 19396 4670 1 37 . 1 1 13 13 LYS C C 13 178.141 178.141 178.326 -0.185 19396 4671 1 37 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.529 0.156 19396 4672 1 37 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.657 -0.057 19396 4673 1 37 . 1 1 13 13 LYS H H 13 7.826 7.826 7.577 0.249 19396 4674 1 37 . 1 1 14 14 LYS N N 14 116.430 116.430 116.443 -0.013 19396 4675 1 37 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.348 -0.060 19396 4676 1 37 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.701 0.950 19396 4677 1 37 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.084 -0.105 19396 4678 1 37 . 1 1 14 14 LYS H H 14 8.025 8.025 8.102 -0.077 19396 4679 1 37 . 1 1 15 15 GLY N N 15 108.661 108.661 106.969 1.692 19396 4680 1 37 . 1 1 15 15 GLY C C 15 174.966 174.966 175.197 -0.231 19396 4681 1 37 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.591 0.818 19396 4682 1 37 . 1 1 15 15 GLY H H 15 7.885 7.885 8.045 -0.160 19396 4683 1 37 . 1 1 16 16 LYS N N 16 117.160 117.160 118.432 -1.272 19396 4684 1 37 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.502 -0.095 19396 4685 1 37 . 1 1 16 16 LYS C C 16 175.840 175.840 176.176 -0.336 19396 4686 1 37 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.100 -0.356 19396 4687 1 37 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.700 0.197 19396 4688 1 37 . 1 1 16 16 LYS H H 16 8.299 8.299 8.373 -0.074 19396 4689 1 37 . 1 1 17 17 CYS N N 17 123.378 123.378 120.503 2.875 19396 4690 1 37 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.428 -0.097 19396 4691 1 37 . 1 1 17 17 CYS C C 17 172.022 172.022 173.678 -1.656 19396 4692 1 37 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.648 -2.853 19396 4693 1 37 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.471 14.459 19396 4694 1 37 . 1 1 17 17 CYS H H 17 8.691 8.691 7.868 0.823 19396 4695 1 37 . 1 1 18 18 LYS N N 18 121.370 121.370 126.587 -5.217 19396 4696 1 37 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.459 0.079 19396 4697 1 37 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.109 1.731 19396 4698 1 37 . 1 1 18 18 LYS H H 18 7.708 7.708 8.411 -0.703 19396 4699 1 37 . 1 1 19 19 GLY N N 19 111.141 111.141 108.903 2.238 19396 4700 1 37 . 1 1 19 19 GLY C C 19 174.356 174.356 173.651 0.705 19396 4701 1 37 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.753 -0.400 19396 4702 1 37 . 1 1 19 19 GLY H H 19 9.036 9.036 8.414 0.622 19396 4703 1 37 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.258 0.113 19396 4704 1 37 . 1 1 20 20 PRO C C 20 178.505 178.505 178.083 0.422 19396 4705 1 37 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.180 -0.242 19396 4706 1 37 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.791 0.465 19396 4707 1 37 . 1 1 21 21 LEU N N 21 116.727 116.727 118.218 -1.491 19396 4708 1 37 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.084 0.070 19396 4709 1 37 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.726 -0.831 19396 4710 1 37 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.686 0.286 19396 4711 1 37 . 1 1 21 21 LEU H H 21 7.625 7.625 7.925 -0.300 19396 4712 1 37 . 1 1 22 22 LYS N N 22 118.668 118.668 119.231 -0.563 19396 4713 1 37 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.005 0.058 19396 4714 1 37 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.495 0.224 19396 4715 1 37 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.113 0.054 19396 4716 1 37 . 1 1 22 22 LYS H H 22 7.583 7.583 7.418 0.165 19396 4717 1 37 . 1 1 23 23 LEU N N 23 116.195 116.195 118.899 -2.704 19396 4718 1 37 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.119 0.151 19396 4719 1 37 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.236 -0.416 19396 4720 1 37 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.800 0.144 19396 4721 1 37 . 1 1 23 23 LEU H H 23 7.330 7.330 7.465 -0.135 19396 4722 1 37 . 1 1 24 24 VAL N N 24 115.225 115.225 117.455 -2.230 19396 4723 1 37 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.694 0.288 19396 4724 1 37 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.567 -1.248 19396 4725 1 37 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.204 1.054 19396 4726 1 37 . 1 1 24 24 VAL H H 24 7.326 7.326 7.866 -0.540 19396 4727 1 37 . 1 1 25 25 CYS N N 25 115.376 115.376 117.206 -1.830 19396 4728 1 37 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.584 -0.523 19396 4729 1 37 . 1 1 25 25 CYS C C 25 174.297 174.297 174.185 0.112 19396 4730 1 37 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.644 10.589 19396 4731 1 37 . 1 1 25 25 CYS H H 25 8.258 8.258 8.409 -0.151 19396 4732 1 37 . 1 1 26 26 LYS N N 26 119.613 119.613 118.087 1.526 19396 4733 1 37 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.982 0.191 19396 4734 1 37 . 1 1 26 26 LYS C C 26 175.125 175.125 175.570 -0.445 19396 4735 1 37 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.988 -0.196 19396 4736 1 37 . 1 1 26 26 LYS H H 26 7.978 7.978 7.903 0.075 19396 4737 1 38 . 1 1 2 2 LEU N N 2 122.568 122.568 122.106 0.462 19396 4738 1 38 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.498 0.148 19396 4739 1 38 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.585 -0.181 19396 4740 1 38 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.402 0.165 19396 4741 1 38 . 1 1 2 2 LEU H H 2 8.622 8.622 8.261 0.361 19396 4742 1 38 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.555 -0.055 19396 4743 1 38 . 1 1 3 3 PRO C C 3 177.335 177.335 177.451 -0.116 19396 4744 1 38 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.684 0.180 19396 4745 1 38 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.632 -0.226 19396 4746 1 38 . 1 1 4 4 ARG N N 4 124.305 124.305 123.178 1.127 19396 4747 1 38 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.937 0.057 19396 4748 1 38 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.183 -1.068 19396 4749 1 38 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.125 0.173 19396 4750 1 38 . 1 1 4 4 ARG H H 4 8.721 8.721 8.772 -0.051 19396 4751 1 38 . 1 1 5 5 LYS N N 5 117.116 117.116 119.251 -2.135 19396 4752 1 38 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.082 -0.034 19396 4753 1 38 . 1 1 5 5 LYS C C 5 178.657 178.657 178.669 -0.012 19396 4754 1 38 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.575 -0.412 19396 4755 1 38 . 1 1 5 5 LYS CB C 5 32.635 32.635 32.103 0.532 19396 4756 1 38 . 1 1 5 5 LYS H H 5 8.686 8.686 8.322 0.364 19396 4757 1 38 . 1 1 6 6 ILE N N 6 119.465 119.465 120.242 -0.777 19396 4758 1 38 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.808 0.199 19396 4759 1 38 . 1 1 6 6 ILE C C 6 180.162 180.162 177.828 2.334 19396 4760 1 38 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.653 -0.895 19396 4761 1 38 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.019 -0.134 19396 4762 1 38 . 1 1 6 6 ILE H H 6 7.364 7.364 7.425 -0.061 19396 4763 1 38 . 1 1 7 7 LEU N N 7 121.958 121.958 120.536 1.422 19396 4764 1 38 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.886 0.152 19396 4765 1 38 . 1 1 7 7 LEU C C 7 179.647 179.647 179.014 0.633 19396 4766 1 38 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.310 -0.265 19396 4767 1 38 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.348 0.904 19396 4768 1 38 . 1 1 7 7 LEU H H 7 8.080 8.080 8.366 -0.286 19396 4769 1 38 . 1 1 8 8 CYS N N 8 115.638 115.638 117.989 -2.351 19396 4770 1 38 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.130 0.418 19396 4771 1 38 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.358 10.784 19396 4772 1 38 . 1 1 8 8 CYS H H 8 8.730 8.730 8.487 0.243 19396 4773 1 38 . 1 1 9 9 ALA N N 9 124.009 124.009 123.546 0.463 19396 4774 1 38 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.008 0.176 19396 4775 1 38 . 1 1 9 9 ALA C C 9 180.836 180.836 179.347 1.489 19396 4776 1 38 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.289 0.188 19396 4777 1 38 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.289 -0.118 19396 4778 1 38 . 1 1 9 9 ALA H H 9 7.736 7.736 7.594 0.142 19396 4779 1 38 . 1 1 10 10 ILE N N 10 119.305 119.305 118.853 0.452 19396 4780 1 38 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.679 0.060 19396 4781 1 38 . 1 1 10 10 ILE C C 10 177.596 177.596 177.988 -0.392 19396 4782 1 38 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.021 1.513 19396 4783 1 38 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.320 1.903 19396 4784 1 38 . 1 1 10 10 ILE H H 10 8.101 8.101 7.719 0.382 19396 4785 1 38 . 1 1 11 11 ALA N N 11 121.508 121.508 123.297 -1.789 19396 4786 1 38 . 1 1 11 11 ALA HA H 11 3.942 3.942 4.052 -0.110 19396 4787 1 38 . 1 1 11 11 ALA C C 11 179.663 179.663 179.768 -0.105 19396 4788 1 38 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.348 -0.058 19396 4789 1 38 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.461 -0.027 19396 4790 1 38 . 1 1 11 11 ALA H H 11 7.999 7.999 8.460 -0.461 19396 4791 1 38 . 1 1 12 12 LYS N N 12 115.687 115.687 117.019 -1.332 19396 4792 1 38 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.063 -0.004 19396 4793 1 38 . 1 1 12 12 LYS CA C 12 59.187 59.187 59.013 0.174 19396 4794 1 38 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.508 0.092 19396 4795 1 38 . 1 1 12 12 LYS H H 12 8.058 8.058 8.114 -0.056 19396 4796 1 38 . 1 1 13 13 LYS N N 13 120.587 120.587 120.090 0.497 19396 4797 1 38 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.130 0.013 19396 4798 1 38 . 1 1 13 13 LYS C C 13 178.141 178.141 178.670 -0.529 19396 4799 1 38 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.604 0.081 19396 4800 1 38 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.562 0.038 19396 4801 1 38 . 1 1 13 13 LYS H H 13 7.826 7.826 7.616 0.210 19396 4802 1 38 . 1 1 14 14 LYS N N 14 116.430 116.430 116.841 -0.411 19396 4803 1 38 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.307 -0.019 19396 4804 1 38 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.793 0.858 19396 4805 1 38 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.571 0.408 19396 4806 1 38 . 1 1 14 14 LYS H H 14 8.025 8.025 8.226 -0.201 19396 4807 1 38 . 1 1 15 15 GLY N N 15 108.661 108.661 107.330 1.331 19396 4808 1 38 . 1 1 15 15 GLY C C 15 174.966 174.966 174.050 0.916 19396 4809 1 38 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.306 1.103 19396 4810 1 38 . 1 1 15 15 GLY H H 15 7.885 7.885 7.779 0.106 19396 4811 1 38 . 1 1 16 16 LYS N N 16 117.160 117.160 120.621 -3.461 19396 4812 1 38 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.659 -0.252 19396 4813 1 38 . 1 1 16 16 LYS C C 16 175.840 175.840 174.379 1.461 19396 4814 1 38 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.564 -0.820 19396 4815 1 38 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.917 -1.020 19396 4816 1 38 . 1 1 16 16 LYS H H 16 8.299 8.299 8.183 0.116 19396 4817 1 38 . 1 1 17 17 CYS N N 17 123.378 123.378 124.162 -0.784 19396 4818 1 38 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.760 -0.429 19396 4819 1 38 . 1 1 17 17 CYS C C 17 172.022 172.022 172.904 -0.882 19396 4820 1 38 . 1 1 17 17 CYS CA C 17 56.795 56.795 57.840 -1.045 19396 4821 1 38 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.142 11.788 19396 4822 1 38 . 1 1 17 17 CYS H H 17 8.691 8.691 8.653 0.038 19396 4823 1 38 . 1 1 18 18 LYS N N 18 121.370 121.370 125.428 -4.058 19396 4824 1 38 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.473 0.065 19396 4825 1 38 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.824 1.016 19396 4826 1 38 . 1 1 18 18 LYS H H 18 7.708 7.708 8.056 -0.348 19396 4827 1 38 . 1 1 19 19 GLY N N 19 111.141 111.141 109.368 1.773 19396 4828 1 38 . 1 1 19 19 GLY C C 19 174.356 174.356 173.725 0.631 19396 4829 1 38 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.354 -1.001 19396 4830 1 38 . 1 1 19 19 GLY H H 19 9.036 9.036 8.591 0.445 19396 4831 1 38 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.318 0.053 19396 4832 1 38 . 1 1 20 20 PRO C C 20 178.505 178.505 178.306 0.199 19396 4833 1 38 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.410 -0.472 19396 4834 1 38 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.703 0.553 19396 4835 1 38 . 1 1 21 21 LEU N N 21 116.727 116.727 119.570 -2.843 19396 4836 1 38 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.115 0.039 19396 4837 1 38 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.420 -0.525 19396 4838 1 38 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.231 0.741 19396 4839 1 38 . 1 1 21 21 LEU H H 21 7.625 7.625 7.928 -0.303 19396 4840 1 38 . 1 1 22 22 LYS N N 22 118.668 118.668 119.540 -0.872 19396 4841 1 38 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.059 0.004 19396 4842 1 38 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.315 0.404 19396 4843 1 38 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.292 -0.125 19396 4844 1 38 . 1 1 22 22 LYS H H 22 7.583 7.583 7.368 0.215 19396 4845 1 38 . 1 1 23 23 LEU N N 23 116.195 116.195 120.012 -3.817 19396 4846 1 38 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.060 0.210 19396 4847 1 38 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.572 -0.752 19396 4848 1 38 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.904 0.040 19396 4849 1 38 . 1 1 23 23 LEU H H 23 7.330 7.330 7.873 -0.543 19396 4850 1 38 . 1 1 24 24 VAL N N 24 115.225 115.225 117.408 -2.183 19396 4851 1 38 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.731 0.251 19396 4852 1 38 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.572 -1.253 19396 4853 1 38 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.296 0.962 19396 4854 1 38 . 1 1 24 24 VAL H H 24 7.326 7.326 7.960 -0.634 19396 4855 1 38 . 1 1 25 25 CYS N N 25 115.376 115.376 115.675 -0.299 19396 4856 1 38 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.605 -0.544 19396 4857 1 38 . 1 1 25 25 CYS C C 25 174.297 174.297 174.508 -0.211 19396 4858 1 38 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.106 10.127 19396 4859 1 38 . 1 1 25 25 CYS H H 25 8.258 8.258 8.156 0.102 19396 4860 1 38 . 1 1 26 26 LYS N N 26 119.613 119.613 118.830 0.783 19396 4861 1 38 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.042 0.131 19396 4862 1 38 . 1 1 26 26 LYS C C 26 175.125 175.125 176.058 -0.933 19396 4863 1 38 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.806 -0.014 19396 4864 1 38 . 1 1 26 26 LYS H H 26 7.978 7.978 8.207 -0.229 19396 4865 1 39 . 1 1 2 2 LEU N N 2 122.568 122.568 122.663 -0.095 19396 4866 1 39 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.434 0.212 19396 4867 1 39 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.549 -0.145 19396 4868 1 39 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.392 0.175 19396 4869 1 39 . 1 1 2 2 LEU H H 2 8.622 8.622 8.237 0.385 19396 4870 1 39 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.474 0.026 19396 4871 1 39 . 1 1 3 3 PRO C C 3 177.335 177.335 177.521 -0.186 19396 4872 1 39 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.410 0.454 19396 4873 1 39 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.644 -0.238 19396 4874 1 39 . 1 1 4 4 ARG N N 4 124.305 124.305 123.578 0.727 19396 4875 1 39 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.966 0.028 19396 4876 1 39 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.730 -0.615 19396 4877 1 39 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.844 0.454 19396 4878 1 39 . 1 1 4 4 ARG H H 4 8.721 8.721 8.797 -0.076 19396 4879 1 39 . 1 1 5 5 LYS N N 5 117.116 117.116 119.059 -1.943 19396 4880 1 39 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.068 -0.020 19396 4881 1 39 . 1 1 5 5 LYS C C 5 178.657 178.657 178.993 -0.336 19396 4882 1 39 . 1 1 5 5 LYS CA C 5 59.163 59.163 59.721 -0.559 19396 4883 1 39 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.967 0.668 19396 4884 1 39 . 1 1 5 5 LYS H H 5 8.686 8.686 8.266 0.420 19396 4885 1 39 . 1 1 6 6 ILE N N 6 119.465 119.465 119.301 0.164 19396 4886 1 39 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.839 0.168 19396 4887 1 39 . 1 1 6 6 ILE C C 6 180.162 180.162 178.086 2.076 19396 4888 1 39 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.883 -1.125 19396 4889 1 39 . 1 1 6 6 ILE CB C 6 37.885 37.885 37.781 0.104 19396 4890 1 39 . 1 1 6 6 ILE H H 6 7.364 7.364 7.389 -0.025 19396 4891 1 39 . 1 1 7 7 LEU N N 7 121.958 121.958 121.287 0.671 19396 4892 1 39 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.995 0.043 19396 4893 1 39 . 1 1 7 7 LEU C C 7 179.647 179.647 178.531 1.116 19396 4894 1 39 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.845 0.200 19396 4895 1 39 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.517 0.735 19396 4896 1 39 . 1 1 7 7 LEU H H 7 8.080 8.080 8.510 -0.430 19396 4897 1 39 . 1 1 8 8 CYS N N 8 115.638 115.638 118.077 -2.439 19396 4898 1 39 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.055 0.493 19396 4899 1 39 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.151 10.991 19396 4900 1 39 . 1 1 8 8 CYS H H 8 8.730 8.730 8.215 0.515 19396 4901 1 39 . 1 1 9 9 ALA N N 9 124.009 124.009 123.415 0.594 19396 4902 1 39 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.000 0.184 19396 4903 1 39 . 1 1 9 9 ALA C C 9 180.836 180.836 179.329 1.507 19396 4904 1 39 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.374 0.103 19396 4905 1 39 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.324 -0.153 19396 4906 1 39 . 1 1 9 9 ALA H H 9 7.736 7.736 7.652 0.084 19396 4907 1 39 . 1 1 10 10 ILE N N 10 119.305 119.305 118.765 0.540 19396 4908 1 39 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.699 0.040 19396 4909 1 39 . 1 1 10 10 ILE C C 10 177.596 177.596 178.055 -0.459 19396 4910 1 39 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.887 1.647 19396 4911 1 39 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.310 1.913 19396 4912 1 39 . 1 1 10 10 ILE H H 10 8.101 8.101 7.532 0.569 19396 4913 1 39 . 1 1 11 11 ALA N N 11 121.508 121.508 122.471 -0.963 19396 4914 1 39 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.927 0.015 19396 4915 1 39 . 1 1 11 11 ALA C C 11 179.663 179.663 179.681 -0.018 19396 4916 1 39 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.585 -0.295 19396 4917 1 39 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.246 0.188 19396 4918 1 39 . 1 1 11 11 ALA H H 11 7.999 7.999 8.549 -0.550 19396 4919 1 39 . 1 1 12 12 LYS N N 12 115.687 115.687 117.006 -1.319 19396 4920 1 39 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.116 -0.057 19396 4921 1 39 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.730 0.457 19396 4922 1 39 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.539 0.061 19396 4923 1 39 . 1 1 12 12 LYS H H 12 8.058 8.058 8.040 0.018 19396 4924 1 39 . 1 1 13 13 LYS N N 13 120.587 120.587 119.683 0.904 19396 4925 1 39 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.130 0.013 19396 4926 1 39 . 1 1 13 13 LYS C C 13 178.141 178.141 178.555 -0.414 19396 4927 1 39 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.620 0.065 19396 4928 1 39 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.645 -0.045 19396 4929 1 39 . 1 1 13 13 LYS H H 13 7.826 7.826 7.777 0.049 19396 4930 1 39 . 1 1 14 14 LYS N N 14 116.430 116.430 116.767 -0.337 19396 4931 1 39 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.339 -0.051 19396 4932 1 39 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.686 0.965 19396 4933 1 39 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.674 0.305 19396 4934 1 39 . 1 1 14 14 LYS H H 14 8.025 8.025 8.174 -0.149 19396 4935 1 39 . 1 1 15 15 GLY N N 15 108.661 108.661 106.844 1.817 19396 4936 1 39 . 1 1 15 15 GLY C C 15 174.966 174.966 175.016 -0.050 19396 4937 1 39 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.690 0.719 19396 4938 1 39 . 1 1 15 15 GLY H H 15 7.885 7.885 7.668 0.217 19396 4939 1 39 . 1 1 16 16 LYS N N 16 117.160 117.160 119.091 -1.931 19396 4940 1 39 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.434 -0.027 19396 4941 1 39 . 1 1 16 16 LYS C C 16 175.840 175.840 176.343 -0.503 19396 4942 1 39 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.582 -0.838 19396 4943 1 39 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.584 -0.687 19396 4944 1 39 . 1 1 16 16 LYS H H 16 8.299 8.299 8.204 0.095 19396 4945 1 39 . 1 1 17 17 CYS N N 17 123.378 123.378 122.137 1.241 19396 4946 1 39 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.342 -0.011 19396 4947 1 39 . 1 1 17 17 CYS C C 17 172.022 172.022 173.841 -1.819 19396 4948 1 39 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.288 -3.494 19396 4949 1 39 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.899 14.031 19396 4950 1 39 . 1 1 17 17 CYS H H 17 8.691 8.691 7.728 0.963 19396 4951 1 39 . 1 1 18 18 LYS N N 18 121.370 121.370 127.271 -5.901 19396 4952 1 39 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.528 0.010 19396 4953 1 39 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.995 -0.155 19396 4954 1 39 . 1 1 18 18 LYS H H 18 7.708 7.708 8.178 -0.470 19396 4955 1 39 . 1 1 19 19 GLY N N 19 111.141 111.141 111.053 0.088 19396 4956 1 39 . 1 1 19 19 GLY C C 19 174.356 174.356 174.061 0.295 19396 4957 1 39 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.995 -1.642 19396 4958 1 39 . 1 1 19 19 GLY H H 19 9.036 9.036 8.577 0.459 19396 4959 1 39 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.313 0.058 19396 4960 1 39 . 1 1 20 20 PRO C C 20 178.505 178.505 178.360 0.145 19396 4961 1 39 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.480 -0.542 19396 4962 1 39 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.671 0.585 19396 4963 1 39 . 1 1 21 21 LEU N N 21 116.727 116.727 119.492 -2.765 19396 4964 1 39 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.118 0.036 19396 4965 1 39 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.233 -0.338 19396 4966 1 39 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.229 0.743 19396 4967 1 39 . 1 1 21 21 LEU H H 21 7.625 7.625 7.943 -0.318 19396 4968 1 39 . 1 1 22 22 LYS N N 22 118.668 118.668 119.679 -1.011 19396 4969 1 39 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.009 0.054 19396 4970 1 39 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.475 0.244 19396 4971 1 39 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.325 -0.158 19396 4972 1 39 . 1 1 22 22 LYS H H 22 7.583 7.583 7.366 0.217 19396 4973 1 39 . 1 1 23 23 LEU N N 23 116.195 116.195 120.046 -3.851 19396 4974 1 39 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.080 0.190 19396 4975 1 39 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.811 -0.991 19396 4976 1 39 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.941 0.003 19396 4977 1 39 . 1 1 23 23 LEU H H 23 7.330 7.330 7.827 -0.497 19396 4978 1 39 . 1 1 24 24 VAL N N 24 115.225 115.225 119.055 -3.830 19396 4979 1 39 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.799 0.183 19396 4980 1 39 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.654 -1.335 19396 4981 1 39 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.209 1.049 19396 4982 1 39 . 1 1 24 24 VAL H H 24 7.326 7.326 8.488 -1.162 19396 4983 1 39 . 1 1 25 25 CYS N N 25 115.376 115.376 116.202 -0.826 19396 4984 1 39 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.632 -0.571 19396 4985 1 39 . 1 1 25 25 CYS C C 25 174.297 174.297 174.044 0.253 19396 4986 1 39 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.889 10.344 19396 4987 1 39 . 1 1 25 25 CYS H H 25 8.258 8.258 8.079 0.179 19396 4988 1 39 . 1 1 26 26 LYS N N 26 119.613 119.613 120.129 -0.516 19396 4989 1 39 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.105 0.068 19396 4990 1 39 . 1 1 26 26 LYS C C 26 175.125 175.125 174.483 0.642 19396 4991 1 39 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.974 -0.182 19396 4992 1 39 . 1 1 26 26 LYS H H 26 7.978 7.978 7.884 0.094 19396 4993 1 40 . 1 1 2 2 LEU N N 2 122.568 122.568 122.514 0.054 19396 4994 1 40 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.442 0.204 19396 4995 1 40 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.542 -0.138 19396 4996 1 40 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.434 0.133 19396 4997 1 40 . 1 1 2 2 LEU H H 2 8.622 8.622 8.224 0.398 19396 4998 1 40 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.420 0.080 19396 4999 1 40 . 1 1 3 3 PRO C C 3 177.335 177.335 176.898 0.437 19396 5000 1 40 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.541 0.323 19396 5001 1 40 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.661 -0.255 19396 5002 1 40 . 1 1 4 4 ARG N N 4 124.305 124.305 126.301 -1.996 19396 5003 1 40 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.937 0.057 19396 5004 1 40 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.308 -0.193 19396 5005 1 40 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.702 0.596 19396 5006 1 40 . 1 1 4 4 ARG H H 4 8.721 8.721 8.765 -0.044 19396 5007 1 40 . 1 1 5 5 LYS N N 5 117.116 117.116 117.239 -0.123 19396 5008 1 40 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.157 -0.109 19396 5009 1 40 . 1 1 5 5 LYS C C 5 178.657 178.657 177.471 1.186 19396 5010 1 40 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.472 0.691 19396 5011 1 40 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.832 0.803 19396 5012 1 40 . 1 1 5 5 LYS H H 5 8.686 8.686 8.253 0.433 19396 5013 1 40 . 1 1 6 6 ILE N N 6 119.465 119.465 119.051 0.414 19396 5014 1 40 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.993 0.014 19396 5015 1 40 . 1 1 6 6 ILE C C 6 180.162 180.162 178.057 2.105 19396 5016 1 40 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.679 -0.921 19396 5017 1 40 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.655 -0.770 19396 5018 1 40 . 1 1 6 6 ILE H H 6 7.364 7.364 7.556 -0.192 19396 5019 1 40 . 1 1 7 7 LEU N N 7 121.958 121.958 122.485 -0.527 19396 5020 1 40 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.999 0.039 19396 5021 1 40 . 1 1 7 7 LEU C C 7 179.647 179.647 178.269 1.378 19396 5022 1 40 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.828 0.217 19396 5023 1 40 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.345 0.907 19396 5024 1 40 . 1 1 7 7 LEU H H 7 8.080 8.080 8.368 -0.288 19396 5025 1 40 . 1 1 8 8 CYS N N 8 115.638 115.638 117.587 -1.949 19396 5026 1 40 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.148 0.400 19396 5027 1 40 . 1 1 8 8 CYS CB C 8 36.142 36.142 24.993 11.149 19396 5028 1 40 . 1 1 8 8 CYS H H 8 8.730 8.730 8.133 0.596 19396 5029 1 40 . 1 1 9 9 ALA N N 9 124.009 124.009 121.950 2.059 19396 5030 1 40 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.135 0.049 19396 5031 1 40 . 1 1 9 9 ALA C C 9 180.836 180.836 178.440 2.396 19396 5032 1 40 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.813 0.664 19396 5033 1 40 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.184 -0.014 19396 5034 1 40 . 1 1 9 9 ALA H H 9 7.736 7.736 7.743 -0.007 19396 5035 1 40 . 1 1 10 10 ILE N N 10 119.305 119.305 117.198 2.107 19396 5036 1 40 . 1 1 10 10 ILE HA H 10 3.739 3.739 4.102 -0.363 19396 5037 1 40 . 1 1 10 10 ILE C C 10 177.596 177.596 177.607 -0.011 19396 5038 1 40 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.248 1.286 19396 5039 1 40 . 1 1 10 10 ILE CB C 10 38.223 38.223 38.794 -0.571 19396 5040 1 40 . 1 1 10 10 ILE H H 10 8.101 8.101 7.499 0.602 19396 5041 1 40 . 1 1 11 11 ALA N N 11 121.508 121.508 123.322 -1.814 19396 5042 1 40 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.974 -0.032 19396 5043 1 40 . 1 1 11 11 ALA C C 11 179.663 179.663 179.484 0.179 19396 5044 1 40 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.708 -0.418 19396 5045 1 40 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.349 0.085 19396 5046 1 40 . 1 1 11 11 ALA H H 11 7.999 7.999 8.645 -0.646 19396 5047 1 40 . 1 1 12 12 LYS N N 12 115.687 115.687 116.256 -0.569 19396 5048 1 40 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.202 -0.143 19396 5049 1 40 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.361 0.827 19396 5050 1 40 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.564 0.036 19396 5051 1 40 . 1 1 12 12 LYS H H 12 8.058 8.058 7.719 0.339 19396 5052 1 40 . 1 1 13 13 LYS N N 13 120.587 120.587 118.998 1.589 19396 5053 1 40 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.170 -0.027 19396 5054 1 40 . 1 1 13 13 LYS C C 13 178.141 178.141 178.100 0.041 19396 5055 1 40 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.416 0.269 19396 5056 1 40 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.544 0.056 19396 5057 1 40 . 1 1 13 13 LYS H H 13 7.826 7.826 7.819 0.007 19396 5058 1 40 . 1 1 14 14 LYS N N 14 116.430 116.430 116.721 -0.291 19396 5059 1 40 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.328 -0.040 19396 5060 1 40 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.944 0.707 19396 5061 1 40 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.927 0.052 19396 5062 1 40 . 1 1 14 14 LYS H H 14 8.025 8.025 8.113 -0.088 19396 5063 1 40 . 1 1 15 15 GLY N N 15 108.661 108.661 106.716 1.945 19396 5064 1 40 . 1 1 15 15 GLY C C 15 174.966 174.966 175.298 -0.332 19396 5065 1 40 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.624 0.785 19396 5066 1 40 . 1 1 15 15 GLY H H 15 7.885 7.885 7.796 0.089 19396 5067 1 40 . 1 1 16 16 LYS N N 16 117.160 117.160 118.753 -1.593 19396 5068 1 40 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.411 -0.004 19396 5069 1 40 . 1 1 16 16 LYS C C 16 175.840 175.840 176.811 -0.971 19396 5070 1 40 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.528 -0.784 19396 5071 1 40 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.733 0.164 19396 5072 1 40 . 1 1 16 16 LYS H H 16 8.299 8.299 7.992 0.307 19396 5073 1 40 . 1 1 17 17 CYS N N 17 123.378 123.378 122.226 1.152 19396 5074 1 40 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.213 0.118 19396 5075 1 40 . 1 1 17 17 CYS C C 17 172.022 172.022 173.496 -1.474 19396 5076 1 40 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.301 -3.506 19396 5077 1 40 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.207 14.723 19396 5078 1 40 . 1 1 17 17 CYS H H 17 8.691 8.691 7.571 1.120 19396 5079 1 40 . 1 1 18 18 LYS N N 18 121.370 121.370 126.665 -5.295 19396 5080 1 40 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.451 0.087 19396 5081 1 40 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.329 -0.489 19396 5082 1 40 . 1 1 18 18 LYS H H 18 7.708 7.708 8.281 -0.573 19396 5083 1 40 . 1 1 19 19 GLY N N 19 111.141 111.141 109.410 1.731 19396 5084 1 40 . 1 1 19 19 GLY C C 19 174.356 174.356 173.727 0.629 19396 5085 1 40 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.299 -0.946 19396 5086 1 40 . 1 1 19 19 GLY H H 19 9.036 9.036 8.465 0.571 19396 5087 1 40 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.342 0.029 19396 5088 1 40 . 1 1 20 20 PRO C C 20 178.505 178.505 178.183 0.322 19396 5089 1 40 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.995 -0.057 19396 5090 1 40 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.805 0.451 19396 5091 1 40 . 1 1 21 21 LEU N N 21 116.727 116.727 120.108 -3.381 19396 5092 1 40 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.096 0.058 19396 5093 1 40 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.614 -0.719 19396 5094 1 40 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.611 0.361 19396 5095 1 40 . 1 1 21 21 LEU H H 21 7.625 7.625 7.986 -0.361 19396 5096 1 40 . 1 1 22 22 LYS N N 22 118.668 118.668 119.296 -0.628 19396 5097 1 40 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.043 0.020 19396 5098 1 40 . 1 1 22 22 LYS CA C 22 59.719 59.719 58.855 0.864 19396 5099 1 40 . 1 1 22 22 LYS CB C 22 32.167 32.167 31.565 0.602 19396 5100 1 40 . 1 1 22 22 LYS H H 22 7.583 7.583 7.517 0.066 19396 5101 1 40 . 1 1 23 23 LEU N N 23 116.195 116.195 119.769 -3.574 19396 5102 1 40 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.180 0.090 19396 5103 1 40 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.782 -0.962 19396 5104 1 40 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.299 0.645 19396 5105 1 40 . 1 1 23 23 LEU H H 23 7.330 7.330 7.515 -0.185 19396 5106 1 40 . 1 1 24 24 VAL N N 24 115.225 115.225 120.140 -4.915 19396 5107 1 40 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.610 0.372 19396 5108 1 40 . 1 1 24 24 VAL CA C 24 64.319 64.319 66.993 -2.675 19396 5109 1 40 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.886 1.372 19396 5110 1 40 . 1 1 24 24 VAL H H 24 7.326 7.326 8.481 -1.155 19396 5111 1 40 . 1 1 25 25 CYS N N 25 115.376 115.376 116.327 -0.951 19396 5112 1 40 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.719 -0.658 19396 5113 1 40 . 1 1 25 25 CYS C C 25 174.297 174.297 173.901 0.396 19396 5114 1 40 . 1 1 25 25 CYS CB C 25 38.233 38.233 26.759 11.474 19396 5115 1 40 . 1 1 25 25 CYS H H 25 8.258 8.258 8.458 -0.200 19396 5116 1 40 . 1 1 26 26 LYS N N 26 119.613 119.613 121.996 -2.383 19396 5117 1 40 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.031 0.142 19396 5118 1 40 . 1 1 26 26 LYS C C 26 175.125 175.125 175.165 -0.040 19396 5119 1 40 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.022 -0.230 19396 5120 1 40 . 1 1 26 26 LYS H H 26 7.978 7.978 7.559 0.419 19396 5121 1 41 . 1 1 2 2 LEU N N 2 122.568 122.568 121.895 0.673 19396 5122 1 41 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.494 0.152 19396 5123 1 41 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.560 -0.156 19396 5124 1 41 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.447 0.120 19396 5125 1 41 . 1 1 2 2 LEU H H 2 8.622 8.622 8.262 0.360 19396 5126 1 41 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.485 0.015 19396 5127 1 41 . 1 1 3 3 PRO C C 3 177.335 177.335 177.486 -0.151 19396 5128 1 41 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.945 -0.081 19396 5129 1 41 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.587 -0.182 19396 5130 1 41 . 1 1 4 4 ARG N N 4 124.305 124.305 123.696 0.609 19396 5131 1 41 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.923 0.071 19396 5132 1 41 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.344 -1.229 19396 5133 1 41 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.048 0.250 19396 5134 1 41 . 1 1 4 4 ARG H H 4 8.721 8.721 8.765 -0.044 19396 5135 1 41 . 1 1 5 5 LYS N N 5 117.116 117.116 116.913 0.203 19396 5136 1 41 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.141 -0.093 19396 5137 1 41 . 1 1 5 5 LYS C C 5 178.657 178.657 178.005 0.652 19396 5138 1 41 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.895 0.268 19396 5139 1 41 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.752 0.883 19396 5140 1 41 . 1 1 5 5 LYS H H 5 8.686 8.686 8.401 0.285 19396 5141 1 41 . 1 1 6 6 ILE N N 6 119.465 119.465 119.677 -0.212 19396 5142 1 41 . 1 1 6 6 ILE HA H 6 4.007 4.007 3.919 0.088 19396 5143 1 41 . 1 1 6 6 ILE C C 6 180.162 180.162 178.352 1.810 19396 5144 1 41 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.669 -0.910 19396 5145 1 41 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.621 -0.736 19396 5146 1 41 . 1 1 6 6 ILE H H 6 7.364 7.364 7.511 -0.147 19396 5147 1 41 . 1 1 7 7 LEU N N 7 121.958 121.958 121.574 0.384 19396 5148 1 41 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.882 0.156 19396 5149 1 41 . 1 1 7 7 LEU C C 7 179.647 179.647 178.531 1.116 19396 5150 1 41 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.036 0.009 19396 5151 1 41 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.350 0.902 19396 5152 1 41 . 1 1 7 7 LEU H H 7 8.080 8.080 8.392 -0.312 19396 5153 1 41 . 1 1 8 8 CYS N N 8 115.638 115.638 118.173 -2.535 19396 5154 1 41 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.093 0.455 19396 5155 1 41 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.255 10.887 19396 5156 1 41 . 1 1 8 8 CYS H H 8 8.730 8.730 8.392 0.338 19396 5157 1 41 . 1 1 9 9 ALA N N 9 124.009 124.009 121.846 2.163 19396 5158 1 41 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.108 0.076 19396 5159 1 41 . 1 1 9 9 ALA C C 9 180.836 180.836 179.111 1.725 19396 5160 1 41 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.907 0.570 19396 5161 1 41 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.337 -0.166 19396 5162 1 41 . 1 1 9 9 ALA H H 9 7.736 7.736 7.770 -0.034 19396 5163 1 41 . 1 1 10 10 ILE N N 10 119.305 119.305 118.886 0.419 19396 5164 1 41 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.898 -0.159 19396 5165 1 41 . 1 1 10 10 ILE C C 10 177.596 177.596 177.793 -0.197 19396 5166 1 41 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.088 2.446 19396 5167 1 41 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.757 1.466 19396 5168 1 41 . 1 1 10 10 ILE H H 10 8.101 8.101 7.249 0.852 19396 5169 1 41 . 1 1 11 11 ALA N N 11 121.508 121.508 123.151 -1.643 19396 5170 1 41 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.929 0.013 19396 5171 1 41 . 1 1 11 11 ALA C C 11 179.663 179.663 179.642 0.021 19396 5172 1 41 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.726 -0.436 19396 5173 1 41 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.096 0.338 19396 5174 1 41 . 1 1 11 11 ALA H H 11 7.999 7.999 8.599 -0.600 19396 5175 1 41 . 1 1 12 12 LYS N N 12 115.687 115.687 117.401 -1.714 19396 5176 1 41 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.120 -0.061 19396 5177 1 41 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.738 0.449 19396 5178 1 41 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.543 0.057 19396 5179 1 41 . 1 1 12 12 LYS H H 12 8.058 8.058 8.102 -0.044 19396 5180 1 41 . 1 1 13 13 LYS N N 13 120.587 120.587 118.277 2.310 19396 5181 1 41 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.170 -0.027 19396 5182 1 41 . 1 1 13 13 LYS C C 13 178.141 178.141 178.302 -0.161 19396 5183 1 41 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.558 0.127 19396 5184 1 41 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.674 -0.074 19396 5185 1 41 . 1 1 13 13 LYS H H 13 7.826 7.826 7.640 0.186 19396 5186 1 41 . 1 1 14 14 LYS N N 14 116.430 116.430 116.671 -0.241 19396 5187 1 41 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.307 -0.019 19396 5188 1 41 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.849 0.802 19396 5189 1 41 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.078 -0.099 19396 5190 1 41 . 1 1 14 14 LYS H H 14 8.025 8.025 8.059 -0.034 19396 5191 1 41 . 1 1 15 15 GLY N N 15 108.661 108.661 106.827 1.834 19396 5192 1 41 . 1 1 15 15 GLY C C 15 174.966 174.966 175.060 -0.094 19396 5193 1 41 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.627 0.782 19396 5194 1 41 . 1 1 15 15 GLY H H 15 7.885 7.885 7.996 -0.111 19396 5195 1 41 . 1 1 16 16 LYS N N 16 117.160 117.160 118.705 -1.545 19396 5196 1 41 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.519 -0.112 19396 5197 1 41 . 1 1 16 16 LYS C C 16 175.840 175.840 176.992 -1.152 19396 5198 1 41 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.909 -1.165 19396 5199 1 41 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.515 -0.618 19396 5200 1 41 . 1 1 16 16 LYS H H 16 8.299 8.299 8.386 -0.087 19396 5201 1 41 . 1 1 17 17 CYS N N 17 123.378 123.378 119.768 3.610 19396 5202 1 41 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.489 -0.158 19396 5203 1 41 . 1 1 17 17 CYS C C 17 172.022 172.022 174.696 -2.674 19396 5204 1 41 . 1 1 17 17 CYS CA C 17 56.795 56.795 57.416 -0.621 19396 5205 1 41 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.774 15.156 19396 5206 1 41 . 1 1 17 17 CYS H H 17 8.691 8.691 7.780 0.911 19396 5207 1 41 . 1 1 18 18 LYS N N 18 121.370 121.370 124.267 -2.897 19396 5208 1 41 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.465 0.073 19396 5209 1 41 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.030 -0.190 19396 5210 1 41 . 1 1 18 18 LYS H H 18 7.708 7.708 7.840 -0.132 19396 5211 1 41 . 1 1 19 19 GLY N N 19 111.141 111.141 110.007 1.134 19396 5212 1 41 . 1 1 19 19 GLY C C 19 174.356 174.356 173.712 0.644 19396 5213 1 41 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.233 -0.879 19396 5214 1 41 . 1 1 19 19 GLY H H 19 9.036 9.036 8.501 0.535 19396 5215 1 41 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.344 0.027 19396 5216 1 41 . 1 1 20 20 PRO C C 20 178.505 178.505 178.052 0.453 19396 5217 1 41 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.931 0.007 19396 5218 1 41 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.799 0.457 19396 5219 1 41 . 1 1 21 21 LEU N N 21 116.727 116.727 120.068 -3.341 19396 5220 1 41 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.128 0.026 19396 5221 1 41 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.249 -0.354 19396 5222 1 41 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.722 0.250 19396 5223 1 41 . 1 1 21 21 LEU H H 21 7.625 7.625 7.874 -0.249 19396 5224 1 41 . 1 1 22 22 LYS N N 22 118.668 118.668 119.625 -0.957 19396 5225 1 41 . 1 1 22 22 LYS HA H 22 4.063 4.063 3.974 0.089 19396 5226 1 41 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.815 -0.096 19396 5227 1 41 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.121 0.046 19396 5228 1 41 . 1 1 22 22 LYS H H 22 7.583 7.583 7.421 0.162 19396 5229 1 41 . 1 1 23 23 LEU N N 23 116.195 116.195 118.933 -2.738 19396 5230 1 41 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.209 0.061 19396 5231 1 41 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.528 -0.708 19396 5232 1 41 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.759 0.185 19396 5233 1 41 . 1 1 23 23 LEU H H 23 7.330 7.330 7.570 -0.240 19396 5234 1 41 . 1 1 24 24 VAL N N 24 115.225 115.225 118.452 -3.227 19396 5235 1 41 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.804 0.178 19396 5236 1 41 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.965 -1.646 19396 5237 1 41 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.208 1.050 19396 5238 1 41 . 1 1 24 24 VAL H H 24 7.326 7.326 8.023 -0.697 19396 5239 1 41 . 1 1 25 25 CYS N N 25 115.376 115.376 116.341 -0.965 19396 5240 1 41 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.447 -0.386 19396 5241 1 41 . 1 1 25 25 CYS C C 25 174.297 174.297 174.147 0.150 19396 5242 1 41 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.199 11.034 19396 5243 1 41 . 1 1 25 25 CYS H H 25 8.258 8.258 8.166 0.092 19396 5244 1 41 . 1 1 26 26 LYS N N 26 119.613 119.613 118.780 0.833 19396 5245 1 41 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.961 0.212 19396 5246 1 41 . 1 1 26 26 LYS C C 26 175.125 175.125 174.963 0.162 19396 5247 1 41 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.201 -0.409 19396 5248 1 41 . 1 1 26 26 LYS H H 26 7.978 7.978 7.943 0.035 19396 5249 1 42 . 1 1 2 2 LEU N N 2 122.568 122.568 123.456 -0.888 19396 5250 1 42 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.474 0.172 19396 5251 1 42 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.605 -0.201 19396 5252 1 42 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.393 0.174 19396 5253 1 42 . 1 1 2 2 LEU H H 2 8.622 8.622 8.260 0.362 19396 5254 1 42 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.542 -0.042 19396 5255 1 42 . 1 1 3 3 PRO C C 3 177.335 177.335 177.877 -0.542 19396 5256 1 42 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.325 0.539 19396 5257 1 42 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.729 -0.323 19396 5258 1 42 . 1 1 4 4 ARG N N 4 124.305 124.305 122.456 1.849 19396 5259 1 42 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.933 0.061 19396 5260 1 42 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.587 -0.471 19396 5261 1 42 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.625 0.673 19396 5262 1 42 . 1 1 4 4 ARG H H 4 8.721 8.721 8.882 -0.161 19396 5263 1 42 . 1 1 5 5 LYS N N 5 117.116 117.116 116.426 0.690 19396 5264 1 42 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.136 -0.088 19396 5265 1 42 . 1 1 5 5 LYS C C 5 178.657 178.657 177.931 0.726 19396 5266 1 42 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.747 0.416 19396 5267 1 42 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.604 1.031 19396 5268 1 42 . 1 1 5 5 LYS H H 5 8.686 8.686 8.381 0.305 19396 5269 1 42 . 1 1 6 6 ILE N N 6 119.465 119.465 118.543 0.922 19396 5270 1 42 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.027 -0.020 19396 5271 1 42 . 1 1 6 6 ILE C C 6 180.162 180.162 177.541 2.621 19396 5272 1 42 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.466 -0.708 19396 5273 1 42 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.811 -0.926 19396 5274 1 42 . 1 1 6 6 ILE H H 6 7.364 7.364 7.529 -0.165 19396 5275 1 42 . 1 1 7 7 LEU N N 7 121.958 121.958 122.349 -0.391 19396 5276 1 42 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.955 0.083 19396 5277 1 42 . 1 1 7 7 LEU C C 7 179.647 179.647 178.459 1.188 19396 5278 1 42 . 1 1 7 7 LEU CA C 7 58.045 58.045 58.137 -0.092 19396 5279 1 42 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.521 0.731 19396 5280 1 42 . 1 1 7 7 LEU H H 7 8.080 8.080 8.245 -0.165 19396 5281 1 42 . 1 1 8 8 CYS N N 8 115.638 115.638 116.000 -0.362 19396 5282 1 42 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.190 0.358 19396 5283 1 42 . 1 1 8 8 CYS CB C 8 36.142 36.142 24.852 11.290 19396 5284 1 42 . 1 1 8 8 CYS H H 8 8.730 8.730 8.421 0.309 19396 5285 1 42 . 1 1 9 9 ALA N N 9 124.009 124.009 123.341 0.668 19396 5286 1 42 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.012 0.172 19396 5287 1 42 . 1 1 9 9 ALA C C 9 180.836 180.836 179.085 1.751 19396 5288 1 42 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.358 0.120 19396 5289 1 42 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.419 -0.248 19396 5290 1 42 . 1 1 9 9 ALA H H 9 7.736 7.736 7.740 -0.004 19396 5291 1 42 . 1 1 10 10 ILE N N 10 119.305 119.305 119.147 0.158 19396 5292 1 42 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.689 0.050 19396 5293 1 42 . 1 1 10 10 ILE C C 10 177.596 177.596 178.155 -0.559 19396 5294 1 42 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.833 1.701 19396 5295 1 42 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.261 1.962 19396 5296 1 42 . 1 1 10 10 ILE H H 10 8.101 8.101 7.565 0.536 19396 5297 1 42 . 1 1 11 11 ALA N N 11 121.508 121.508 121.635 -0.127 19396 5298 1 42 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.960 -0.018 19396 5299 1 42 . 1 1 11 11 ALA C C 11 179.663 179.663 179.790 -0.127 19396 5300 1 42 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.489 -0.199 19396 5301 1 42 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.224 0.210 19396 5302 1 42 . 1 1 11 11 ALA H H 11 7.999 7.999 8.564 -0.565 19396 5303 1 42 . 1 1 12 12 LYS N N 12 115.687 115.687 117.034 -1.347 19396 5304 1 42 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.203 -0.144 19396 5305 1 42 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.375 0.812 19396 5306 1 42 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.634 -0.034 19396 5307 1 42 . 1 1 12 12 LYS H H 12 8.058 8.058 7.567 0.491 19396 5308 1 42 . 1 1 13 13 LYS N N 13 120.587 120.587 119.684 0.903 19396 5309 1 42 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.129 0.014 19396 5310 1 42 . 1 1 13 13 LYS C C 13 178.141 178.141 178.476 -0.335 19396 5311 1 42 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.680 0.005 19396 5312 1 42 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.672 -0.072 19396 5313 1 42 . 1 1 13 13 LYS H H 13 7.826 7.826 8.097 -0.271 19396 5314 1 42 . 1 1 14 14 LYS N N 14 116.430 116.430 117.366 -0.936 19396 5315 1 42 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.336 -0.048 19396 5316 1 42 . 1 1 14 14 LYS CA C 14 56.651 56.651 56.072 0.579 19396 5317 1 42 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.742 0.236 19396 5318 1 42 . 1 1 14 14 LYS H H 14 8.025 8.025 8.100 -0.075 19396 5319 1 42 . 1 1 15 15 GLY N N 15 108.661 108.661 106.950 1.711 19396 5320 1 42 . 1 1 15 15 GLY C C 15 174.966 174.966 174.802 0.164 19396 5321 1 42 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.709 0.700 19396 5322 1 42 . 1 1 15 15 GLY H H 15 7.885 7.885 7.841 0.044 19396 5323 1 42 . 1 1 16 16 LYS N N 16 117.160 117.160 119.499 -2.339 19396 5324 1 42 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.305 0.102 19396 5325 1 42 . 1 1 16 16 LYS C C 16 175.840 175.840 177.462 -1.622 19396 5326 1 42 . 1 1 16 16 LYS CA C 16 54.744 54.744 56.915 -2.171 19396 5327 1 42 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.002 -0.105 19396 5328 1 42 . 1 1 16 16 LYS H H 16 8.299 8.299 7.869 0.430 19396 5329 1 42 . 1 1 17 17 CYS N N 17 123.378 123.378 121.729 1.649 19396 5330 1 42 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.275 0.056 19396 5331 1 42 . 1 1 17 17 CYS C C 17 172.022 172.022 173.658 -1.636 19396 5332 1 42 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.096 -3.301 19396 5333 1 42 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.757 14.173 19396 5334 1 42 . 1 1 17 17 CYS H H 17 8.691 8.691 7.837 0.854 19396 5335 1 42 . 1 1 18 18 LYS N N 18 121.370 121.370 126.673 -5.303 19396 5336 1 42 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.442 0.096 19396 5337 1 42 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.515 0.325 19396 5338 1 42 . 1 1 18 18 LYS H H 18 7.708 7.708 8.170 -0.462 19396 5339 1 42 . 1 1 19 19 GLY N N 19 111.141 111.141 110.511 0.630 19396 5340 1 42 . 1 1 19 19 GLY C C 19 174.356 174.356 173.430 0.926 19396 5341 1 42 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.541 -1.188 19396 5342 1 42 . 1 1 19 19 GLY H H 19 9.036 9.036 8.513 0.523 19396 5343 1 42 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.247 0.124 19396 5344 1 42 . 1 1 20 20 PRO C C 20 178.505 178.505 177.502 1.003 19396 5345 1 42 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.295 -0.357 19396 5346 1 42 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.745 0.511 19396 5347 1 42 . 1 1 21 21 LEU N N 21 116.727 116.727 116.831 -0.104 19396 5348 1 42 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.136 0.018 19396 5349 1 42 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.214 -0.319 19396 5350 1 42 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.805 0.167 19396 5351 1 42 . 1 1 21 21 LEU H H 21 7.625 7.625 7.840 -0.215 19396 5352 1 42 . 1 1 22 22 LYS N N 22 118.668 118.668 120.122 -1.454 19396 5353 1 42 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.042 0.021 19396 5354 1 42 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.199 0.520 19396 5355 1 42 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.100 0.067 19396 5356 1 42 . 1 1 22 22 LYS H H 22 7.583 7.583 7.503 0.080 19396 5357 1 42 . 1 1 23 23 LEU N N 23 116.195 116.195 117.383 -1.188 19396 5358 1 42 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.148 0.122 19396 5359 1 42 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.061 -0.241 19396 5360 1 42 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.494 0.450 19396 5361 1 42 . 1 1 23 23 LEU H H 23 7.330 7.330 7.650 -0.320 19396 5362 1 42 . 1 1 24 24 VAL N N 24 115.225 115.225 117.176 -1.951 19396 5363 1 42 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.900 0.082 19396 5364 1 42 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.116 -0.797 19396 5365 1 42 . 1 1 24 24 VAL CB C 24 33.258 33.258 33.074 0.184 19396 5366 1 42 . 1 1 24 24 VAL H H 24 7.326 7.326 7.445 -0.119 19396 5367 1 42 . 1 1 25 25 CYS N N 25 115.376 115.376 116.784 -1.408 19396 5368 1 42 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.670 -0.609 19396 5369 1 42 . 1 1 25 25 CYS C C 25 174.297 174.297 174.133 0.164 19396 5370 1 42 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.492 10.741 19396 5371 1 42 . 1 1 25 25 CYS H H 25 8.258 8.258 8.528 -0.270 19396 5372 1 42 . 1 1 26 26 LYS N N 26 119.613 119.613 117.377 2.236 19396 5373 1 42 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.988 0.185 19396 5374 1 42 . 1 1 26 26 LYS C C 26 175.125 175.125 175.258 -0.133 19396 5375 1 42 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.042 -0.250 19396 5376 1 42 . 1 1 26 26 LYS H H 26 7.978 7.978 7.987 -0.009 19396 5377 1 43 . 1 1 2 2 LEU N N 2 122.568 122.568 123.483 -0.915 19396 5378 1 43 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.472 0.174 19396 5379 1 43 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.609 -0.205 19396 5380 1 43 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.431 0.136 19396 5381 1 43 . 1 1 2 2 LEU H H 2 8.622 8.622 8.259 0.363 19396 5382 1 43 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.580 -0.080 19396 5383 1 43 . 1 1 3 3 PRO C C 3 177.335 177.335 177.448 -0.113 19396 5384 1 43 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.171 0.693 19396 5385 1 43 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.918 -0.512 19396 5386 1 43 . 1 1 4 4 ARG N N 4 124.305 124.305 122.335 1.970 19396 5387 1 43 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.900 0.094 19396 5388 1 43 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.615 -1.500 19396 5389 1 43 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.951 0.347 19396 5390 1 43 . 1 1 4 4 ARG H H 4 8.721 8.721 8.811 -0.090 19396 5391 1 43 . 1 1 5 5 LYS N N 5 117.116 117.116 115.958 1.158 19396 5392 1 43 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.133 -0.085 19396 5393 1 43 . 1 1 5 5 LYS C C 5 178.657 178.657 177.406 1.251 19396 5394 1 43 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.666 0.497 19396 5395 1 43 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.826 0.809 19396 5396 1 43 . 1 1 5 5 LYS H H 5 8.686 8.686 8.230 0.456 19396 5397 1 43 . 1 1 6 6 ILE N N 6 119.465 119.465 118.098 1.367 19396 5398 1 43 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.125 -0.118 19396 5399 1 43 . 1 1 6 6 ILE C C 6 180.162 180.162 178.119 2.043 19396 5400 1 43 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.870 -0.112 19396 5401 1 43 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.486 -1.601 19396 5402 1 43 . 1 1 6 6 ILE H H 6 7.364 7.364 7.640 -0.276 19396 5403 1 43 . 1 1 7 7 LEU N N 7 121.958 121.958 123.014 -1.056 19396 5404 1 43 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.983 0.055 19396 5405 1 43 . 1 1 7 7 LEU C C 7 179.647 179.647 178.316 1.331 19396 5406 1 43 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.910 0.135 19396 5407 1 43 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.124 1.128 19396 5408 1 43 . 1 1 7 7 LEU H H 7 8.080 8.080 8.629 -0.549 19396 5409 1 43 . 1 1 8 8 CYS N N 8 115.638 115.638 117.968 -2.330 19396 5410 1 43 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.051 0.497 19396 5411 1 43 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.434 10.708 19396 5412 1 43 . 1 1 8 8 CYS H H 8 8.730 8.730 8.339 0.391 19396 5413 1 43 . 1 1 9 9 ALA N N 9 124.009 124.009 122.822 1.187 19396 5414 1 43 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.226 -0.042 19396 5415 1 43 . 1 1 9 9 ALA C C 9 180.836 180.836 178.908 1.928 19396 5416 1 43 . 1 1 9 9 ALA CA C 9 55.477 55.477 54.905 0.572 19396 5417 1 43 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.340 -0.170 19396 5418 1 43 . 1 1 9 9 ALA H H 9 7.736 7.736 7.949 -0.213 19396 5419 1 43 . 1 1 10 10 ILE N N 10 119.305 119.305 118.159 1.146 19396 5420 1 43 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.858 -0.119 19396 5421 1 43 . 1 1 10 10 ILE C C 10 177.596 177.596 177.819 -0.223 19396 5422 1 43 . 1 1 10 10 ILE CA C 10 64.534 64.534 61.983 2.550 19396 5423 1 43 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.738 1.485 19396 5424 1 43 . 1 1 10 10 ILE H H 10 8.101 8.101 7.366 0.735 19396 5425 1 43 . 1 1 11 11 ALA N N 11 121.508 121.508 123.428 -1.920 19396 5426 1 43 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.911 0.031 19396 5427 1 43 . 1 1 11 11 ALA C C 11 179.663 179.663 179.671 -0.008 19396 5428 1 43 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.701 -0.411 19396 5429 1 43 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.235 0.199 19396 5430 1 43 . 1 1 11 11 ALA H H 11 7.999 7.999 8.469 -0.470 19396 5431 1 43 . 1 1 12 12 LYS N N 12 115.687 115.687 116.768 -1.081 19396 5432 1 43 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.096 -0.037 19396 5433 1 43 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.780 0.407 19396 5434 1 43 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.407 0.193 19396 5435 1 43 . 1 1 12 12 LYS H H 12 8.058 8.058 8.138 -0.080 19396 5436 1 43 . 1 1 13 13 LYS N N 13 120.587 120.587 119.263 1.324 19396 5437 1 43 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.135 0.008 19396 5438 1 43 . 1 1 13 13 LYS C C 13 178.141 178.141 178.192 -0.051 19396 5439 1 43 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.476 0.209 19396 5440 1 43 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.448 0.152 19396 5441 1 43 . 1 1 13 13 LYS H H 13 7.826 7.826 7.473 0.353 19396 5442 1 43 . 1 1 14 14 LYS N N 14 116.430 116.430 116.738 -0.308 19396 5443 1 43 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.296 -0.008 19396 5444 1 43 . 1 1 14 14 LYS CA C 14 56.651 56.651 56.076 0.575 19396 5445 1 43 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.869 0.110 19396 5446 1 43 . 1 1 14 14 LYS H H 14 8.025 8.025 8.104 -0.079 19396 5447 1 43 . 1 1 15 15 GLY N N 15 108.661 108.661 106.956 1.705 19396 5448 1 43 . 1 1 15 15 GLY C C 15 174.966 174.966 175.186 -0.220 19396 5449 1 43 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.630 0.779 19396 5450 1 43 . 1 1 15 15 GLY H H 15 7.885 7.885 8.232 -0.347 19396 5451 1 43 . 1 1 16 16 LYS N N 16 117.160 117.160 119.698 -2.538 19396 5452 1 43 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.407 0.000 19396 5453 1 43 . 1 1 16 16 LYS C C 16 175.840 175.840 176.552 -0.712 19396 5454 1 43 . 1 1 16 16 LYS CA C 16 54.744 54.744 56.096 -1.352 19396 5455 1 43 . 1 1 16 16 LYS CB C 16 32.897 32.897 32.564 0.333 19396 5456 1 43 . 1 1 16 16 LYS H H 16 8.299 8.299 8.142 0.157 19396 5457 1 43 . 1 1 17 17 CYS N N 17 123.378 123.378 121.575 1.803 19396 5458 1 43 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.286 0.045 19396 5459 1 43 . 1 1 17 17 CYS C C 17 172.022 172.022 173.189 -1.167 19396 5460 1 43 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.515 -2.720 19396 5461 1 43 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.478 15.452 19396 5462 1 43 . 1 1 17 17 CYS H H 17 8.691 8.691 7.687 1.004 19396 5463 1 43 . 1 1 18 18 LYS N N 18 121.370 121.370 126.450 -5.080 19396 5464 1 43 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.570 -0.032 19396 5465 1 43 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.465 -0.625 19396 5466 1 43 . 1 1 18 18 LYS H H 18 7.708 7.708 7.814 -0.106 19396 5467 1 43 . 1 1 19 19 GLY N N 19 111.141 111.141 110.137 1.004 19396 5468 1 43 . 1 1 19 19 GLY C C 19 174.356 174.356 173.494 0.862 19396 5469 1 43 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.534 -1.181 19396 5470 1 43 . 1 1 19 19 GLY H H 19 9.036 9.036 8.440 0.596 19396 5471 1 43 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.265 0.106 19396 5472 1 43 . 1 1 20 20 PRO C C 20 178.505 178.505 178.205 0.300 19396 5473 1 43 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.581 -0.643 19396 5474 1 43 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.721 0.535 19396 5475 1 43 . 1 1 21 21 LEU N N 21 116.727 116.727 117.961 -1.234 19396 5476 1 43 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.070 0.084 19396 5477 1 43 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.862 -0.967 19396 5478 1 43 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.331 0.641 19396 5479 1 43 . 1 1 21 21 LEU H H 21 7.625 7.625 7.831 -0.206 19396 5480 1 43 . 1 1 22 22 LYS N N 22 118.668 118.668 119.744 -1.076 19396 5481 1 43 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.077 -0.014 19396 5482 1 43 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.302 0.417 19396 5483 1 43 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.216 -0.049 19396 5484 1 43 . 1 1 22 22 LYS H H 22 7.583 7.583 7.515 0.068 19396 5485 1 43 . 1 1 23 23 LEU N N 23 116.195 116.195 120.961 -4.766 19396 5486 1 43 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.065 0.205 19396 5487 1 43 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.809 -0.989 19396 5488 1 43 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.569 0.375 19396 5489 1 43 . 1 1 23 23 LEU H H 23 7.330 7.330 7.804 -0.474 19396 5490 1 43 . 1 1 24 24 VAL N N 24 115.225 115.225 117.039 -1.814 19396 5491 1 43 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.798 0.184 19396 5492 1 43 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.873 -1.554 19396 5493 1 43 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.739 1.519 19396 5494 1 43 . 1 1 24 24 VAL H H 24 7.326 7.326 8.212 -0.886 19396 5495 1 43 . 1 1 25 25 CYS N N 25 115.376 115.376 115.927 -0.551 19396 5496 1 43 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.582 -0.521 19396 5497 1 43 . 1 1 25 25 CYS C C 25 174.297 174.297 174.280 0.017 19396 5498 1 43 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.387 9.846 19396 5499 1 43 . 1 1 25 25 CYS H H 25 8.258 8.258 8.102 0.156 19396 5500 1 43 . 1 1 26 26 LYS N N 26 119.613 119.613 119.445 0.168 19396 5501 1 43 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.045 0.128 19396 5502 1 43 . 1 1 26 26 LYS C C 26 175.125 175.125 175.771 -0.646 19396 5503 1 43 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.996 -0.204 19396 5504 1 43 . 1 1 26 26 LYS H H 26 7.978 7.978 8.154 -0.176 19396 5505 1 44 . 1 1 2 2 LEU N N 2 122.568 122.568 120.921 1.647 19396 5506 1 44 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.160 0.486 19396 5507 1 44 . 1 1 2 2 LEU CA C 2 53.404 53.404 54.329 -0.925 19396 5508 1 44 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.317 0.250 19396 5509 1 44 . 1 1 2 2 LEU H H 2 8.622 8.622 8.244 0.378 19396 5510 1 44 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.588 -0.088 19396 5511 1 44 . 1 1 3 3 PRO C C 3 177.335 177.335 178.087 -0.752 19396 5512 1 44 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.233 0.631 19396 5513 1 44 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.705 -0.299 19396 5514 1 44 . 1 1 4 4 ARG N N 4 124.305 124.305 122.138 2.167 19396 5515 1 44 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.887 0.107 19396 5516 1 44 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.300 -1.185 19396 5517 1 44 . 1 1 4 4 ARG CB C 4 30.298 30.298 30.088 0.210 19396 5518 1 44 . 1 1 4 4 ARG H H 4 8.721 8.721 8.866 -0.145 19396 5519 1 44 . 1 1 5 5 LYS N N 5 117.116 117.116 117.254 -0.138 19396 5520 1 44 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.166 -0.118 19396 5521 1 44 . 1 1 5 5 LYS C C 5 178.657 178.657 177.629 1.028 19396 5522 1 44 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.837 0.326 19396 5523 1 44 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.953 0.682 19396 5524 1 44 . 1 1 5 5 LYS H H 5 8.686 8.686 8.430 0.256 19396 5525 1 44 . 1 1 6 6 ILE N N 6 119.465 119.465 118.909 0.556 19396 5526 1 44 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.082 -0.075 19396 5527 1 44 . 1 1 6 6 ILE C C 6 180.162 180.162 177.837 2.325 19396 5528 1 44 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.806 -0.048 19396 5529 1 44 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.221 -1.336 19396 5530 1 44 . 1 1 6 6 ILE H H 6 7.364 7.364 7.713 -0.349 19396 5531 1 44 . 1 1 7 7 LEU N N 7 121.958 121.958 122.818 -0.860 19396 5532 1 44 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.988 0.050 19396 5533 1 44 . 1 1 7 7 LEU C C 7 179.647 179.647 178.342 1.305 19396 5534 1 44 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.616 0.429 19396 5535 1 44 . 1 1 7 7 LEU CB C 7 42.252 42.252 40.990 1.262 19396 5536 1 44 . 1 1 7 7 LEU H H 7 8.080 8.080 8.566 -0.486 19396 5537 1 44 . 1 1 8 8 CYS N N 8 115.638 115.638 118.713 -3.075 19396 5538 1 44 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.009 0.539 19396 5539 1 44 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.153 10.989 19396 5540 1 44 . 1 1 8 8 CYS H H 8 8.730 8.730 8.174 0.556 19396 5541 1 44 . 1 1 9 9 ALA N N 9 124.009 124.009 122.438 1.571 19396 5542 1 44 . 1 1 9 9 ALA HA H 9 4.184 4.184 3.998 0.186 19396 5543 1 44 . 1 1 9 9 ALA C C 9 180.836 180.836 179.451 1.385 19396 5544 1 44 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.266 0.212 19396 5545 1 44 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.287 -0.116 19396 5546 1 44 . 1 1 9 9 ALA H H 9 7.736 7.736 8.005 -0.269 19396 5547 1 44 . 1 1 10 10 ILE N N 10 119.305 119.305 118.305 1.000 19396 5548 1 44 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.816 -0.077 19396 5549 1 44 . 1 1 10 10 ILE C C 10 177.596 177.596 177.624 -0.028 19396 5550 1 44 . 1 1 10 10 ILE CA C 10 64.534 64.534 64.029 0.504 19396 5551 1 44 . 1 1 10 10 ILE CB C 10 38.223 38.223 38.030 0.193 19396 5552 1 44 . 1 1 10 10 ILE H H 10 8.101 8.101 7.462 0.639 19396 5553 1 44 . 1 1 11 11 ALA N N 11 121.508 121.508 123.327 -1.819 19396 5554 1 44 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.901 0.041 19396 5555 1 44 . 1 1 11 11 ALA C C 11 179.663 179.663 179.363 0.300 19396 5556 1 44 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.736 -0.445 19396 5557 1 44 . 1 1 11 11 ALA CB C 11 18.434 18.434 17.971 0.463 19396 5558 1 44 . 1 1 11 11 ALA H H 11 7.999 7.999 8.561 -0.562 19396 5559 1 44 . 1 1 12 12 LYS N N 12 115.687 115.687 116.947 -1.260 19396 5560 1 44 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.148 -0.089 19396 5561 1 44 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.575 0.612 19396 5562 1 44 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.574 0.026 19396 5563 1 44 . 1 1 12 12 LYS H H 12 8.058 8.058 7.955 0.103 19396 5564 1 44 . 1 1 13 13 LYS N N 13 120.587 120.587 117.951 2.636 19396 5565 1 44 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.187 -0.044 19396 5566 1 44 . 1 1 13 13 LYS C C 13 178.141 178.141 178.305 -0.164 19396 5567 1 44 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.429 0.256 19396 5568 1 44 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.807 -0.207 19396 5569 1 44 . 1 1 13 13 LYS H H 13 7.826 7.826 7.502 0.324 19396 5570 1 44 . 1 1 14 14 LYS N N 14 116.430 116.430 116.912 -0.482 19396 5571 1 44 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.343 -0.055 19396 5572 1 44 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.553 1.098 19396 5573 1 44 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.800 0.179 19396 5574 1 44 . 1 1 14 14 LYS H H 14 8.025 8.025 8.162 -0.137 19396 5575 1 44 . 1 1 15 15 GLY N N 15 108.661 108.661 107.970 0.691 19396 5576 1 44 . 1 1 15 15 GLY C C 15 174.966 174.966 174.260 0.706 19396 5577 1 44 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.556 0.853 19396 5578 1 44 . 1 1 15 15 GLY H H 15 7.885 7.885 7.984 -0.099 19396 5579 1 44 . 1 1 16 16 LYS N N 16 117.160 117.160 118.476 -1.316 19396 5580 1 44 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.569 -0.162 19396 5581 1 44 . 1 1 16 16 LYS C C 16 175.840 175.840 176.877 -1.037 19396 5582 1 44 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.200 -0.456 19396 5583 1 44 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.971 -1.074 19396 5584 1 44 . 1 1 16 16 LYS H H 16 8.299 8.299 8.231 0.068 19396 5585 1 44 . 1 1 17 17 CYS N N 17 123.378 123.378 120.108 3.270 19396 5586 1 44 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.529 -0.198 19396 5587 1 44 . 1 1 17 17 CYS C C 17 172.022 172.022 174.420 -2.398 19396 5588 1 44 . 1 1 17 17 CYS CA C 17 56.795 56.795 57.071 -0.276 19396 5589 1 44 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.195 14.735 19396 5590 1 44 . 1 1 17 17 CYS H H 17 8.691 8.691 7.661 1.030 19396 5591 1 44 . 1 1 18 18 LYS N N 18 121.370 121.370 123.978 -2.608 19396 5592 1 44 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.464 0.074 19396 5593 1 44 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.704 1.136 19396 5594 1 44 . 1 1 18 18 LYS H H 18 7.708 7.708 7.886 -0.178 19396 5595 1 44 . 1 1 19 19 GLY N N 19 111.141 111.141 109.271 1.870 19396 5596 1 44 . 1 1 19 19 GLY C C 19 174.356 174.356 173.821 0.535 19396 5597 1 44 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.822 -0.469 19396 5598 1 44 . 1 1 19 19 GLY H H 19 9.036 9.036 8.524 0.512 19396 5599 1 44 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.338 0.033 19396 5600 1 44 . 1 1 20 20 PRO C C 20 178.505 178.505 178.061 0.444 19396 5601 1 44 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.892 0.046 19396 5602 1 44 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.808 0.448 19396 5603 1 44 . 1 1 21 21 LEU N N 21 116.727 116.727 120.221 -3.494 19396 5604 1 44 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.102 0.052 19396 5605 1 44 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.499 -0.604 19396 5606 1 44 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.718 0.254 19396 5607 1 44 . 1 1 21 21 LEU H H 21 7.625 7.625 7.843 -0.218 19396 5608 1 44 . 1 1 22 22 LYS N N 22 118.668 118.668 119.531 -0.863 19396 5609 1 44 . 1 1 22 22 LYS HA H 22 4.063 4.063 3.981 0.082 19396 5610 1 44 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.794 -0.075 19396 5611 1 44 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.118 0.049 19396 5612 1 44 . 1 1 22 22 LYS H H 22 7.583 7.583 7.544 0.039 19396 5613 1 44 . 1 1 23 23 LEU N N 23 116.195 116.195 119.355 -3.160 19396 5614 1 44 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.191 0.079 19396 5615 1 44 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.578 -0.758 19396 5616 1 44 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.020 -0.076 19396 5617 1 44 . 1 1 23 23 LEU H H 23 7.330 7.330 7.381 -0.051 19396 5618 1 44 . 1 1 24 24 VAL N N 24 115.225 115.225 120.022 -4.797 19396 5619 1 44 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.704 0.278 19396 5620 1 44 . 1 1 24 24 VAL CA C 24 64.319 64.319 67.009 -2.690 19396 5621 1 44 . 1 1 24 24 VAL CB C 24 33.258 33.258 31.652 1.606 19396 5622 1 44 . 1 1 24 24 VAL H H 24 7.326 7.326 8.080 -0.754 19396 5623 1 44 . 1 1 25 25 CYS N N 25 115.376 115.376 116.878 -1.502 19396 5624 1 44 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.551 -0.490 19396 5625 1 44 . 1 1 25 25 CYS C C 25 174.297 174.297 173.541 0.756 19396 5626 1 44 . 1 1 25 25 CYS CB C 25 38.233 38.233 26.507 11.726 19396 5627 1 44 . 1 1 25 25 CYS H H 25 8.258 8.258 8.453 -0.195 19396 5628 1 44 . 1 1 26 26 LYS N N 26 119.613 119.613 118.673 0.940 19396 5629 1 44 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.974 0.199 19396 5630 1 44 . 1 1 26 26 LYS C C 26 175.125 175.125 175.042 0.083 19396 5631 1 44 . 1 1 26 26 LYS CA C 26 56.792 56.792 56.892 -0.100 19396 5632 1 44 . 1 1 26 26 LYS H H 26 7.978 7.978 8.005 -0.027 19396 5633 1 45 . 1 1 2 2 LEU N N 2 122.568 122.568 123.521 -0.953 19396 5634 1 45 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.482 0.164 19396 5635 1 45 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.819 -0.415 19396 5636 1 45 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.175 0.392 19396 5637 1 45 . 1 1 2 2 LEU H H 2 8.622 8.622 8.205 0.417 19396 5638 1 45 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.621 -0.121 19396 5639 1 45 . 1 1 3 3 PRO C C 3 177.335 177.335 177.783 -0.448 19396 5640 1 45 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.325 0.539 19396 5641 1 45 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.882 -0.476 19396 5642 1 45 . 1 1 4 4 ARG N N 4 124.305 124.305 123.201 1.104 19396 5643 1 45 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.897 0.097 19396 5644 1 45 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.065 0.050 19396 5645 1 45 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.232 1.066 19396 5646 1 45 . 1 1 4 4 ARG H H 4 8.721 8.721 8.754 -0.033 19396 5647 1 45 . 1 1 5 5 LYS N N 5 117.116 117.116 119.118 -2.002 19396 5648 1 45 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.171 -0.123 19396 5649 1 45 . 1 1 5 5 LYS C C 5 178.657 178.657 177.436 1.221 19396 5650 1 45 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.603 0.560 19396 5651 1 45 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.935 0.700 19396 5652 1 45 . 1 1 5 5 LYS H H 5 8.686 8.686 8.431 0.255 19396 5653 1 45 . 1 1 6 6 ILE N N 6 119.465 119.465 118.657 0.808 19396 5654 1 45 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.060 -0.053 19396 5655 1 45 . 1 1 6 6 ILE C C 6 180.162 180.162 177.786 2.376 19396 5656 1 45 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.779 -0.021 19396 5657 1 45 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.078 -1.193 19396 5658 1 45 . 1 1 6 6 ILE H H 6 7.364 7.364 7.650 -0.286 19396 5659 1 45 . 1 1 7 7 LEU N N 7 121.958 121.958 122.456 -0.498 19396 5660 1 45 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.994 0.044 19396 5661 1 45 . 1 1 7 7 LEU C C 7 179.647 179.647 178.210 1.437 19396 5662 1 45 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.711 0.334 19396 5663 1 45 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.451 0.801 19396 5664 1 45 . 1 1 7 7 LEU H H 7 8.080 8.080 8.425 -0.345 19396 5665 1 45 . 1 1 8 8 CYS N N 8 115.638 115.638 118.444 -2.806 19396 5666 1 45 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.011 0.537 19396 5667 1 45 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.254 10.888 19396 5668 1 45 . 1 1 8 8 CYS H H 8 8.730 8.730 8.064 0.666 19396 5669 1 45 . 1 1 9 9 ALA N N 9 124.009 124.009 123.018 0.991 19396 5670 1 45 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.036 0.148 19396 5671 1 45 . 1 1 9 9 ALA C C 9 180.836 180.836 179.469 1.367 19396 5672 1 45 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.234 0.243 19396 5673 1 45 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.478 -0.307 19396 5674 1 45 . 1 1 9 9 ALA H H 9 7.736 7.736 7.694 0.042 19396 5675 1 45 . 1 1 10 10 ILE N N 10 119.305 119.305 118.679 0.626 19396 5676 1 45 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.725 0.014 19396 5677 1 45 . 1 1 10 10 ILE C C 10 177.596 177.596 178.055 -0.459 19396 5678 1 45 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.583 1.951 19396 5679 1 45 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.319 1.904 19396 5680 1 45 . 1 1 10 10 ILE H H 10 8.101 8.101 7.436 0.665 19396 5681 1 45 . 1 1 11 11 ALA N N 11 121.508 121.508 122.584 -1.076 19396 5682 1 45 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.938 0.004 19396 5683 1 45 . 1 1 11 11 ALA C C 11 179.663 179.663 179.684 -0.021 19396 5684 1 45 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.628 -0.338 19396 5685 1 45 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.258 0.176 19396 5686 1 45 . 1 1 11 11 ALA H H 11 7.999 7.999 8.641 -0.642 19396 5687 1 45 . 1 1 12 12 LYS N N 12 115.687 115.687 116.394 -0.707 19396 5688 1 45 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.161 -0.102 19396 5689 1 45 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.460 0.727 19396 5690 1 45 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.485 0.115 19396 5691 1 45 . 1 1 12 12 LYS H H 12 8.058 8.058 7.607 0.451 19396 5692 1 45 . 1 1 13 13 LYS N N 13 120.587 120.587 118.928 1.659 19396 5693 1 45 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.190 -0.047 19396 5694 1 45 . 1 1 13 13 LYS C C 13 178.141 178.141 178.268 -0.127 19396 5695 1 45 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.480 0.205 19396 5696 1 45 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.755 -0.156 19396 5697 1 45 . 1 1 13 13 LYS H H 13 7.826 7.826 7.514 0.312 19396 5698 1 45 . 1 1 14 14 LYS N N 14 116.430 116.430 116.811 -0.381 19396 5699 1 45 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.341 -0.053 19396 5700 1 45 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.633 1.018 19396 5701 1 45 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.806 0.173 19396 5702 1 45 . 1 1 14 14 LYS H H 14 8.025 8.025 8.169 -0.144 19396 5703 1 45 . 1 1 15 15 GLY N N 15 108.661 108.661 107.089 1.572 19396 5704 1 45 . 1 1 15 15 GLY C C 15 174.966 174.966 174.939 0.027 19396 5705 1 45 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.608 0.801 19396 5706 1 45 . 1 1 15 15 GLY H H 15 7.885 7.885 7.830 0.055 19396 5707 1 45 . 1 1 16 16 LYS N N 16 117.160 117.160 118.992 -1.832 19396 5708 1 45 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.454 -0.047 19396 5709 1 45 . 1 1 16 16 LYS C C 16 175.840 175.840 176.157 -0.317 19396 5710 1 45 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.539 -0.795 19396 5711 1 45 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.510 -0.613 19396 5712 1 45 . 1 1 16 16 LYS H H 16 8.299 8.299 8.134 0.165 19396 5713 1 45 . 1 1 17 17 CYS N N 17 123.378 123.378 120.824 2.554 19396 5714 1 45 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.331 0.000 19396 5715 1 45 . 1 1 17 17 CYS C C 17 172.022 172.022 173.514 -1.492 19396 5716 1 45 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.946 -3.151 19396 5717 1 45 . 1 1 17 17 CYS CB C 17 39.930 39.930 25.472 14.458 19396 5718 1 45 . 1 1 17 17 CYS H H 17 8.691 8.691 7.902 0.789 19396 5719 1 45 . 1 1 18 18 LYS N N 18 121.370 121.370 125.650 -4.280 19396 5720 1 45 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.429 0.108 19396 5721 1 45 . 1 1 18 18 LYS CB C 18 35.840 35.840 34.495 1.345 19396 5722 1 45 . 1 1 18 18 LYS H H 18 7.708 7.708 8.157 -0.449 19396 5723 1 45 . 1 1 19 19 GLY N N 19 111.141 111.141 108.750 2.391 19396 5724 1 45 . 1 1 19 19 GLY C C 19 174.356 174.356 173.780 0.576 19396 5725 1 45 . 1 1 19 19 GLY CA C 19 45.353 45.353 45.856 -0.503 19396 5726 1 45 . 1 1 19 19 GLY H H 19 9.036 9.036 8.477 0.559 19396 5727 1 45 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.342 0.029 19396 5728 1 45 . 1 1 20 20 PRO C C 20 178.505 178.505 178.136 0.369 19396 5729 1 45 . 1 1 20 20 PRO CA C 20 64.938 64.938 64.959 -0.021 19396 5730 1 45 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.804 0.452 19396 5731 1 45 . 1 1 21 21 LEU N N 21 116.727 116.727 120.135 -3.408 19396 5732 1 45 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.096 0.058 19396 5733 1 45 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.708 -0.813 19396 5734 1 45 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.723 0.249 19396 5735 1 45 . 1 1 21 21 LEU H H 21 7.625 7.625 7.916 -0.291 19396 5736 1 45 . 1 1 22 22 LYS N N 22 118.668 118.668 119.473 -0.805 19396 5737 1 45 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.020 0.043 19396 5738 1 45 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.509 0.210 19396 5739 1 45 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.114 0.054 19396 5740 1 45 . 1 1 22 22 LYS H H 22 7.583 7.583 7.405 0.178 19396 5741 1 45 . 1 1 23 23 LEU N N 23 116.195 116.195 119.517 -3.322 19396 5742 1 45 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.086 0.184 19396 5743 1 45 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.340 -0.520 19396 5744 1 45 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.013 -0.069 19396 5745 1 45 . 1 1 23 23 LEU H H 23 7.330 7.330 7.399 -0.069 19396 5746 1 45 . 1 1 24 24 VAL N N 24 115.225 115.225 118.144 -2.919 19396 5747 1 45 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.695 0.287 19396 5748 1 45 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.972 -1.653 19396 5749 1 45 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.336 0.922 19396 5750 1 45 . 1 1 24 24 VAL H H 24 7.326 7.326 8.025 -0.699 19396 5751 1 45 . 1 1 25 25 CYS N N 25 115.376 115.376 115.993 -0.617 19396 5752 1 45 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.573 -0.512 19396 5753 1 45 . 1 1 25 25 CYS C C 25 174.297 174.297 173.794 0.503 19396 5754 1 45 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.353 10.880 19396 5755 1 45 . 1 1 25 25 CYS H H 25 8.258 8.258 8.231 0.027 19396 5756 1 45 . 1 1 26 26 LYS N N 26 119.613 119.613 118.508 1.105 19396 5757 1 45 . 1 1 26 26 LYS HA H 26 4.173 4.173 3.991 0.182 19396 5758 1 45 . 1 1 26 26 LYS C C 26 175.125 175.125 175.372 -0.247 19396 5759 1 45 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.023 -0.231 19396 5760 1 45 . 1 1 26 26 LYS H H 26 7.978 7.978 7.870 0.108 19396 5761 1 46 . 1 1 2 2 LEU N N 2 122.568 122.568 123.448 -0.880 19396 5762 1 46 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.471 0.175 19396 5763 1 46 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.617 -0.213 19396 5764 1 46 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.458 0.109 19396 5765 1 46 . 1 1 2 2 LEU H H 2 8.622 8.622 8.263 0.359 19396 5766 1 46 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.548 -0.048 19396 5767 1 46 . 1 1 3 3 PRO C C 3 177.335 177.335 177.556 -0.221 19396 5768 1 46 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.153 0.711 19396 5769 1 46 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.870 -0.464 19396 5770 1 46 . 1 1 4 4 ARG N N 4 124.305 124.305 122.246 2.059 19396 5771 1 46 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.998 -0.004 19396 5772 1 46 . 1 1 4 4 ARG CA C 4 59.115 59.115 59.460 -0.345 19396 5773 1 46 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.453 0.845 19396 5774 1 46 . 1 1 4 4 ARG H H 4 8.721 8.721 8.837 -0.116 19396 5775 1 46 . 1 1 5 5 LYS N N 5 117.116 117.116 118.554 -1.438 19396 5776 1 46 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.170 -0.122 19396 5777 1 46 . 1 1 5 5 LYS C C 5 178.657 178.657 177.424 1.233 19396 5778 1 46 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.653 0.510 19396 5779 1 46 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.738 0.897 19396 5780 1 46 . 1 1 5 5 LYS H H 5 8.686 8.686 8.372 0.314 19396 5781 1 46 . 1 1 6 6 ILE N N 6 119.465 119.465 118.593 0.872 19396 5782 1 46 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.102 -0.095 19396 5783 1 46 . 1 1 6 6 ILE C C 6 180.162 180.162 177.805 2.357 19396 5784 1 46 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.628 0.130 19396 5785 1 46 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.465 -1.580 19396 5786 1 46 . 1 1 6 6 ILE H H 6 7.364 7.364 7.752 -0.388 19396 5787 1 46 . 1 1 7 7 LEU N N 7 121.958 121.958 122.742 -0.784 19396 5788 1 46 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.982 0.056 19396 5789 1 46 . 1 1 7 7 LEU C C 7 179.647 179.647 178.346 1.301 19396 5790 1 46 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.723 0.322 19396 5791 1 46 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.077 1.175 19396 5792 1 46 . 1 1 7 7 LEU H H 7 8.080 8.080 8.545 -0.465 19396 5793 1 46 . 1 1 8 8 CYS N N 8 115.638 115.638 118.684 -3.046 19396 5794 1 46 . 1 1 8 8 CYS HA H 8 4.548 4.548 3.974 0.574 19396 5795 1 46 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.503 10.639 19396 5796 1 46 . 1 1 8 8 CYS H H 8 8.730 8.730 8.248 0.482 19396 5797 1 46 . 1 1 9 9 ALA N N 9 124.009 124.009 122.750 1.259 19396 5798 1 46 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.024 0.160 19396 5799 1 46 . 1 1 9 9 ALA C C 9 180.836 180.836 179.603 1.233 19396 5800 1 46 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.187 0.290 19396 5801 1 46 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.428 -0.257 19396 5802 1 46 . 1 1 9 9 ALA H H 9 7.736 7.736 7.697 0.038 19396 5803 1 46 . 1 1 10 10 ILE N N 10 119.305 119.305 118.513 0.792 19396 5804 1 46 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.718 0.021 19396 5805 1 46 . 1 1 10 10 ILE C C 10 177.596 177.596 178.030 -0.434 19396 5806 1 46 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.612 1.921 19396 5807 1 46 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.301 1.922 19396 5808 1 46 . 1 1 10 10 ILE H H 10 8.101 8.101 7.400 0.701 19396 5809 1 46 . 1 1 11 11 ALA N N 11 121.508 121.508 122.340 -0.832 19396 5810 1 46 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.963 -0.021 19396 5811 1 46 . 1 1 11 11 ALA C C 11 179.663 179.663 179.141 0.522 19396 5812 1 46 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.625 -0.335 19396 5813 1 46 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.466 -0.032 19396 5814 1 46 . 1 1 11 11 ALA H H 11 7.999 7.999 8.525 -0.526 19396 5815 1 46 . 1 1 12 12 LYS N N 12 115.687 115.687 115.117 0.570 19396 5816 1 46 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.283 -0.224 19396 5817 1 46 . 1 1 12 12 LYS CA C 12 59.187 59.187 57.810 1.377 19396 5818 1 46 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.405 0.195 19396 5819 1 46 . 1 1 12 12 LYS H H 12 8.058 8.058 7.576 0.482 19396 5820 1 46 . 1 1 13 13 LYS N N 13 120.587 120.587 120.526 0.061 19396 5821 1 46 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.248 -0.105 19396 5822 1 46 . 1 1 13 13 LYS C C 13 178.141 178.141 178.419 -0.278 19396 5823 1 46 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.398 0.287 19396 5824 1 46 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.330 0.270 19396 5825 1 46 . 1 1 13 13 LYS H H 13 7.826 7.826 7.611 0.215 19396 5826 1 46 . 1 1 14 14 LYS N N 14 116.430 116.430 116.949 -0.519 19396 5827 1 46 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.377 -0.089 19396 5828 1 46 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.625 1.026 19396 5829 1 46 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.854 0.125 19396 5830 1 46 . 1 1 14 14 LYS H H 14 8.025 8.025 8.239 -0.214 19396 5831 1 46 . 1 1 15 15 GLY N N 15 108.661 108.661 106.994 1.667 19396 5832 1 46 . 1 1 15 15 GLY C C 15 174.966 174.966 174.718 0.248 19396 5833 1 46 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.616 0.793 19396 5834 1 46 . 1 1 15 15 GLY H H 15 7.885 7.885 7.740 0.145 19396 5835 1 46 . 1 1 16 16 LYS N N 16 117.160 117.160 118.953 -1.793 19396 5836 1 46 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.378 0.029 19396 5837 1 46 . 1 1 16 16 LYS C C 16 175.840 175.840 177.045 -1.205 19396 5838 1 46 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.933 -1.189 19396 5839 1 46 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.414 -0.517 19396 5840 1 46 . 1 1 16 16 LYS H H 16 8.299 8.299 7.945 0.354 19396 5841 1 46 . 1 1 17 17 CYS N N 17 123.378 123.378 121.761 1.617 19396 5842 1 46 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.250 0.080 19396 5843 1 46 . 1 1 17 17 CYS C C 17 172.022 172.022 173.647 -1.625 19396 5844 1 46 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.629 -3.834 19396 5845 1 46 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.973 14.957 19396 5846 1 46 . 1 1 17 17 CYS H H 17 8.691 8.691 7.625 1.066 19396 5847 1 46 . 1 1 18 18 LYS N N 18 121.370 121.370 126.464 -5.094 19396 5848 1 46 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.425 0.113 19396 5849 1 46 . 1 1 18 18 LYS CB C 18 35.840 35.840 36.210 -0.370 19396 5850 1 46 . 1 1 18 18 LYS H H 18 7.708 7.708 8.147 -0.439 19396 5851 1 46 . 1 1 19 19 GLY N N 19 111.141 111.141 110.455 0.686 19396 5852 1 46 . 1 1 19 19 GLY C C 19 174.356 174.356 173.695 0.661 19396 5853 1 46 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.572 -1.218 19396 5854 1 46 . 1 1 19 19 GLY H H 19 9.036 9.036 8.570 0.466 19396 5855 1 46 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.289 0.082 19396 5856 1 46 . 1 1 20 20 PRO C C 20 178.505 178.505 178.359 0.146 19396 5857 1 46 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.241 -0.303 19396 5858 1 46 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.745 0.511 19396 5859 1 46 . 1 1 21 21 LEU N N 21 116.727 116.727 119.390 -2.663 19396 5860 1 46 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.047 0.107 19396 5861 1 46 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.615 -0.720 19396 5862 1 46 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.888 0.084 19396 5863 1 46 . 1 1 21 21 LEU H H 21 7.625 7.625 8.035 -0.410 19396 5864 1 46 . 1 1 22 22 LYS N N 22 118.668 118.668 119.637 -0.969 19396 5865 1 46 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.029 0.034 19396 5866 1 46 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.215 0.504 19396 5867 1 46 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.235 -0.068 19396 5868 1 46 . 1 1 22 22 LYS H H 22 7.583 7.583 7.465 0.118 19396 5869 1 46 . 1 1 23 23 LEU N N 23 116.195 116.195 120.485 -4.290 19396 5870 1 46 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.071 0.199 19396 5871 1 46 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.807 -0.987 19396 5872 1 46 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.211 -0.267 19396 5873 1 46 . 1 1 23 23 LEU H H 23 7.330 7.330 7.452 -0.122 19396 5874 1 46 . 1 1 24 24 VAL N N 24 115.225 115.225 119.371 -4.146 19396 5875 1 46 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.765 0.217 19396 5876 1 46 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.960 -1.641 19396 5877 1 46 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.058 1.200 19396 5878 1 46 . 1 1 24 24 VAL H H 24 7.326 7.326 8.198 -0.872 19396 5879 1 46 . 1 1 25 25 CYS N N 25 115.376 115.376 117.497 -2.121 19396 5880 1 46 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.560 -0.499 19396 5881 1 46 . 1 1 25 25 CYS C C 25 174.297 174.297 174.147 0.150 19396 5882 1 46 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.435 10.798 19396 5883 1 46 . 1 1 25 25 CYS H H 25 8.258 8.258 8.630 -0.372 19396 5884 1 46 . 1 1 26 26 LYS N N 26 119.613 119.613 120.997 -1.384 19396 5885 1 46 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.043 0.130 19396 5886 1 46 . 1 1 26 26 LYS C C 26 175.125 175.125 175.045 0.080 19396 5887 1 46 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.083 -0.291 19396 5888 1 46 . 1 1 26 26 LYS H H 26 7.978 7.978 7.874 0.104 19396 5889 1 47 . 1 1 2 2 LEU N N 2 122.568 122.568 120.768 1.800 19396 5890 1 47 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.160 0.486 19396 5891 1 47 . 1 1 2 2 LEU CA C 2 53.404 53.404 54.238 -0.834 19396 5892 1 47 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.275 0.292 19396 5893 1 47 . 1 1 2 2 LEU H H 2 8.622 8.622 8.253 0.369 19396 5894 1 47 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.600 -0.100 19396 5895 1 47 . 1 1 3 3 PRO C C 3 177.335 177.335 178.026 -0.691 19396 5896 1 47 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.223 0.641 19396 5897 1 47 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.622 -0.216 19396 5898 1 47 . 1 1 4 4 ARG N N 4 124.305 124.305 121.603 2.702 19396 5899 1 47 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.864 0.130 19396 5900 1 47 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.602 -1.487 19396 5901 1 47 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.918 0.381 19396 5902 1 47 . 1 1 4 4 ARG H H 4 8.721 8.721 8.803 -0.082 19396 5903 1 47 . 1 1 5 5 LYS N N 5 117.116 117.116 119.657 -2.541 19396 5904 1 47 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.184 -0.136 19396 5905 1 47 . 1 1 5 5 LYS C C 5 178.657 178.657 177.132 1.525 19396 5906 1 47 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.538 0.625 19396 5907 1 47 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.465 1.170 19396 5908 1 47 . 1 1 5 5 LYS H H 5 8.686 8.686 8.415 0.271 19396 5909 1 47 . 1 1 6 6 ILE N N 6 119.465 119.465 119.161 0.304 19396 5910 1 47 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.089 -0.082 19396 5911 1 47 . 1 1 6 6 ILE C C 6 180.162 180.162 178.102 2.060 19396 5912 1 47 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.518 0.240 19396 5913 1 47 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.169 -1.284 19396 5914 1 47 . 1 1 6 6 ILE H H 6 7.364 7.364 7.696 -0.332 19396 5915 1 47 . 1 1 7 7 LEU N N 7 121.958 121.958 122.821 -0.863 19396 5916 1 47 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.982 0.056 19396 5917 1 47 . 1 1 7 7 LEU C C 7 179.647 179.647 178.361 1.286 19396 5918 1 47 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.754 0.291 19396 5919 1 47 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.104 1.148 19396 5920 1 47 . 1 1 7 7 LEU H H 7 8.080 8.080 8.535 -0.455 19396 5921 1 47 . 1 1 8 8 CYS N N 8 115.638 115.638 118.370 -2.732 19396 5922 1 47 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.010 0.538 19396 5923 1 47 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.362 10.780 19396 5924 1 47 . 1 1 8 8 CYS H H 8 8.730 8.730 8.386 0.344 19396 5925 1 47 . 1 1 9 9 ALA N N 9 124.009 124.009 123.297 0.712 19396 5926 1 47 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.016 0.168 19396 5927 1 47 . 1 1 9 9 ALA C C 9 180.836 180.836 179.432 1.404 19396 5928 1 47 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.341 0.136 19396 5929 1 47 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.413 -0.242 19396 5930 1 47 . 1 1 9 9 ALA H H 9 7.736 7.736 7.736 0.000 19396 5931 1 47 . 1 1 10 10 ILE N N 10 119.305 119.305 118.928 0.377 19396 5932 1 47 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.696 0.043 19396 5933 1 47 . 1 1 10 10 ILE C C 10 177.596 177.596 178.083 -0.487 19396 5934 1 47 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.775 1.759 19396 5935 1 47 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.249 1.974 19396 5936 1 47 . 1 1 10 10 ILE H H 10 8.101 8.101 7.476 0.625 19396 5937 1 47 . 1 1 11 11 ALA N N 11 121.508 121.508 123.114 -1.606 19396 5938 1 47 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.968 -0.026 19396 5939 1 47 . 1 1 11 11 ALA C C 11 179.663 179.663 179.484 0.179 19396 5940 1 47 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.322 -0.032 19396 5941 1 47 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.473 -0.039 19396 5942 1 47 . 1 1 11 11 ALA H H 11 7.999 7.999 8.561 -0.562 19396 5943 1 47 . 1 1 12 12 LYS N N 12 115.687 115.687 116.785 -1.098 19396 5944 1 47 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.119 -0.060 19396 5945 1 47 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.653 0.534 19396 5946 1 47 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.560 0.040 19396 5947 1 47 . 1 1 12 12 LYS H H 12 8.058 8.058 7.721 0.337 19396 5948 1 47 . 1 1 13 13 LYS N N 13 120.587 120.587 119.713 0.874 19396 5949 1 47 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.127 0.016 19396 5950 1 47 . 1 1 13 13 LYS C C 13 178.141 178.141 178.541 -0.400 19396 5951 1 47 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.646 0.039 19396 5952 1 47 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.630 -0.030 19396 5953 1 47 . 1 1 13 13 LYS H H 13 7.826 7.826 7.970 -0.144 19396 5954 1 47 . 1 1 14 14 LYS N N 14 116.430 116.430 116.662 -0.232 19396 5955 1 47 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.324 -0.036 19396 5956 1 47 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.758 0.893 19396 5957 1 47 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.666 0.313 19396 5958 1 47 . 1 1 14 14 LYS H H 14 8.025 8.025 8.146 -0.121 19396 5959 1 47 . 1 1 15 15 GLY N N 15 108.661 108.661 107.085 1.576 19396 5960 1 47 . 1 1 15 15 GLY C C 15 174.966 174.966 174.604 0.362 19396 5961 1 47 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.596 0.813 19396 5962 1 47 . 1 1 15 15 GLY H H 15 7.885 7.885 7.766 0.119 19396 5963 1 47 . 1 1 16 16 LYS N N 16 117.160 117.160 121.829 -4.669 19396 5964 1 47 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.626 -0.219 19396 5965 1 47 . 1 1 16 16 LYS C C 16 175.840 175.840 174.755 1.085 19396 5966 1 47 . 1 1 16 16 LYS CA C 16 54.744 54.744 54.758 -0.014 19396 5967 1 47 . 1 1 16 16 LYS CB C 16 32.897 32.897 31.811 1.086 19396 5968 1 47 . 1 1 16 16 LYS H H 16 8.299 8.299 7.879 0.420 19396 5969 1 47 . 1 1 17 17 CYS N N 17 123.378 123.378 121.629 1.749 19396 5970 1 47 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.724 -0.393 19396 5971 1 47 . 1 1 17 17 CYS C C 17 172.022 172.022 173.030 -1.008 19396 5972 1 47 . 1 1 17 17 CYS CA C 17 56.795 56.795 58.571 -1.776 19396 5973 1 47 . 1 1 17 17 CYS CB C 17 39.930 39.930 28.181 11.749 19396 5974 1 47 . 1 1 17 17 CYS H H 17 8.691 8.691 7.942 0.749 19396 5975 1 47 . 1 1 18 18 LYS N N 18 121.370 121.370 126.274 -4.904 19396 5976 1 47 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.469 0.069 19396 5977 1 47 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.902 -0.062 19396 5978 1 47 . 1 1 18 18 LYS H H 18 7.708 7.708 8.284 -0.576 19396 5979 1 47 . 1 1 19 19 GLY N N 19 111.141 111.141 110.290 0.851 19396 5980 1 47 . 1 1 19 19 GLY C C 19 174.356 174.356 173.416 0.940 19396 5981 1 47 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.553 -1.200 19396 5982 1 47 . 1 1 19 19 GLY H H 19 9.036 9.036 8.502 0.534 19396 5983 1 47 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.264 0.107 19396 5984 1 47 . 1 1 20 20 PRO C C 20 178.505 178.505 178.230 0.275 19396 5985 1 47 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.605 -0.666 19396 5986 1 47 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.717 0.539 19396 5987 1 47 . 1 1 21 21 LEU N N 21 116.727 116.727 117.935 -1.208 19396 5988 1 47 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.102 0.052 19396 5989 1 47 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.482 -0.587 19396 5990 1 47 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.301 0.671 19396 5991 1 47 . 1 1 21 21 LEU H H 21 7.625 7.625 7.930 -0.305 19396 5992 1 47 . 1 1 22 22 LYS N N 22 118.668 118.668 119.857 -1.189 19396 5993 1 47 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.062 0.001 19396 5994 1 47 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.354 0.365 19396 5995 1 47 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.318 -0.151 19396 5996 1 47 . 1 1 22 22 LYS H H 22 7.583 7.583 7.398 0.185 19396 5997 1 47 . 1 1 23 23 LEU N N 23 116.195 116.195 119.797 -3.602 19396 5998 1 47 . 1 1 23 23 LEU HA H 23 4.270 4.270 3.992 0.278 19396 5999 1 47 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.670 -0.850 19396 6000 1 47 . 1 1 23 23 LEU CB C 23 41.944 41.944 42.227 -0.283 19396 6001 1 47 . 1 1 23 23 LEU H H 23 7.330 7.330 7.813 -0.483 19396 6002 1 47 . 1 1 24 24 VAL N N 24 115.225 115.225 115.842 -0.617 19396 6003 1 47 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.768 0.214 19396 6004 1 47 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.613 -1.294 19396 6005 1 47 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.189 1.069 19396 6006 1 47 . 1 1 24 24 VAL H H 24 7.326 7.326 7.863 -0.537 19396 6007 1 47 . 1 1 25 25 CYS N N 25 115.376 115.376 116.026 -0.650 19396 6008 1 47 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.599 -0.538 19396 6009 1 47 . 1 1 25 25 CYS C C 25 174.297 174.297 173.645 0.652 19396 6010 1 47 . 1 1 25 25 CYS CB C 25 38.233 38.233 28.120 10.113 19396 6011 1 47 . 1 1 25 25 CYS H H 25 8.258 8.258 8.320 -0.062 19396 6012 1 47 . 1 1 26 26 LYS N N 26 119.613 119.613 119.069 0.544 19396 6013 1 47 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.000 0.173 19396 6014 1 47 . 1 1 26 26 LYS C C 26 175.125 175.125 175.316 -0.191 19396 6015 1 47 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.074 -0.282 19396 6016 1 47 . 1 1 26 26 LYS H H 26 7.978 7.978 8.092 -0.114 19396 6017 1 48 . 1 1 2 2 LEU N N 2 122.568 122.568 123.705 -1.137 19396 6018 1 48 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.526 0.120 19396 6019 1 48 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.606 -0.202 19396 6020 1 48 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.556 0.011 19396 6021 1 48 . 1 1 2 2 LEU H H 2 8.622 8.622 8.237 0.385 19396 6022 1 48 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.580 -0.080 19396 6023 1 48 . 1 1 3 3 PRO C C 3 177.335 177.335 177.369 -0.034 19396 6024 1 48 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.185 0.679 19396 6025 1 48 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.946 -0.540 19396 6026 1 48 . 1 1 4 4 ARG N N 4 124.305 124.305 122.222 2.083 19396 6027 1 48 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.919 0.075 19396 6028 1 48 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.414 -1.299 19396 6029 1 48 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.953 0.345 19396 6030 1 48 . 1 1 4 4 ARG H H 4 8.721 8.721 8.810 -0.089 19396 6031 1 48 . 1 1 5 5 LYS N N 5 117.116 117.116 118.816 -1.700 19396 6032 1 48 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.154 -0.106 19396 6033 1 48 . 1 1 5 5 LYS C C 5 178.657 178.657 177.293 1.364 19396 6034 1 48 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.690 0.473 19396 6035 1 48 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.859 0.776 19396 6036 1 48 . 1 1 5 5 LYS H H 5 8.686 8.686 8.429 0.257 19396 6037 1 48 . 1 1 6 6 ILE N N 6 119.465 119.465 118.620 0.845 19396 6038 1 48 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.065 -0.058 19396 6039 1 48 . 1 1 6 6 ILE C C 6 180.162 180.162 177.796 2.366 19396 6040 1 48 . 1 1 6 6 ILE CA C 6 62.758 62.758 62.770 -0.012 19396 6041 1 48 . 1 1 6 6 ILE CB C 6 37.885 37.885 39.122 -1.237 19396 6042 1 48 . 1 1 6 6 ILE H H 6 7.364 7.364 7.655 -0.291 19396 6043 1 48 . 1 1 7 7 LEU N N 7 121.958 121.958 122.547 -0.589 19396 6044 1 48 . 1 1 7 7 LEU HA H 7 4.038 4.038 4.018 0.020 19396 6045 1 48 . 1 1 7 7 LEU C C 7 179.647 179.647 178.231 1.416 19396 6046 1 48 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.545 0.500 19396 6047 1 48 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.378 0.874 19396 6048 1 48 . 1 1 7 7 LEU H H 7 8.080 8.080 8.490 -0.410 19396 6049 1 48 . 1 1 8 8 CYS N N 8 115.638 115.638 118.268 -2.630 19396 6050 1 48 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.010 0.538 19396 6051 1 48 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.296 10.846 19396 6052 1 48 . 1 1 8 8 CYS H H 8 8.730 8.730 8.105 0.625 19396 6053 1 48 . 1 1 9 9 ALA N N 9 124.009 124.009 123.363 0.646 19396 6054 1 48 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.020 0.164 19396 6055 1 48 . 1 1 9 9 ALA C C 9 180.836 180.836 179.475 1.361 19396 6056 1 48 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.280 0.197 19396 6057 1 48 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.463 -0.292 19396 6058 1 48 . 1 1 9 9 ALA H H 9 7.736 7.736 7.779 -0.043 19396 6059 1 48 . 1 1 10 10 ILE N N 10 119.305 119.305 118.870 0.435 19396 6060 1 48 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.733 0.006 19396 6061 1 48 . 1 1 10 10 ILE C C 10 177.596 177.596 178.076 -0.480 19396 6062 1 48 . 1 1 10 10 ILE CA C 10 64.534 64.534 62.612 1.922 19396 6063 1 48 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.314 1.909 19396 6064 1 48 . 1 1 10 10 ILE H H 10 8.101 8.101 7.542 0.559 19396 6065 1 48 . 1 1 11 11 ALA N N 11 121.508 121.508 122.620 -1.112 19396 6066 1 48 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.919 0.023 19396 6067 1 48 . 1 1 11 11 ALA C C 11 179.663 179.663 179.540 0.123 19396 6068 1 48 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.596 -0.306 19396 6069 1 48 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.213 0.221 19396 6070 1 48 . 1 1 11 11 ALA H H 11 7.999 7.999 8.614 -0.615 19396 6071 1 48 . 1 1 12 12 LYS N N 12 115.687 115.687 117.264 -1.577 19396 6072 1 48 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.128 -0.069 19396 6073 1 48 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.491 0.696 19396 6074 1 48 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.552 0.048 19396 6075 1 48 . 1 1 12 12 LYS H H 12 8.058 8.058 7.535 0.523 19396 6076 1 48 . 1 1 13 13 LYS N N 13 120.587 120.587 119.804 0.783 19396 6077 1 48 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.135 0.008 19396 6078 1 48 . 1 1 13 13 LYS C C 13 178.141 178.141 178.525 -0.384 19396 6079 1 48 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.669 0.016 19396 6080 1 48 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.517 0.083 19396 6081 1 48 . 1 1 13 13 LYS H H 13 7.826 7.826 8.043 -0.217 19396 6082 1 48 . 1 1 14 14 LYS N N 14 116.430 116.430 116.331 0.099 19396 6083 1 48 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.388 -0.100 19396 6084 1 48 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.484 1.167 19396 6085 1 48 . 1 1 14 14 LYS CB C 14 32.979 32.979 33.038 -0.059 19396 6086 1 48 . 1 1 14 14 LYS H H 14 8.025 8.025 8.109 -0.084 19396 6087 1 48 . 1 1 15 15 GLY N N 15 108.661 108.661 107.209 1.452 19396 6088 1 48 . 1 1 15 15 GLY C C 15 174.966 174.966 174.708 0.258 19396 6089 1 48 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.718 0.692 19396 6090 1 48 . 1 1 15 15 GLY H H 15 7.885 7.885 7.795 0.090 19396 6091 1 48 . 1 1 16 16 LYS N N 16 117.160 117.160 118.628 -1.468 19396 6092 1 48 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.423 -0.016 19396 6093 1 48 . 1 1 16 16 LYS C C 16 175.840 175.840 176.819 -0.979 19396 6094 1 48 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.321 -0.577 19396 6095 1 48 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.455 -0.558 19396 6096 1 48 . 1 1 16 16 LYS H H 16 8.299 8.299 7.921 0.378 19396 6097 1 48 . 1 1 17 17 CYS N N 17 123.378 123.378 120.681 2.697 19396 6098 1 48 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.354 -0.023 19396 6099 1 48 . 1 1 17 17 CYS C C 17 172.022 172.022 174.168 -2.146 19396 6100 1 48 . 1 1 17 17 CYS CA C 17 56.795 56.795 60.315 -3.519 19396 6101 1 48 . 1 1 17 17 CYS CB C 17 39.930 39.930 24.643 15.287 19396 6102 1 48 . 1 1 17 17 CYS H H 17 8.691 8.691 7.813 0.878 19396 6103 1 48 . 1 1 18 18 LYS N N 18 121.370 121.370 126.690 -5.320 19396 6104 1 48 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.523 0.015 19396 6105 1 48 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.816 0.024 19396 6106 1 48 . 1 1 18 18 LYS H H 18 7.708 7.708 8.158 -0.450 19396 6107 1 48 . 1 1 19 19 GLY N N 19 111.141 111.141 109.596 1.545 19396 6108 1 48 . 1 1 19 19 GLY C C 19 174.356 174.356 173.753 0.603 19396 6109 1 48 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.445 -1.092 19396 6110 1 48 . 1 1 19 19 GLY H H 19 9.036 9.036 8.488 0.548 19396 6111 1 48 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.341 0.030 19396 6112 1 48 . 1 1 20 20 PRO C C 20 178.505 178.505 178.219 0.286 19396 6113 1 48 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.190 -0.252 19396 6114 1 48 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.753 0.503 19396 6115 1 48 . 1 1 21 21 LEU N N 21 116.727 116.727 119.819 -3.092 19396 6116 1 48 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.123 0.031 19396 6117 1 48 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.264 -0.369 19396 6118 1 48 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.248 0.724 19396 6119 1 48 . 1 1 21 21 LEU H H 21 7.625 7.625 7.994 -0.369 19396 6120 1 48 . 1 1 22 22 LYS N N 22 118.668 118.668 119.117 -0.449 19396 6121 1 48 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.009 0.054 19396 6122 1 48 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.687 0.032 19396 6123 1 48 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.172 -0.005 19396 6124 1 48 . 1 1 22 22 LYS H H 22 7.583 7.583 7.361 0.222 19396 6125 1 48 . 1 1 23 23 LEU N N 23 116.195 116.195 119.200 -3.005 19396 6126 1 48 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.183 0.087 19396 6127 1 48 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.661 -0.841 19396 6128 1 48 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.756 0.188 19396 6129 1 48 . 1 1 23 23 LEU H H 23 7.330 7.330 7.447 -0.117 19396 6130 1 48 . 1 1 24 24 VAL N N 24 115.225 115.225 119.601 -4.376 19396 6131 1 48 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.768 0.214 19396 6132 1 48 . 1 1 24 24 VAL CA C 24 64.319 64.319 66.085 -1.766 19396 6133 1 48 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.046 1.212 19396 6134 1 48 . 1 1 24 24 VAL H H 24 7.326 7.326 8.333 -1.007 19396 6135 1 48 . 1 1 25 25 CYS N N 25 115.376 115.376 116.943 -1.567 19396 6136 1 48 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.559 -0.498 19396 6137 1 48 . 1 1 25 25 CYS C C 25 174.297 174.297 173.985 0.312 19396 6138 1 48 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.410 10.823 19396 6139 1 48 . 1 1 25 25 CYS H H 25 8.258 8.258 8.290 -0.032 19396 6140 1 48 . 1 1 26 26 LYS N N 26 119.613 119.613 120.252 -0.639 19396 6141 1 48 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.046 0.127 19396 6142 1 48 . 1 1 26 26 LYS C C 26 175.125 175.125 175.227 -0.102 19396 6143 1 48 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.094 -0.302 19396 6144 1 48 . 1 1 26 26 LYS H H 26 7.978 7.978 7.875 0.103 19396 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 23 2.315 0.926 2.169 19396 2 1 1 "Average Difference" HA 27 0.242 -0.061 0.239 19396 3 1 1 "Average Difference" C 15 0.955 -0.370 0.911 19396 4 1 1 "Average Difference" CA 22 0.887 0.215 0.881 19396 5 1 1 "Average Difference" CB 22 4.241 -1.709 3.973 19396 6 1 1 "Average Difference" HN 23 0.386 0.036 0.393 19396 7 1 2 "Average Difference" N 23 2.233 1.014 2.034 19396 8 1 2 "Average Difference" HA 27 0.258 -0.071 0.252 19396 9 1 2 "Average Difference" C 15 0.952 -0.527 0.821 19396 10 1 2 "Average Difference" CA 22 0.760 0.163 0.760 19396 11 1 2 "Average Difference" CB 22 4.099 -1.594 3.866 19396 12 1 2 "Average Difference" HN 23 0.421 -0.021 0.430 19396 13 1 3 "Average Difference" N 23 2.281 0.714 2.215 19396 14 1 3 "Average Difference" HA 27 0.269 -0.069 0.265 19396 15 1 3 "Average Difference" C 15 1.123 -0.514 1.034 19396 16 1 3 "Average Difference" CA 22 0.796 0.055 0.813 19396 17 1 3 "Average Difference" CB 22 4.304 -1.706 4.044 19396 18 1 3 "Average Difference" HN 23 0.389 0.025 0.397 19396 19 1 4 "Average Difference" N 23 2.178 1.095 1.926 19396 20 1 4 "Average Difference" HA 27 0.265 -0.083 0.257 19396 21 1 4 "Average Difference" C 15 0.903 -0.423 0.826 19396 22 1 4 "Average Difference" CA 22 0.810 0.181 0.808 19396 23 1 4 "Average Difference" CB 22 4.081 -1.756 3.771 19396 24 1 4 "Average Difference" HN 23 0.354 -0.004 0.362 19396 25 1 5 "Average Difference" N 23 2.167 1.116 1.899 19396 26 1 5 "Average Difference" HA 27 0.241 -0.101 0.223 19396 27 1 5 "Average Difference" C 15 0.934 -0.181 0.949 19396 28 1 5 "Average Difference" CA 22 1.027 0.193 1.032 19396 29 1 5 "Average Difference" CB 22 4.376 -1.857 4.056 19396 30 1 5 "Average Difference" HN 23 0.443 -0.045 0.451 19396 31 1 6 "Average Difference" N 23 2.280 0.722 2.211 19396 32 1 6 "Average Difference" HA 27 0.241 -0.089 0.228 19396 33 1 6 "Average Difference" C 15 0.894 -0.289 0.876 19396 34 1 6 "Average Difference" CA 22 0.795 0.152 0.798 19396 35 1 6 "Average Difference" CB 22 4.491 -1.923 4.154 19396 36 1 6 "Average Difference" HN 23 0.457 -0.015 0.467 19396 37 1 7 "Average Difference" N 23 1.907 0.637 1.837 19396 38 1 7 "Average Difference" HA 27 0.268 -0.088 0.258 19396 39 1 7 "Average Difference" C 15 0.932 -0.477 0.829 19396 40 1 7 "Average Difference" CA 22 0.689 0.170 0.684 19396 41 1 7 "Average Difference" CB 22 4.101 -1.805 3.769 19396 42 1 7 "Average Difference" HN 23 0.366 -0.032 0.373 19396 43 1 8 "Average Difference" N 23 2.156 0.726 2.075 19396 44 1 8 "Average Difference" HA 27 0.247 -0.091 0.234 19396 45 1 8 "Average Difference" C 15 0.991 -0.221 1.000 19396 46 1 8 "Average Difference" CA 22 0.913 0.228 0.905 19396 47 1 8 "Average Difference" CB 22 4.393 -1.799 4.102 19396 48 1 8 "Average Difference" HN 23 0.492 -0.024 0.502 19396 49 1 9 "Average Difference" N 23 2.181 0.718 2.106 19396 50 1 9 "Average Difference" HA 27 0.259 -0.036 0.262 19396 51 1 9 "Average Difference" C 15 1.276 -0.420 1.247 19396 52 1 9 "Average Difference" CA 22 1.070 0.059 1.093 19396 53 1 9 "Average Difference" CB 22 4.350 -1.626 4.129 19396 54 1 9 "Average Difference" HN 23 0.461 -0.015 0.471 19396 55 1 10 "Average Difference" N 23 2.056 0.974 1.852 19396 56 1 10 "Average Difference" HA 27 0.265 -0.068 0.261 19396 57 1 10 "Average Difference" C 15 0.942 -0.497 0.829 19396 58 1 10 "Average Difference" CA 22 0.818 0.077 0.833 19396 59 1 10 "Average Difference" CB 22 4.064 -1.605 3.822 19396 60 1 10 "Average Difference" HN 23 0.393 0.004 0.402 19396 61 1 11 "Average Difference" N 23 1.952 0.741 1.847 19396 62 1 11 "Average Difference" HA 27 0.263 -0.080 0.255 19396 63 1 11 "Average Difference" C 15 0.865 -0.408 0.789 19396 64 1 11 "Average Difference" CA 22 0.902 0.102 0.917 19396 65 1 11 "Average Difference" CB 22 4.108 -1.817 3.771 19396 66 1 11 "Average Difference" HN 23 0.358 -0.052 0.362 19396 67 1 12 "Average Difference" N 23 2.082 0.625 2.030 19396 68 1 12 "Average Difference" HA 27 0.261 -0.078 0.254 19396 69 1 12 "Average Difference" C 15 0.998 -0.487 0.902 19396 70 1 12 "Average Difference" CA 22 0.894 0.147 0.902 19396 71 1 12 "Average Difference" CB 22 4.124 -1.749 3.822 19396 72 1 12 "Average Difference" HN 23 0.321 -0.002 0.328 19396 73 1 13 "Average Difference" N 23 2.154 0.608 2.113 19396 74 1 13 "Average Difference" HA 27 0.268 -0.092 0.257 19396 75 1 13 "Average Difference" C 15 1.091 -0.270 1.095 19396 76 1 13 "Average Difference" CA 22 1.158 0.145 1.176 19396 77 1 13 "Average Difference" CB 22 4.587 -1.801 4.318 19396 78 1 13 "Average Difference" HN 23 0.484 -0.017 0.495 19396 79 1 14 "Average Difference" N 23 1.883 0.687 1.792 19396 80 1 14 "Average Difference" HA 27 0.246 -0.084 0.236 19396 81 1 14 "Average Difference" C 15 0.863 -0.169 0.875 19396 82 1 14 "Average Difference" CA 22 1.003 0.192 1.007 19396 83 1 14 "Average Difference" CB 22 4.584 -1.807 4.312 19396 84 1 14 "Average Difference" HN 23 0.466 -0.022 0.476 19396 85 1 15 "Average Difference" N 23 1.949 0.664 1.873 19396 86 1 15 "Average Difference" HA 27 0.268 -0.071 0.263 19396 87 1 15 "Average Difference" C 15 1.023 -0.528 0.906 19396 88 1 15 "Average Difference" CA 22 0.739 0.213 0.724 19396 89 1 15 "Average Difference" CB 22 3.965 -1.639 3.696 19396 90 1 15 "Average Difference" HN 23 0.355 0.006 0.363 19396 91 1 16 "Average Difference" N 23 1.928 0.511 1.901 19396 92 1 16 "Average Difference" HA 27 0.249 -0.101 0.232 19396 93 1 16 "Average Difference" C 15 0.980 -0.226 0.987 19396 94 1 16 "Average Difference" CA 22 0.920 0.205 0.919 19396 95 1 16 "Average Difference" CB 22 4.592 -1.863 4.295 19396 96 1 16 "Average Difference" HN 23 0.353 0.002 0.360 19396 97 1 17 "Average Difference" N 23 2.113 0.905 1.952 19396 98 1 17 "Average Difference" HA 27 0.256 -0.050 0.255 19396 99 1 17 "Average Difference" C 15 1.158 -0.310 1.155 19396 100 1 17 "Average Difference" CA 22 1.197 0.128 1.218 19396 101 1 17 "Average Difference" CB 22 4.559 -1.622 4.361 19396 102 1 17 "Average Difference" HN 23 0.474 -0.026 0.484 19396 103 1 18 "Average Difference" N 23 2.041 0.713 1.956 19396 104 1 18 "Average Difference" HA 27 0.260 -0.014 0.265 19396 105 1 18 "Average Difference" C 15 1.064 -0.548 0.944 19396 106 1 18 "Average Difference" CA 22 1.038 -0.057 1.061 19396 107 1 18 "Average Difference" CB 22 4.179 -1.590 3.955 19396 108 1 18 "Average Difference" HN 23 0.449 0.069 0.454 19396 109 1 19 "Average Difference" N 23 2.388 0.820 2.293 19396 110 1 19 "Average Difference" HA 27 0.273 -0.050 0.273 19396 111 1 19 "Average Difference" C 15 1.042 -0.560 0.909 19396 112 1 19 "Average Difference" CA 22 0.912 0.046 0.933 19396 113 1 19 "Average Difference" CB 22 4.058 -1.681 3.780 19396 114 1 19 "Average Difference" HN 23 0.414 0.025 0.423 19396 115 1 20 "Average Difference" N 23 2.121 0.913 1.958 19396 116 1 20 "Average Difference" HA 27 0.255 -0.103 0.238 19396 117 1 20 "Average Difference" C 15 0.966 -0.231 0.971 19396 118 1 20 "Average Difference" CA 22 1.058 0.232 1.056 19396 119 1 20 "Average Difference" CB 22 4.469 -1.805 4.184 19396 120 1 20 "Average Difference" HN 23 0.435 -0.044 0.442 19396 121 1 21 "Average Difference" N 23 1.939 0.650 1.868 19396 122 1 21 "Average Difference" HA 27 0.251 -0.108 0.231 19396 123 1 21 "Average Difference" C 15 0.846 -0.262 0.832 19396 124 1 21 "Average Difference" CA 22 0.879 0.234 0.868 19396 125 1 21 "Average Difference" CB 22 4.407 -1.873 4.083 19396 126 1 21 "Average Difference" HN 23 0.347 -0.037 0.353 19396 127 1 22 "Average Difference" N 23 2.230 0.822 2.119 19396 128 1 22 "Average Difference" HA 27 0.243 -0.103 0.224 19396 129 1 22 "Average Difference" C 15 1.076 -0.137 1.105 19396 130 1 22 "Average Difference" CA 22 0.898 0.126 0.911 19396 131 1 22 "Average Difference" CB 22 4.445 -1.797 4.161 19396 132 1 22 "Average Difference" HN 23 0.455 0.006 0.465 19396 133 1 23 "Average Difference" N 23 2.309 0.673 2.258 19396 134 1 23 "Average Difference" HA 27 0.258 -0.091 0.246 19396 135 1 23 "Average Difference" C 15 1.047 -0.376 1.011 19396 136 1 23 "Average Difference" CA 22 0.970 0.111 0.987 19396 137 1 23 "Average Difference" CB 22 4.555 -1.813 4.277 19396 138 1 23 "Average Difference" HN 23 0.416 -0.025 0.425 19396 139 1 24 "Average Difference" N 23 2.081 0.548 2.053 19396 140 1 24 "Average Difference" HA 27 0.260 -0.124 0.234 19396 141 1 24 "Average Difference" C 15 1.036 -0.210 1.051 19396 142 1 24 "Average Difference" CA 22 1.129 0.288 1.118 19396 143 1 24 "Average Difference" CB 22 4.477 -1.845 4.175 19396 144 1 24 "Average Difference" HN 23 0.413 -0.025 0.421 19396 145 1 25 "Average Difference" N 23 2.329 0.726 2.263 19396 146 1 25 "Average Difference" HA 27 0.256 -0.095 0.242 19396 147 1 25 "Average Difference" C 15 0.922 -0.219 0.927 19396 148 1 25 "Average Difference" CA 22 1.090 0.268 1.082 19396 149 1 25 "Average Difference" CB 22 4.460 -1.777 4.187 19396 150 1 25 "Average Difference" HN 23 0.461 -0.038 0.470 19396 151 1 26 "Average Difference" N 23 2.194 0.774 2.099 19396 152 1 26 "Average Difference" HA 27 0.287 -0.070 0.284 19396 153 1 26 "Average Difference" C 15 1.125 -0.497 1.045 19396 154 1 26 "Average Difference" CA 22 0.857 0.147 0.865 19396 155 1 26 "Average Difference" CB 22 4.327 -1.720 4.063 19396 156 1 26 "Average Difference" HN 23 0.386 0.028 0.393 19396 157 1 27 "Average Difference" N 23 2.271 0.555 2.252 19396 158 1 27 "Average Difference" HA 27 0.264 -0.108 0.245 19396 159 1 27 "Average Difference" C 15 1.128 -0.234 1.143 19396 160 1 27 "Average Difference" CA 22 1.120 0.227 1.122 19396 161 1 27 "Average Difference" CB 22 4.635 -1.815 4.365 19396 162 1 27 "Average Difference" HN 23 0.466 -0.020 0.476 19396 163 1 28 "Average Difference" N 23 1.957 0.588 1.908 19396 164 1 28 "Average Difference" HA 27 0.248 -0.090 0.236 19396 165 1 28 "Average Difference" C 15 0.968 -0.205 0.980 19396 166 1 28 "Average Difference" CA 22 1.123 0.192 1.132 19396 167 1 28 "Average Difference" CB 22 4.549 -1.833 4.261 19396 168 1 28 "Average Difference" HN 23 0.454 -0.057 0.461 19396 169 1 29 "Average Difference" N 23 2.101 0.670 2.036 19396 170 1 29 "Average Difference" HA 27 0.246 -0.090 0.233 19396 171 1 29 "Average Difference" C 15 0.921 -0.242 0.920 19396 172 1 29 "Average Difference" CA 22 0.990 0.299 0.966 19396 173 1 29 "Average Difference" CB 22 4.558 -1.652 4.348 19396 174 1 29 "Average Difference" HN 23 0.433 -0.004 0.442 19396 175 1 30 "Average Difference" N 23 2.191 0.573 2.163 19396 176 1 30 "Average Difference" HA 27 0.266 -0.104 0.250 19396 177 1 30 "Average Difference" C 15 0.996 -0.339 0.969 19396 178 1 30 "Average Difference" CA 22 0.856 0.216 0.848 19396 179 1 30 "Average Difference" CB 22 4.223 -1.808 3.906 19396 180 1 30 "Average Difference" HN 23 0.377 0.001 0.386 19396 181 1 31 "Average Difference" N 23 1.915 0.610 1.856 19396 182 1 31 "Average Difference" HA 27 0.248 -0.115 0.224 19396 183 1 31 "Average Difference" C 15 0.827 -0.230 0.822 19396 184 1 31 "Average Difference" CA 22 0.908 0.327 0.867 19396 185 1 31 "Average Difference" CB 22 4.490 -1.784 4.217 19396 186 1 31 "Average Difference" HN 23 0.391 -0.039 0.398 19396 187 1 32 "Average Difference" N 23 1.836 0.549 1.791 19396 188 1 32 "Average Difference" HA 27 0.265 -0.062 0.263 19396 189 1 32 "Average Difference" C 15 0.918 -0.445 0.831 19396 190 1 32 "Average Difference" CA 22 0.741 0.086 0.753 19396 191 1 32 "Average Difference" CB 22 4.191 -1.653 3.942 19396 192 1 32 "Average Difference" HN 23 0.373 -0.059 0.376 19396 193 1 33 "Average Difference" N 23 1.778 0.690 1.675 19396 194 1 33 "Average Difference" HA 27 0.266 -0.071 0.261 19396 195 1 33 "Average Difference" C 15 1.010 -0.534 0.887 19396 196 1 33 "Average Difference" CA 22 0.897 0.107 0.911 19396 197 1 33 "Average Difference" CB 22 4.047 -1.739 3.741 19396 198 1 33 "Average Difference" HN 23 0.343 -0.015 0.350 19396 199 1 34 "Average Difference" N 23 2.288 0.580 2.263 19396 200 1 34 "Average Difference" HA 27 0.244 -0.080 0.235 19396 201 1 34 "Average Difference" C 15 0.976 -0.300 0.961 19396 202 1 34 "Average Difference" CA 22 0.909 0.197 0.908 19396 203 1 34 "Average Difference" CB 22 4.563 -1.919 4.237 19396 204 1 34 "Average Difference" HN 23 0.455 -0.020 0.465 19396 205 1 35 "Average Difference" N 23 1.805 0.554 1.757 19396 206 1 35 "Average Difference" HA 27 0.253 -0.111 0.232 19396 207 1 35 "Average Difference" C 15 0.951 -0.262 0.947 19396 208 1 35 "Average Difference" CA 22 0.912 0.121 0.925 19396 209 1 35 "Average Difference" CB 22 4.642 -1.896 4.337 19396 210 1 35 "Average Difference" HN 23 0.390 -0.021 0.398 19396 211 1 36 "Average Difference" N 23 2.050 0.505 2.031 19396 212 1 36 "Average Difference" HA 27 0.267 -0.106 0.250 19396 213 1 36 "Average Difference" C 15 1.036 -0.258 1.039 19396 214 1 36 "Average Difference" CA 22 1.149 0.239 1.150 19396 215 1 36 "Average Difference" CB 22 4.630 -1.818 4.359 19396 216 1 36 "Average Difference" HN 23 0.452 -0.055 0.459 19396 217 1 37 "Average Difference" N 23 1.934 0.366 1.942 19396 218 1 37 "Average Difference" HA 27 0.252 -0.091 0.239 19396 219 1 37 "Average Difference" C 15 0.977 -0.284 0.967 19396 220 1 37 "Average Difference" CA 22 0.854 0.162 0.858 19396 221 1 37 "Average Difference" CB 22 4.487 -1.772 4.219 19396 222 1 37 "Average Difference" HN 23 0.410 -0.046 0.417 19396 223 1 38 "Average Difference" N 23 1.898 0.817 1.751 19396 224 1 38 "Average Difference" HA 27 0.266 -0.086 0.256 19396 225 1 38 "Average Difference" C 15 0.953 -0.299 0.937 19396 226 1 38 "Average Difference" CA 22 0.742 0.194 0.734 19396 227 1 38 "Average Difference" CB 22 4.083 -1.753 3.774 19396 228 1 38 "Average Difference" HN 23 0.303 0.019 0.310 19396 229 1 39 "Average Difference" N 23 2.059 0.912 1.887 19396 230 1 39 "Average Difference" HA 27 0.247 -0.105 0.228 19396 231 1 39 "Average Difference" C 15 0.913 -0.150 0.932 19396 232 1 39 "Average Difference" CA 22 1.078 0.329 1.050 19396 233 1 39 "Average Difference" CB 22 4.433 -1.860 4.118 19396 234 1 39 "Average Difference" HN 23 0.449 -0.025 0.459 19396 235 1 40 "Average Difference" N 23 2.257 0.823 2.149 19396 236 1 40 "Average Difference" HA 27 0.256 -0.074 0.250 19396 237 1 40 "Average Difference" C 15 1.083 -0.416 1.035 19396 238 1 40 "Average Difference" CA 22 1.146 0.223 1.150 19396 239 1 40 "Average Difference" CB 22 4.665 -1.887 4.367 19396 240 1 40 "Average Difference" HN 23 0.487 -0.052 0.495 19396 241 1 41 "Average Difference" N 23 1.905 0.341 1.916 19396 242 1 41 "Average Difference" HA 27 0.225 -0.085 0.213 19396 243 1 41 "Average Difference" C 15 1.070 -0.154 1.096 19396 244 1 41 "Average Difference" CA 22 0.864 0.147 0.872 19396 245 1 41 "Average Difference" CB 22 4.653 -1.864 4.364 19396 246 1 41 "Average Difference" HN 23 0.383 -0.045 0.389 19396 247 1 42 "Average Difference" N 23 1.665 0.277 1.679 19396 248 1 42 "Average Difference" HA 27 0.241 -0.092 0.227 19396 249 1 42 "Average Difference" C 15 1.150 -0.239 1.165 19396 250 1 42 "Average Difference" CA 22 1.043 0.223 1.043 19396 251 1 42 "Average Difference" CB 22 4.530 -1.874 4.221 19396 252 1 42 "Average Difference" HN 23 0.360 -0.049 0.364 19396 253 1 43 "Average Difference" N 23 2.004 0.515 1.980 19396 254 1 43 "Average Difference" HA 27 0.251 -0.089 0.239 19396 255 1 43 "Average Difference" C 15 0.982 -0.306 0.966 19396 256 1 43 "Average Difference" CA 22 1.103 0.227 1.105 19396 257 1 43 "Average Difference" CB 22 4.579 -1.864 4.281 19396 258 1 43 "Average Difference" HN 23 0.440 -0.014 0.450 19396 259 1 44 "Average Difference" N 23 2.144 0.392 2.156 19396 260 1 44 "Average Difference" HA 27 0.266 -0.093 0.254 19396 261 1 44 "Average Difference" C 15 1.130 -0.299 1.128 19396 262 1 44 "Average Difference" CA 22 0.812 0.139 0.819 19396 263 1 44 "Average Difference" CB 22 4.695 -1.868 4.409 19396 264 1 44 "Average Difference" HN 23 0.409 -0.019 0.418 19396 265 1 45 "Average Difference" N 23 1.985 0.556 1.948 19396 266 1 45 "Average Difference" HA 27 0.246 -0.093 0.233 19396 267 1 45 "Average Difference" C 15 0.987 -0.318 0.967 19396 268 1 45 "Average Difference" CA 22 0.993 0.083 1.013 19396 269 1 45 "Average Difference" CB 22 4.558 -1.898 4.242 19396 270 1 45 "Average Difference" HN 23 0.409 -0.075 0.411 19396 271 1 46 "Average Difference" N 23 2.150 0.886 2.003 19396 272 1 46 "Average Difference" HA 27 0.253 -0.092 0.240 19396 273 1 46 "Average Difference" C 15 1.017 -0.278 1.013 19396 274 1 46 "Average Difference" CA 22 1.183 0.146 1.202 19396 275 1 46 "Average Difference" CB 22 4.598 -1.826 4.320 19396 276 1 46 "Average Difference" HN 23 0.454 -0.040 0.462 19396 277 1 47 "Average Difference" N 23 2.081 0.627 2.029 19396 278 1 47 "Average Difference" HA 27 0.288 -0.095 0.277 19396 279 1 47 "Average Difference" C 15 0.995 -0.466 0.910 19396 280 1 47 "Average Difference" CA 22 0.871 0.122 0.883 19396 281 1 47 "Average Difference" CB 22 4.092 -1.773 3.774 19396 282 1 47 "Average Difference" HN 23 0.392 -0.008 0.401 19396 283 1 48 "Average Difference" N 23 2.131 0.786 2.026 19396 284 1 48 "Average Difference" HA 27 0.236 -0.083 0.226 19396 285 1 48 "Average Difference" C 15 1.092 -0.264 1.097 19396 286 1 48 "Average Difference" CA 22 1.105 0.189 1.114 19396 287 1 48 "Average Difference" CB 22 4.662 -1.872 4.370 19396 288 1 48 "Average Difference" HN 23 0.444 -0.037 0.452 19396 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 19396 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 122.568 122.568 122.816 -0.248 19396 2 1 . 1 1 2 2 LEU HA H 2 4.646 4.646 4.483 0.163 19396 3 1 . 1 1 2 2 LEU CA C 2 53.404 53.404 53.648 -0.244 19396 4 1 . 1 1 2 2 LEU CB C 2 42.567 42.567 42.652 -0.085 19396 5 1 . 1 1 2 2 LEU H H 2 8.622 8.622 8.244 0.378 19396 6 1 . 1 1 3 3 PRO HA H 3 4.500 4.500 4.577 -0.077 19396 7 1 . 1 1 3 3 PRO C C 3 177.335 177.335 177.536 -0.201 19396 8 1 . 1 1 3 3 PRO CA C 3 62.864 62.864 62.301 0.563 19396 9 1 . 1 1 3 3 PRO CB C 3 32.406 32.406 32.785 -0.379 19396 10 1 . 1 1 4 4 ARG N N 4 124.305 124.305 122.602 1.703 19396 11 1 . 1 1 4 4 ARG HA H 4 3.994 3.994 3.922 0.072 19396 12 1 . 1 1 4 4 ARG CA C 4 59.115 59.115 60.000 -0.885 19396 13 1 . 1 1 4 4 ARG CB C 4 30.298 30.298 29.885 0.413 19396 14 1 . 1 1 4 4 ARG H H 4 8.721 8.721 8.807 -0.086 19396 15 1 . 1 1 5 5 LYS N N 5 117.116 117.116 118.029 -0.913 19396 16 1 . 1 1 5 5 LYS HA H 5 4.048 4.048 4.133 -0.085 19396 17 1 . 1 1 5 5 LYS C C 5 178.657 178.657 177.864 0.793 19396 18 1 . 1 1 5 5 LYS CA C 5 59.163 59.163 58.801 0.362 19396 19 1 . 1 1 5 5 LYS CB C 5 32.635 32.635 31.822 0.813 19396 20 1 . 1 1 5 5 LYS H H 5 8.686 8.686 8.320 0.366 19396 21 1 . 1 1 6 6 ILE N N 6 119.465 119.465 118.890 0.575 19396 22 1 . 1 1 6 6 ILE HA H 6 4.007 4.007 4.006 0.001 19396 23 1 . 1 1 6 6 ILE C C 6 180.162 180.162 177.844 2.318 19396 24 1 . 1 1 6 6 ILE CA C 6 62.758 62.758 63.141 -0.383 19396 25 1 . 1 1 6 6 ILE CB C 6 37.885 37.885 38.789 -0.904 19396 26 1 . 1 1 6 6 ILE H H 6 7.364 7.364 7.559 -0.195 19396 27 1 . 1 1 7 7 LEU N N 7 121.958 121.958 121.917 0.041 19396 28 1 . 1 1 7 7 LEU HA H 7 4.038 4.038 3.950 0.088 19396 29 1 . 1 1 7 7 LEU C C 7 179.647 179.647 178.484 1.163 19396 30 1 . 1 1 7 7 LEU CA C 7 58.045 58.045 57.866 0.179 19396 31 1 . 1 1 7 7 LEU CB C 7 42.252 42.252 41.353 0.899 19396 32 1 . 1 1 7 7 LEU H H 7 8.080 8.080 8.435 -0.355 19396 33 1 . 1 1 8 8 CYS N N 8 115.638 115.638 118.400 -2.762 19396 34 1 . 1 1 8 8 CYS HA H 8 4.548 4.548 4.035 0.513 19396 35 1 . 1 1 8 8 CYS CB C 8 36.142 36.142 25.316 10.826 19396 36 1 . 1 1 8 8 CYS H H 8 8.730 8.730 8.233 0.497 19396 37 1 . 1 1 9 9 ALA N N 9 124.009 124.009 122.943 1.067 19396 38 1 . 1 1 9 9 ALA HA H 9 4.184 4.184 4.039 0.145 19396 39 1 . 1 1 9 9 ALA C C 9 180.836 180.836 179.328 1.508 19396 40 1 . 1 1 9 9 ALA CA C 9 55.477 55.477 55.194 0.283 19396 41 1 . 1 1 9 9 ALA CB C 9 18.171 18.171 18.354 -0.183 19396 42 1 . 1 1 9 9 ALA H H 9 7.736 7.736 7.731 0.005 19396 43 1 . 1 1 10 10 ILE N N 10 119.305 119.305 118.644 0.661 19396 44 1 . 1 1 10 10 ILE HA H 10 3.739 3.739 3.764 -0.025 19396 45 1 . 1 1 10 10 ILE C C 10 177.596 177.596 177.913 -0.317 19396 46 1 . 1 1 10 10 ILE CA C 10 64.534 64.534 63.208 1.326 19396 47 1 . 1 1 10 10 ILE CB C 10 38.223 38.223 36.959 1.264 19396 48 1 . 1 1 10 10 ILE H H 10 8.101 8.101 7.472 0.629 19396 49 1 . 1 1 11 11 ALA N N 11 121.508 121.508 122.991 -1.483 19396 50 1 . 1 1 11 11 ALA HA H 11 3.942 3.942 3.991 -0.049 19396 51 1 . 1 1 11 11 ALA C C 11 179.663 179.663 179.531 0.132 19396 52 1 . 1 1 11 11 ALA CA C 11 55.290 55.290 55.530 -0.240 19396 53 1 . 1 1 11 11 ALA CB C 11 18.434 18.434 18.331 0.103 19396 54 1 . 1 1 11 11 ALA H H 11 7.999 7.999 8.576 -0.577 19396 55 1 . 1 1 12 12 LYS N N 12 115.687 115.687 116.910 -1.223 19396 56 1 . 1 1 12 12 LYS HA H 12 4.059 4.059 4.117 -0.058 19396 57 1 . 1 1 12 12 LYS CA C 12 59.187 59.187 58.668 0.519 19396 58 1 . 1 1 12 12 LYS CB C 12 32.600 32.600 32.421 0.179 19396 59 1 . 1 1 12 12 LYS H H 12 8.058 8.058 7.839 0.219 19396 60 1 . 1 1 13 13 LYS N N 13 120.587 120.587 119.663 0.924 19396 61 1 . 1 1 13 13 LYS HA H 13 4.143 4.143 4.148 -0.005 19396 62 1 . 1 1 13 13 LYS C C 13 178.141 178.141 178.474 -0.333 19396 63 1 . 1 1 13 13 LYS CA C 13 58.685 58.685 58.605 0.080 19396 64 1 . 1 1 13 13 LYS CB C 13 32.600 32.600 32.613 -0.013 19396 65 1 . 1 1 13 13 LYS H H 13 7.826 7.826 7.668 0.158 19396 66 1 . 1 1 14 14 LYS N N 14 116.430 116.430 116.564 -0.134 19396 67 1 . 1 1 14 14 LYS HA H 14 4.288 4.288 4.333 -0.045 19396 68 1 . 1 1 14 14 LYS CA C 14 56.651 56.651 55.730 0.921 19396 69 1 . 1 1 14 14 LYS CB C 14 32.979 32.979 32.885 0.094 19396 70 1 . 1 1 14 14 LYS H H 14 8.025 8.025 8.131 -0.106 19396 71 1 . 1 1 15 15 GLY N N 15 108.661 108.661 107.217 1.444 19396 72 1 . 1 1 15 15 GLY C C 15 174.966 174.966 174.678 0.288 19396 73 1 . 1 1 15 15 GLY CA C 15 46.409 46.409 45.562 0.847 19396 74 1 . 1 1 15 15 GLY H H 15 7.885 7.885 7.885 0.000 19396 75 1 . 1 1 16 16 LYS N N 16 117.160 117.160 119.755 -2.595 19396 76 1 . 1 1 16 16 LYS HA H 16 4.407 4.407 4.528 -0.121 19396 77 1 . 1 1 16 16 LYS C C 16 175.840 175.840 175.793 0.047 19396 78 1 . 1 1 16 16 LYS CA C 16 54.744 54.744 55.425 -0.681 19396 79 1 . 1 1 16 16 LYS CB C 16 32.897 32.897 33.076 -0.179 19396 80 1 . 1 1 16 16 LYS H H 16 8.299 8.299 8.128 0.171 19396 81 1 . 1 1 17 17 CYS N N 17 123.378 123.378 121.822 1.556 19396 82 1 . 1 1 17 17 CYS HA H 17 4.331 4.331 4.456 -0.125 19396 83 1 . 1 1 17 17 CYS C C 17 172.022 172.022 173.398 -1.376 19396 84 1 . 1 1 17 17 CYS CA C 17 56.795 56.795 59.380 -2.585 19396 85 1 . 1 1 17 17 CYS CB C 17 39.930 39.930 26.282 13.648 19396 86 1 . 1 1 17 17 CYS H H 17 8.691 8.691 8.015 0.676 19396 87 1 . 1 1 18 18 LYS N N 18 121.370 121.370 126.038 -4.668 19396 88 1 . 1 1 18 18 LYS HA H 18 4.538 4.538 4.467 0.071 19396 89 1 . 1 1 18 18 LYS CB C 18 35.840 35.840 35.544 0.296 19396 90 1 . 1 1 18 18 LYS H H 18 7.708 7.708 8.129 -0.421 19396 91 1 . 1 1 19 19 GLY N N 19 111.141 111.141 109.874 1.267 19396 92 1 . 1 1 19 19 GLY C C 19 174.356 174.356 173.684 0.672 19396 93 1 . 1 1 19 19 GLY CA C 19 45.353 45.353 46.401 -1.048 19396 94 1 . 1 1 19 19 GLY H H 19 9.036 9.036 8.521 0.515 19396 95 1 . 1 1 20 20 PRO HA H 20 4.371 4.371 4.311 0.060 19396 96 1 . 1 1 20 20 PRO C C 20 178.505 178.505 178.134 0.371 19396 97 1 . 1 1 20 20 PRO CA C 20 64.938 64.938 65.222 -0.284 19396 98 1 . 1 1 20 20 PRO CB C 20 32.256 32.256 31.752 0.504 19396 99 1 . 1 1 21 21 LEU N N 21 116.727 116.727 119.146 -2.419 19396 100 1 . 1 1 21 21 LEU HA H 21 4.154 4.154 4.126 0.028 19396 101 1 . 1 1 21 21 LEU CA C 21 56.895 56.895 57.443 -0.548 19396 102 1 . 1 1 21 21 LEU CB C 21 41.972 41.972 41.561 0.411 19396 103 1 . 1 1 21 21 LEU H H 21 7.625 7.625 7.966 -0.341 19396 104 1 . 1 1 22 22 LYS N N 22 118.668 118.668 119.642 -0.974 19396 105 1 . 1 1 22 22 LYS HA H 22 4.063 4.063 4.037 0.026 19396 106 1 . 1 1 22 22 LYS CA C 22 59.719 59.719 59.331 0.388 19396 107 1 . 1 1 22 22 LYS CB C 22 32.167 32.167 32.176 -0.009 19396 108 1 . 1 1 22 22 LYS H H 22 7.583 7.583 7.484 0.099 19396 109 1 . 1 1 23 23 LEU N N 23 116.195 116.195 119.759 -3.564 19396 110 1 . 1 1 23 23 LEU HA H 23 4.270 4.270 4.109 0.161 19396 111 1 . 1 1 23 23 LEU CA C 23 56.820 56.820 57.616 -0.796 19396 112 1 . 1 1 23 23 LEU CB C 23 41.944 41.944 41.942 0.002 19396 113 1 . 1 1 23 23 LEU H H 23 7.330 7.330 7.692 -0.362 19396 114 1 . 1 1 24 24 VAL N N 24 115.225 115.225 118.284 -3.059 19396 115 1 . 1 1 24 24 VAL HA H 24 3.982 3.982 3.771 0.211 19396 116 1 . 1 1 24 24 VAL CA C 24 64.319 64.319 65.645 -1.326 19396 117 1 . 1 1 24 24 VAL CB C 24 33.258 33.258 32.270 0.988 19396 118 1 . 1 1 24 24 VAL H H 24 7.326 7.326 8.111 -0.785 19396 119 1 . 1 1 25 25 CYS N N 25 115.376 115.376 116.708 -1.332 19396 120 1 . 1 1 25 25 CYS HA H 25 4.061 4.061 4.587 -0.526 19396 121 1 . 1 1 25 25 CYS C C 25 174.297 174.297 174.079 0.218 19396 122 1 . 1 1 25 25 CYS CB C 25 38.233 38.233 27.684 10.549 19396 123 1 . 1 1 25 25 CYS H H 25 8.258 8.258 8.283 -0.025 19396 124 1 . 1 1 26 26 LYS N N 26 119.613 119.613 119.383 0.230 19396 125 1 . 1 1 26 26 LYS HA H 26 4.173 4.173 4.027 0.146 19396 126 1 . 1 1 26 26 LYS C C 26 175.125 175.125 175.445 -0.320 19396 127 1 . 1 1 26 26 LYS CA C 26 56.792 56.792 57.005 -0.213 19396 128 1 . 1 1 26 26 LYS H H 26 7.978 7.978 7.994 -0.016 19396 stop_ save_