data_19942 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19942 _Entry.PDB_ID 2MOG 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 19942 _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 3 3 ALA N N 3 123.810 123.810 120.715 3.095 19942 2 1 1 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.282 -0.073 19942 3 1 1 . 1 1 3 3 ALA C C 3 177.476 177.476 177.523 -0.047 19942 4 1 1 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.666 0.784 19942 5 1 1 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.446 0.071 19942 6 1 1 . 1 1 3 3 ALA H H 3 8.387 8.387 7.798 0.589 19942 7 1 1 . 1 1 4 4 THR N N 4 113.060 113.060 114.482 -1.422 19942 8 1 1 . 1 1 4 4 THR HA H 4 4.621 4.621 4.721 -0.100 19942 9 1 1 . 1 1 4 4 THR C C 4 174.426 174.426 173.950 0.476 19942 10 1 1 . 1 1 4 4 THR CA C 4 60.020 60.020 60.490 -0.471 19942 11 1 1 . 1 1 4 4 THR CB C 4 71.041 71.041 71.254 -0.213 19942 12 1 1 . 1 1 4 4 THR H H 4 8.593 8.593 8.368 0.225 19942 13 1 1 . 1 1 5 5 LEU N N 5 125.889 125.889 122.417 3.472 19942 14 1 1 . 1 1 5 5 LEU HA H 5 3.436 3.436 3.996 -0.560 19942 15 1 1 . 1 1 5 5 LEU C C 5 175.432 175.432 176.338 -0.906 19942 16 1 1 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.850 0.341 19942 17 1 1 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.626 -1.367 19942 18 1 1 . 1 1 5 5 LEU H H 5 8.888 8.888 8.507 0.381 19942 19 1 1 . 1 1 6 6 SER N N 6 123.564 123.564 122.429 1.135 19942 20 1 1 . 1 1 6 6 SER HA H 6 4.574 4.574 4.365 0.209 19942 21 1 1 . 1 1 6 6 SER C C 6 174.217 174.217 174.831 -0.614 19942 22 1 1 . 1 1 6 6 SER CA C 6 59.688 59.688 60.068 -0.380 19942 23 1 1 . 1 1 6 6 SER CB C 6 64.300 64.300 63.739 0.561 19942 24 1 1 . 1 1 6 6 SER H H 6 9.155 9.155 8.879 0.276 19942 25 1 1 . 1 1 7 7 SER N N 7 112.212 112.212 111.353 0.859 19942 26 1 1 . 1 1 7 7 SER HA H 7 4.499 4.499 4.682 -0.183 19942 27 1 1 . 1 1 7 7 SER C C 7 171.592 171.592 172.254 -0.662 19942 28 1 1 . 1 1 7 7 SER CA C 7 57.676 57.676 57.371 0.305 19942 29 1 1 . 1 1 7 7 SER CB C 7 64.795 64.795 65.469 -0.674 19942 30 1 1 . 1 1 7 7 SER H H 7 7.913 7.913 7.720 0.193 19942 31 1 1 . 1 1 8 8 ILE N N 8 120.132 120.132 121.172 -1.040 19942 32 1 1 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.289 0.372 19942 33 1 1 . 1 1 8 8 ILE C C 8 174.094 174.094 174.872 -0.778 19942 34 1 1 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.217 0.100 19942 35 1 1 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.116 2.810 19942 36 1 1 . 1 1 8 8 ILE H H 8 8.628 8.628 8.293 0.335 19942 37 1 1 . 1 1 9 9 SER N N 9 120.939 120.939 124.066 -3.127 19942 38 1 1 . 1 1 9 9 SER HA H 9 4.907 4.907 4.875 0.032 19942 39 1 1 . 1 1 9 9 SER C C 9 173.176 173.176 172.864 0.312 19942 40 1 1 . 1 1 9 9 SER CA C 9 56.291 56.291 57.127 -0.836 19942 41 1 1 . 1 1 9 9 SER CB C 9 65.325 65.325 66.219 -0.894 19942 42 1 1 . 1 1 9 9 SER H H 9 8.761 8.761 8.736 0.025 19942 43 1 1 . 1 1 10 10 ILE N N 10 126.047 126.047 123.035 3.012 19942 44 1 1 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.430 1.047 19942 45 1 1 . 1 1 10 10 ILE C C 10 175.259 175.259 175.750 -0.491 19942 46 1 1 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.610 -1.518 19942 47 1 1 . 1 1 10 10 ILE CB C 10 39.842 39.842 40.115 -0.273 19942 48 1 1 . 1 1 10 10 ILE H H 10 8.852 8.852 8.525 0.327 19942 49 1 1 . 1 1 11 11 SER N N 11 122.938 122.938 123.267 -0.329 19942 50 1 1 . 1 1 11 11 SER HA H 11 4.704 4.704 4.973 -0.269 19942 51 1 1 . 1 1 11 11 SER C C 11 170.288 170.288 173.671 -3.383 19942 52 1 1 . 1 1 11 11 SER CA C 11 55.401 55.401 56.276 -0.875 19942 53 1 1 . 1 1 11 11 SER CB C 11 65.248 65.248 64.448 0.800 19942 54 1 1 . 1 1 11 11 SER H H 11 9.108 9.108 9.155 -0.047 19942 55 1 1 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.351 0.346 19942 56 1 1 . 1 1 12 12 PRO C C 12 175.467 175.467 176.680 -1.213 19942 57 1 1 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.243 -1.787 19942 58 1 1 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.157 2.749 19942 59 1 1 . 1 1 13 13 ILE N N 13 118.003 118.003 118.812 -0.809 19942 60 1 1 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.142 0.209 19942 61 1 1 . 1 1 13 13 ILE C C 13 176.535 176.535 177.440 -0.905 19942 62 1 1 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.299 0.793 19942 63 1 1 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.394 0.839 19942 64 1 1 . 1 1 13 13 ILE H H 13 8.233 8.233 8.263 -0.030 19942 65 1 1 . 1 1 14 14 ASN N N 14 122.727 122.727 122.199 0.528 19942 66 1 1 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.658 0.118 19942 67 1 1 . 1 1 14 14 ASN C C 14 175.286 175.286 175.621 -0.335 19942 68 1 1 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.014 -0.428 19942 69 1 1 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.696 -1.200 19942 70 1 1 . 1 1 14 14 ASN H H 14 8.501 8.501 8.566 -0.065 19942 71 1 1 . 1 1 15 15 THR N N 15 114.899 114.899 112.007 2.892 19942 72 1 1 . 1 1 15 15 THR HA H 15 4.587 4.587 4.312 0.275 19942 73 1 1 . 1 1 15 15 THR C C 15 173.339 173.339 173.274 0.065 19942 74 1 1 . 1 1 15 15 THR CA C 15 61.059 61.059 62.587 -1.528 19942 75 1 1 . 1 1 15 15 THR CB C 15 69.683 69.683 68.336 1.347 19942 76 1 1 . 1 1 15 15 THR H H 15 8.878 8.878 8.391 0.487 19942 77 1 1 . 1 1 16 16 ASN N N 16 119.994 119.994 124.366 -4.372 19942 78 1 1 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.370 0.444 19942 79 1 1 . 1 1 16 16 ASN C C 16 173.995 173.995 173.565 0.430 19942 80 1 1 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.252 0.134 19942 81 1 1 . 1 1 16 16 ASN CB C 16 41.379 41.379 43.296 -1.917 19942 82 1 1 . 1 1 16 16 ASN H H 16 8.293 8.293 8.054 0.239 19942 83 1 1 . 1 1 17 17 ILE N N 17 118.356 118.356 121.964 -3.608 19942 84 1 1 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.404 0.319 19942 85 1 1 . 1 1 17 17 ILE C C 17 173.556 173.556 174.615 -1.059 19942 86 1 1 . 1 1 17 17 ILE CA C 17 59.491 59.491 58.164 1.327 19942 87 1 1 . 1 1 17 17 ILE CB C 17 42.437 42.437 39.951 2.486 19942 88 1 1 . 1 1 17 17 ILE H H 17 8.962 8.962 8.189 0.773 19942 89 1 1 . 1 1 18 18 ASN N N 18 122.798 122.798 122.913 -0.115 19942 90 1 1 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.861 0.678 19942 91 1 1 . 1 1 18 18 ASN C C 18 176.607 176.607 177.372 -0.765 19942 92 1 1 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.882 -1.590 19942 93 1 1 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.177 0.166 19942 94 1 1 . 1 1 18 18 ASN H H 18 8.404 8.404 8.594 -0.190 19942 95 1 1 . 1 1 19 19 THR C C 19 175.737 175.737 174.485 1.252 19942 96 1 1 . 1 1 19 19 THR CA C 19 62.695 62.695 65.050 -2.355 19942 97 1 1 . 1 1 19 19 THR CB C 19 68.758 68.758 69.071 -0.313 19942 98 1 1 . 1 1 20 20 THR N N 20 113.750 113.750 115.437 -1.687 19942 99 1 1 . 1 1 20 20 THR HA H 20 4.281 4.281 4.530 -0.249 19942 100 1 1 . 1 1 20 20 THR C C 20 173.630 173.630 173.202 0.428 19942 101 1 1 . 1 1 20 20 THR CA C 20 64.559 64.559 61.937 2.622 19942 102 1 1 . 1 1 20 20 THR CB C 20 69.925 69.925 68.746 1.179 19942 103 1 1 . 1 1 20 20 THR H H 20 8.400 8.400 8.081 0.319 19942 104 1 1 . 1 1 21 21 VAL N N 21 124.237 124.237 121.530 2.707 19942 105 1 1 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.521 -0.273 19942 106 1 1 . 1 1 21 21 VAL C C 21 175.464 175.464 175.141 0.323 19942 107 1 1 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.256 2.017 19942 108 1 1 . 1 1 21 21 VAL H H 21 7.953 7.953 7.685 0.268 19942 109 1 1 . 1 1 22 22 SER HA H 22 5.542 5.542 4.764 0.778 19942 110 1 1 . 1 1 22 22 SER C C 22 173.145 173.145 173.662 -0.517 19942 111 1 1 . 1 1 22 22 SER CA C 22 58.153 58.153 57.382 0.771 19942 112 1 1 . 1 1 22 22 SER CB C 22 64.768 64.768 64.249 0.519 19942 113 1 1 . 1 1 23 23 LYS N N 23 124.177 124.177 122.683 1.494 19942 114 1 1 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.414 0.096 19942 115 1 1 . 1 1 23 23 LYS C C 23 173.847 173.847 174.108 -0.261 19942 116 1 1 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.670 -0.719 19942 117 1 1 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.583 1.333 19942 118 1 1 . 1 1 23 23 LYS H H 23 9.372 9.372 8.516 0.856 19942 119 1 1 . 1 1 24 24 GLN N N 24 128.777 128.777 126.092 2.685 19942 120 1 1 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.349 -0.665 19942 121 1 1 . 1 1 24 24 GLN C C 24 173.229 173.229 173.983 -0.754 19942 122 1 1 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.860 2.268 19942 123 1 1 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.262 -1.744 19942 124 1 1 . 1 1 24 24 GLN H H 24 8.742 8.742 8.280 0.462 19942 125 1 1 . 1 1 25 25 PHE N N 25 128.481 128.481 118.857 9.624 19942 126 1 1 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.724 0.281 19942 127 1 1 . 1 1 25 25 PHE C C 25 174.268 174.268 173.423 0.845 19942 128 1 1 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.264 2.094 19942 129 1 1 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.549 0.284 19942 130 1 1 . 1 1 25 25 PHE H H 25 7.728 7.728 6.444 1.284 19942 131 1 1 . 1 1 26 26 PHE N N 26 114.641 114.641 118.527 -3.886 19942 132 1 1 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.119 0.408 19942 133 1 1 . 1 1 26 26 PHE C C 26 175.679 175.679 175.330 0.349 19942 134 1 1 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.735 0.416 19942 135 1 1 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.407 0.330 19942 136 1 1 . 1 1 26 26 PHE H H 26 9.354 9.354 7.805 1.549 19942 137 1 1 . 1 1 27 27 ALA N N 27 123.352 123.352 124.205 -0.853 19942 138 1 1 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.081 0.124 19942 139 1 1 . 1 1 27 27 ALA C C 27 174.966 174.966 175.598 -0.632 19942 140 1 1 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.591 -0.645 19942 141 1 1 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.837 0.053 19942 142 1 1 . 1 1 27 27 ALA H H 27 8.935 8.935 9.588 -0.653 19942 143 1 1 . 1 1 28 28 VAL N N 28 122.875 122.875 123.817 -0.942 19942 144 1 1 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.529 0.138 19942 145 1 1 . 1 1 28 28 VAL C C 28 177.371 177.371 174.835 2.536 19942 146 1 1 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.711 0.503 19942 147 1 1 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.822 -0.527 19942 148 1 1 . 1 1 28 28 VAL H H 28 8.933 8.933 8.584 0.349 19942 149 1 1 . 1 1 29 29 GLY N N 29 118.628 118.628 113.532 5.096 19942 150 1 1 . 1 1 29 29 GLY C C 29 171.637 171.637 172.339 -0.702 19942 151 1 1 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.916 1.140 19942 152 1 1 . 1 1 29 29 GLY H H 29 9.852 9.852 8.285 1.567 19942 153 1 1 . 1 1 30 30 THR N N 30 119.749 119.749 119.557 0.192 19942 154 1 1 . 1 1 30 30 THR HA H 30 5.033 5.033 5.128 -0.095 19942 155 1 1 . 1 1 30 30 THR C C 30 173.854 173.854 173.665 0.189 19942 156 1 1 . 1 1 30 30 THR CA C 30 62.384 62.384 61.636 0.747 19942 157 1 1 . 1 1 30 30 THR CB C 30 69.631 69.631 70.802 -1.171 19942 158 1 1 . 1 1 30 30 THR H H 30 8.632 8.632 7.890 0.742 19942 159 1 1 . 1 1 31 31 TYR N N 31 126.778 126.778 126.810 -0.032 19942 160 1 1 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.748 0.271 19942 161 1 1 . 1 1 31 31 TYR C C 31 179.438 179.438 178.313 1.125 19942 162 1 1 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.055 -0.043 19942 163 1 1 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.444 1.426 19942 164 1 1 . 1 1 31 31 TYR H H 31 9.411 9.411 9.241 0.170 19942 165 1 1 . 1 1 32 32 SER N N 32 118.249 118.249 119.061 -0.812 19942 166 1 1 . 1 1 32 32 SER HA H 32 4.112 4.112 4.180 -0.068 19942 167 1 1 . 1 1 32 32 SER C C 32 174.175 174.175 175.198 -1.023 19942 168 1 1 . 1 1 32 32 SER CA C 32 61.407 61.407 61.204 0.203 19942 169 1 1 . 1 1 32 32 SER CB C 32 62.779 62.779 62.911 -0.132 19942 170 1 1 . 1 1 32 32 SER H H 32 9.767 9.767 8.696 1.071 19942 171 1 1 . 1 1 33 33 ASP N N 33 119.614 119.614 120.247 -0.633 19942 172 1 1 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.640 0.094 19942 173 1 1 . 1 1 33 33 ASP C C 33 177.097 177.097 177.154 -0.057 19942 174 1 1 . 1 1 33 33 ASP CA C 33 52.676 52.676 53.513 -0.837 19942 175 1 1 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.588 -0.067 19942 176 1 1 . 1 1 33 33 ASP H H 33 7.702 7.702 7.910 -0.208 19942 177 1 1 . 1 1 34 34 GLY N N 34 108.749 108.749 107.864 0.885 19942 178 1 1 . 1 1 34 34 GLY C C 34 174.828 174.828 174.602 0.226 19942 179 1 1 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.626 -0.333 19942 180 1 1 . 1 1 34 34 GLY H H 34 8.420 8.420 8.306 0.114 19942 181 1 1 . 1 1 35 35 THR N N 35 113.544 113.544 116.760 -3.216 19942 182 1 1 . 1 1 35 35 THR HA H 35 4.297 4.297 4.467 -0.170 19942 183 1 1 . 1 1 35 35 THR C C 35 173.074 173.074 173.459 -0.385 19942 184 1 1 . 1 1 35 35 THR CA C 35 62.762 62.762 62.262 0.500 19942 185 1 1 . 1 1 35 35 THR CB C 35 71.079 71.079 70.213 0.866 19942 186 1 1 . 1 1 35 35 THR H H 35 7.863 7.863 7.782 0.081 19942 187 1 1 . 1 1 36 36 LYS N N 36 118.248 118.248 122.441 -4.193 19942 188 1 1 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.349 0.578 19942 189 1 1 . 1 1 36 36 LYS C C 36 176.847 176.847 175.322 1.525 19942 190 1 1 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.102 -0.571 19942 191 1 1 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.200 0.723 19942 192 1 1 . 1 1 36 36 LYS H H 36 8.374 8.374 8.476 -0.102 19942 193 1 1 . 1 1 37 37 ALA N N 37 121.621 121.621 124.826 -3.205 19942 194 1 1 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.565 0.103 19942 195 1 1 . 1 1 37 37 ALA C C 37 175.556 175.556 174.670 0.886 19942 196 1 1 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.833 -0.456 19942 197 1 1 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.832 1.705 19942 198 1 1 . 1 1 37 37 ALA H H 37 8.892 8.892 8.461 0.431 19942 199 1 1 . 1 1 38 38 ASP N N 38 121.602 121.602 121.202 0.400 19942 200 1 1 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.034 -0.174 19942 201 1 1 . 1 1 38 38 ASP C C 38 176.487 176.487 176.816 -0.329 19942 202 1 1 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.029 1.205 19942 203 1 1 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.089 -0.314 19942 204 1 1 . 1 1 38 38 ASP H H 38 8.983 8.983 8.500 0.483 19942 205 1 1 . 1 1 39 39 LEU N N 39 128.342 128.342 127.316 1.026 19942 206 1 1 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.646 0.215 19942 207 1 1 . 1 1 39 39 LEU C C 39 177.565 177.565 178.064 -0.499 19942 208 1 1 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.407 -0.817 19942 209 1 1 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.958 1.975 19942 210 1 1 . 1 1 39 39 LEU H H 39 9.218 9.218 8.390 0.828 19942 211 1 1 . 1 1 40 40 THR N N 40 122.567 122.567 117.306 5.261 19942 212 1 1 . 1 1 40 40 THR HA H 40 4.526 4.526 4.345 0.181 19942 213 1 1 . 1 1 40 40 THR C C 40 174.562 174.562 176.503 -1.941 19942 214 1 1 . 1 1 40 40 THR CA C 40 69.870 69.870 68.275 1.595 19942 215 1 1 . 1 1 40 40 THR CB C 40 69.268 69.268 69.021 0.247 19942 216 1 1 . 1 1 40 40 THR H H 40 8.983 8.983 9.430 -0.447 19942 217 1 1 . 1 1 41 41 SER N N 41 109.895 109.895 113.088 -3.193 19942 218 1 1 . 1 1 41 41 SER HA H 41 4.465 4.465 4.523 -0.058 19942 219 1 1 . 1 1 41 41 SER C C 41 174.686 174.686 175.976 -1.290 19942 220 1 1 . 1 1 41 41 SER CA C 41 59.960 59.960 60.623 -0.663 19942 221 1 1 . 1 1 41 41 SER CB C 41 63.643 63.643 62.935 0.708 19942 222 1 1 . 1 1 41 41 SER H H 41 8.749 8.749 8.540 0.209 19942 223 1 1 . 1 1 42 42 SER N N 42 117.037 117.037 117.264 -0.227 19942 224 1 1 . 1 1 42 42 SER HA H 42 4.706 4.706 4.735 -0.029 19942 225 1 1 . 1 1 42 42 SER C C 42 175.240 175.240 174.625 0.615 19942 226 1 1 . 1 1 42 42 SER CA C 42 59.742 59.742 59.147 0.595 19942 227 1 1 . 1 1 42 42 SER CB C 42 64.724 64.724 64.015 0.709 19942 228 1 1 . 1 1 42 42 SER H H 42 8.056 8.056 8.113 -0.057 19942 229 1 1 . 1 1 43 43 VAL N N 43 113.914 113.914 118.053 -4.139 19942 230 1 1 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.835 -0.523 19942 231 1 1 . 1 1 43 43 VAL C C 43 174.501 174.501 174.871 -0.370 19942 232 1 1 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.304 0.768 19942 233 1 1 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.444 -1.046 19942 234 1 1 . 1 1 43 43 VAL H H 43 7.498 7.498 8.173 -0.675 19942 235 1 1 . 1 1 44 44 THR N N 44 116.194 116.194 121.751 -5.557 19942 236 1 1 . 1 1 44 44 THR HA H 44 4.515 4.515 4.739 -0.224 19942 237 1 1 . 1 1 44 44 THR C C 44 175.110 175.110 174.058 1.052 19942 238 1 1 . 1 1 44 44 THR CA C 44 62.468 62.468 62.121 0.347 19942 239 1 1 . 1 1 44 44 THR CB C 44 69.914 69.914 70.194 -0.280 19942 240 1 1 . 1 1 44 44 THR H H 44 9.020 9.020 7.933 1.087 19942 241 1 1 . 1 1 45 45 TRP N N 45 133.716 133.716 128.277 5.439 19942 242 1 1 . 1 1 45 45 TRP HA H 45 5.384 5.384 5.022 0.362 19942 243 1 1 . 1 1 45 45 TRP C C 45 176.565 176.565 176.288 0.277 19942 244 1 1 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.368 0.366 19942 245 1 1 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.780 0.715 19942 246 1 1 . 1 1 45 45 TRP H H 45 9.667 9.667 8.838 0.829 19942 247 1 1 . 1 1 46 46 SER N N 46 117.142 117.142 117.152 -0.010 19942 248 1 1 . 1 1 46 46 SER HA H 46 4.620 4.620 4.847 -0.227 19942 249 1 1 . 1 1 46 46 SER C C 46 171.333 171.333 172.562 -1.229 19942 250 1 1 . 1 1 46 46 SER CA C 46 58.013 58.013 57.529 0.484 19942 251 1 1 . 1 1 46 46 SER CB C 46 65.605 65.605 66.481 -0.876 19942 252 1 1 . 1 1 46 46 SER H H 46 10.001 10.001 8.385 1.616 19942 253 1 1 . 1 1 47 47 SER N N 47 112.791 112.791 116.509 -3.718 19942 254 1 1 . 1 1 47 47 SER HA H 47 5.530 5.530 5.369 0.161 19942 255 1 1 . 1 1 47 47 SER C C 47 176.141 176.141 175.627 0.514 19942 256 1 1 . 1 1 47 47 SER CA C 47 53.591 53.591 55.665 -2.074 19942 257 1 1 . 1 1 47 47 SER CB C 47 66.167 66.167 65.372 0.795 19942 258 1 1 . 1 1 47 47 SER H H 47 8.594 8.594 8.501 0.093 19942 259 1 1 . 1 1 48 48 SER N N 48 122.562 122.562 120.132 2.430 19942 260 1 1 . 1 1 48 48 SER HA H 48 4.289 4.289 4.311 -0.022 19942 261 1 1 . 1 1 48 48 SER C C 48 174.767 174.767 175.657 -0.890 19942 262 1 1 . 1 1 48 48 SER CA C 48 60.419 60.419 60.581 -0.162 19942 263 1 1 . 1 1 48 48 SER CB C 48 62.630 62.630 63.501 -0.871 19942 264 1 1 . 1 1 48 48 SER H H 48 9.685 9.685 8.441 1.244 19942 265 1 1 . 1 1 49 49 ASN N N 49 118.253 118.253 121.268 -3.015 19942 266 1 1 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.832 -0.099 19942 267 1 1 . 1 1 49 49 ASN C C 49 175.845 175.845 174.581 1.264 19942 268 1 1 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.849 0.717 19942 269 1 1 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.496 0.588 19942 270 1 1 . 1 1 49 49 ASN H H 49 8.006 8.006 7.717 0.289 19942 271 1 1 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.497 0.047 19942 272 1 1 . 1 1 50 50 GLN C C 50 175.944 175.944 176.821 -0.877 19942 273 1 1 . 1 1 50 50 GLN CA C 50 57.462 57.462 57.705 -0.243 19942 274 1 1 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.257 -0.344 19942 275 1 1 . 1 1 51 51 SER N N 51 113.229 113.229 113.400 -0.171 19942 276 1 1 . 1 1 51 51 SER HA H 51 4.302 4.302 4.271 0.031 19942 277 1 1 . 1 1 51 51 SER C C 51 173.524 173.524 175.080 -1.556 19942 278 1 1 . 1 1 51 51 SER CA C 51 59.973 59.973 60.979 -1.006 19942 279 1 1 . 1 1 51 51 SER CB C 51 62.832 62.832 62.878 -0.046 19942 280 1 1 . 1 1 51 51 SER H H 51 8.205 8.205 8.389 -0.184 19942 281 1 1 . 1 1 52 52 GLN N N 52 116.510 116.510 116.945 -0.435 19942 282 1 1 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.413 0.145 19942 283 1 1 . 1 1 52 52 GLN C C 52 176.697 176.697 173.785 2.912 19942 284 1 1 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.511 0.605 19942 285 1 1 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.329 0.255 19942 286 1 1 . 1 1 52 52 GLN H H 52 7.277 7.277 8.442 -1.165 19942 287 1 1 . 1 1 53 53 ALA N N 53 119.325 119.325 119.584 -0.259 19942 288 1 1 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.729 0.179 19942 289 1 1 . 1 1 53 53 ALA C C 53 174.225 174.225 175.100 -0.875 19942 290 1 1 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.681 0.697 19942 291 1 1 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.256 -0.161 19942 292 1 1 . 1 1 53 53 ALA H H 53 8.150 8.150 6.976 1.174 19942 293 1 1 . 1 1 54 54 LYS N N 54 120.764 120.764 121.811 -1.047 19942 294 1 1 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.842 0.067 19942 295 1 1 . 1 1 54 54 LYS C C 54 173.892 173.892 174.996 -1.104 19942 296 1 1 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.272 -1.510 19942 297 1 1 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.215 -0.107 19942 298 1 1 . 1 1 54 54 LYS H H 54 8.397 8.397 7.984 0.413 19942 299 1 1 . 1 1 55 55 VAL N N 55 118.409 118.409 124.180 -5.771 19942 300 1 1 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.403 0.530 19942 301 1 1 . 1 1 55 55 VAL C C 55 172.770 172.770 175.714 -2.944 19942 302 1 1 . 1 1 55 55 VAL CA C 55 58.070 58.070 62.008 -3.938 19942 303 1 1 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.856 2.018 19942 304 1 1 . 1 1 55 55 VAL H H 55 8.748 8.748 8.590 0.158 19942 305 1 1 . 1 1 56 56 SER N N 56 119.976 119.976 125.323 -5.347 19942 306 1 1 . 1 1 56 56 SER HA H 56 4.364 4.364 4.734 -0.370 19942 307 1 1 . 1 1 56 56 SER C C 56 174.635 174.635 172.722 1.913 19942 308 1 1 . 1 1 56 56 SER CA C 56 57.399 57.399 57.960 -0.561 19942 309 1 1 . 1 1 56 56 SER CB C 56 63.633 63.633 64.704 -1.071 19942 310 1 1 . 1 1 56 56 SER H H 56 7.851 7.851 8.666 -0.815 19942 311 1 1 . 1 1 57 57 ASN N N 57 124.627 124.627 121.878 2.749 19942 312 1 1 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.832 0.425 19942 313 1 1 . 1 1 57 57 ASN C C 57 174.450 174.450 174.053 0.397 19942 314 1 1 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.457 0.931 19942 315 1 1 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.779 1.751 19942 316 1 1 . 1 1 57 57 ASN H H 57 9.190 9.190 8.342 0.848 19942 317 1 1 . 1 1 58 58 ALA N N 58 127.007 127.007 124.517 2.490 19942 318 1 1 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.560 -0.222 19942 319 1 1 . 1 1 58 58 ALA C C 58 178.628 178.628 178.145 0.483 19942 320 1 1 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.311 0.917 19942 321 1 1 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.248 -1.338 19942 322 1 1 . 1 1 58 58 ALA H H 58 8.121 8.121 8.638 -0.517 19942 323 1 1 . 1 1 59 59 SER N N 59 116.407 116.407 113.759 2.648 19942 324 1 1 . 1 1 59 59 SER HA H 59 4.888 4.888 4.212 0.676 19942 325 1 1 . 1 1 59 59 SER C C 59 176.729 176.729 175.444 1.285 19942 326 1 1 . 1 1 59 59 SER CA C 59 62.500 62.500 61.191 1.309 19942 327 1 1 . 1 1 59 59 SER CB C 59 63.113 63.113 63.133 -0.020 19942 328 1 1 . 1 1 59 59 SER H H 59 8.767 8.767 8.620 0.147 19942 329 1 1 . 1 1 60 60 GLU N N 60 117.093 117.093 118.816 -1.723 19942 330 1 1 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.307 -0.075 19942 331 1 1 . 1 1 60 60 GLU C C 60 177.467 177.467 177.214 0.253 19942 332 1 1 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.208 1.508 19942 333 1 1 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.851 -0.240 19942 334 1 1 . 1 1 60 60 GLU H H 60 9.190 9.190 8.609 0.581 19942 335 1 1 . 1 1 61 61 THR N N 61 107.270 107.270 108.549 -1.279 19942 336 1 1 . 1 1 61 61 THR HA H 61 4.820 4.820 4.513 0.307 19942 337 1 1 . 1 1 61 61 THR C C 61 173.068 173.068 174.926 -1.858 19942 338 1 1 . 1 1 61 61 THR CA C 61 59.191 59.191 61.177 -1.986 19942 339 1 1 . 1 1 61 61 THR CB C 61 69.219 69.219 69.996 -0.777 19942 340 1 1 . 1 1 61 61 THR H H 61 7.369 7.369 7.673 -0.304 19942 341 1 1 . 1 1 62 62 LYS N N 62 122.917 122.917 123.194 -0.277 19942 342 1 1 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.128 -0.442 19942 343 1 1 . 1 1 62 62 LYS C C 62 178.225 178.225 176.766 1.459 19942 344 1 1 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.254 -0.133 19942 345 1 1 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.624 0.666 19942 346 1 1 . 1 1 62 62 LYS H H 62 6.924 6.924 7.660 -0.737 19942 347 1 1 . 1 1 63 63 GLY N N 63 111.784 111.784 109.535 2.249 19942 348 1 1 . 1 1 63 63 GLY C C 63 171.831 171.831 172.273 -0.442 19942 349 1 1 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.464 -0.109 19942 350 1 1 . 1 1 63 63 GLY H H 63 7.966 7.966 8.600 -0.634 19942 351 1 1 . 1 1 64 64 LEU N N 64 120.854 120.854 120.811 0.043 19942 352 1 1 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.330 -0.270 19942 353 1 1 . 1 1 64 64 LEU C C 64 176.666 176.666 174.154 2.512 19942 354 1 1 . 1 1 64 64 LEU CA C 64 55.563 55.563 54.021 1.542 19942 355 1 1 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.441 -1.368 19942 356 1 1 . 1 1 64 64 LEU H H 64 7.785 7.785 7.503 0.282 19942 357 1 1 . 1 1 65 65 VAL N N 65 135.184 135.184 126.478 8.706 19942 358 1 1 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.392 0.244 19942 359 1 1 . 1 1 65 65 VAL C C 65 174.956 174.956 174.580 0.376 19942 360 1 1 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.204 0.119 19942 361 1 1 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.962 -2.966 19942 362 1 1 . 1 1 65 65 VAL H H 65 8.973 8.973 8.097 0.876 19942 363 1 1 . 1 1 66 66 THR N N 66 121.955 121.955 123.055 -1.100 19942 364 1 1 . 1 1 66 66 THR HA H 66 4.774 4.774 4.648 0.126 19942 365 1 1 . 1 1 66 66 THR C C 66 174.266 174.266 173.425 0.841 19942 366 1 1 . 1 1 66 66 THR CA C 66 61.225 61.225 62.115 -0.890 19942 367 1 1 . 1 1 66 66 THR CB C 66 71.190 71.190 70.424 0.766 19942 368 1 1 . 1 1 66 66 THR H H 66 8.947 8.947 8.205 0.742 19942 369 1 1 . 1 1 67 67 GLY N N 67 114.304 114.304 114.130 0.174 19942 370 1 1 . 1 1 67 67 GLY C C 67 172.326 172.326 174.180 -1.854 19942 371 1 1 . 1 1 67 67 GLY CA C 67 46.232 46.232 44.307 1.925 19942 372 1 1 . 1 1 67 67 GLY H H 67 9.201 9.201 8.248 0.953 19942 373 1 1 . 1 1 68 68 ILE N N 68 126.492 126.492 126.395 0.097 19942 374 1 1 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.892 0.231 19942 375 1 1 . 1 1 68 68 ILE C C 68 175.021 175.021 175.899 -0.878 19942 376 1 1 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.596 -1.988 19942 377 1 1 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.566 0.588 19942 378 1 1 . 1 1 68 68 ILE H H 68 8.927 8.927 8.019 0.908 19942 379 1 1 . 1 1 69 69 ALA N N 69 122.378 122.378 120.370 2.008 19942 380 1 1 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.470 -0.075 19942 381 1 1 . 1 1 69 69 ALA C C 69 174.111 174.111 175.310 -1.199 19942 382 1 1 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.491 -0.632 19942 383 1 1 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.162 1.895 19942 384 1 1 . 1 1 69 69 ALA H H 69 8.413 8.413 7.537 0.876 19942 385 1 1 . 1 1 70 70 SER N N 70 110.668 110.668 116.871 -6.203 19942 386 1 1 . 1 1 70 70 SER HA H 70 4.013 4.013 4.506 -0.493 19942 387 1 1 . 1 1 70 70 SER C C 70 174.180 174.180 176.092 -1.912 19942 388 1 1 . 1 1 70 70 SER CA C 70 58.620 58.620 58.123 0.497 19942 389 1 1 . 1 1 70 70 SER CB C 70 64.114 64.114 64.824 -0.710 19942 390 1 1 . 1 1 70 70 SER H H 70 8.109 8.109 8.315 -0.206 19942 391 1 1 . 1 1 71 71 GLY N N 71 108.506 108.506 111.937 -3.431 19942 392 1 1 . 1 1 71 71 GLY C C 71 170.868 170.868 173.298 -2.430 19942 393 1 1 . 1 1 71 71 GLY CA C 71 44.343 44.343 46.278 -1.935 19942 394 1 1 . 1 1 71 71 GLY H H 71 8.055 8.055 8.485 -0.430 19942 395 1 1 . 1 1 72 72 ASN N N 72 116.234 116.234 119.149 -2.915 19942 396 1 1 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.151 -0.259 19942 397 1 1 . 1 1 72 72 ASN C C 72 171.109 171.109 172.757 -1.648 19942 398 1 1 . 1 1 72 72 ASN CA C 72 51.409 51.409 52.008 -0.599 19942 399 1 1 . 1 1 72 72 ASN CB C 72 39.972 39.972 41.108 -1.136 19942 400 1 1 . 1 1 72 72 ASN H H 72 8.238 8.238 7.945 0.293 19942 401 1 1 . 1 1 73 73 PRO C C 73 173.522 173.522 175.688 -2.166 19942 402 1 1 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.554 0.767 19942 403 1 1 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.002 -0.949 19942 404 1 1 . 1 1 74 74 THR N N 74 115.192 115.192 118.377 -3.185 19942 405 1 1 . 1 1 74 74 THR HA H 74 4.399 4.399 4.667 -0.268 19942 406 1 1 . 1 1 74 74 THR C C 74 173.467 173.467 173.518 -0.051 19942 407 1 1 . 1 1 74 74 THR CA C 74 61.852 61.852 62.127 -0.275 19942 408 1 1 . 1 1 74 74 THR CB C 74 70.609 70.609 70.833 -0.224 19942 409 1 1 . 1 1 74 74 THR H H 74 8.775 8.775 8.402 0.373 19942 410 1 1 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.940 -0.057 19942 411 1 1 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.670 3.117 19942 412 1 1 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.161 -1.294 19942 413 1 1 . 1 1 76 76 ILE N N 76 126.694 126.694 127.498 -0.804 19942 414 1 1 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.332 0.343 19942 415 1 1 . 1 1 76 76 ILE C C 76 173.870 173.870 174.312 -0.442 19942 416 1 1 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.063 0.480 19942 417 1 1 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.114 0.806 19942 418 1 1 . 1 1 76 76 ILE H H 76 8.982 8.982 8.672 0.310 19942 419 1 1 . 1 1 77 77 ALA N N 77 126.455 126.455 130.617 -4.162 19942 420 1 1 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.838 -0.339 19942 421 1 1 . 1 1 77 77 ALA C C 77 175.857 175.857 175.931 -0.074 19942 422 1 1 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.781 0.012 19942 423 1 1 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.107 0.565 19942 424 1 1 . 1 1 77 77 ALA H H 77 8.431 8.431 8.642 -0.211 19942 425 1 1 . 1 1 78 78 THR N N 78 116.767 116.767 121.481 -4.714 19942 426 1 1 . 1 1 78 78 THR HA H 78 4.849 4.849 4.536 0.313 19942 427 1 1 . 1 1 78 78 THR C C 78 173.211 173.211 172.466 0.745 19942 428 1 1 . 1 1 78 78 THR CA C 78 61.343 61.343 62.134 -0.791 19942 429 1 1 . 1 1 78 78 THR CB C 78 71.627 71.627 70.868 0.759 19942 430 1 1 . 1 1 78 78 THR H H 78 8.135 8.135 8.055 0.080 19942 431 1 1 . 1 1 79 79 TYR N N 79 127.950 127.950 129.237 -1.287 19942 432 1 1 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.726 -0.097 19942 433 1 1 . 1 1 79 79 TYR C C 79 174.921 174.921 175.188 -0.267 19942 434 1 1 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.361 1.145 19942 435 1 1 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.281 0.291 19942 436 1 1 . 1 1 79 79 TYR H H 79 9.136 9.136 8.962 0.174 19942 437 1 1 . 1 1 80 80 GLY N N 80 118.393 118.393 116.240 2.153 19942 438 1 1 . 1 1 80 80 GLY C C 80 174.902 174.902 174.236 0.666 19942 439 1 1 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.220 0.649 19942 440 1 1 . 1 1 80 80 GLY H H 80 8.786 8.786 8.095 0.691 19942 441 1 1 . 1 1 81 81 SER N N 81 113.872 113.872 118.599 -4.727 19942 442 1 1 . 1 1 81 81 SER HA H 81 4.348 4.348 4.513 -0.165 19942 443 1 1 . 1 1 81 81 SER C C 81 173.279 173.279 173.803 -0.524 19942 444 1 1 . 1 1 81 81 SER CA C 81 58.658 58.658 58.886 -0.228 19942 445 1 1 . 1 1 81 81 SER CB C 81 63.490 63.490 64.002 -0.512 19942 446 1 1 . 1 1 81 81 SER H H 81 7.878 7.878 8.248 -0.370 19942 447 1 1 . 1 1 82 82 VAL N N 82 124.320 124.320 123.821 0.499 19942 448 1 1 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.351 -0.102 19942 449 1 1 . 1 1 82 82 VAL C C 82 173.455 173.455 173.873 -0.418 19942 450 1 1 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.786 -0.134 19942 451 1 1 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.764 -1.298 19942 452 1 1 . 1 1 82 82 VAL H H 82 7.845 7.845 7.911 -0.066 19942 453 1 1 . 1 1 83 83 SER N N 83 119.056 119.056 120.562 -1.506 19942 454 1 1 . 1 1 83 83 SER HA H 83 5.507 5.507 5.046 0.461 19942 455 1 1 . 1 1 83 83 SER C C 83 173.841 173.841 173.471 0.370 19942 456 1 1 . 1 1 83 83 SER CA C 83 56.624 56.624 56.818 -0.194 19942 457 1 1 . 1 1 83 83 SER CB C 83 66.733 66.733 66.714 0.019 19942 458 1 1 . 1 1 83 83 SER H H 83 8.549 8.549 8.391 0.158 19942 459 1 1 . 1 1 84 84 GLY N N 84 111.431 111.431 109.165 2.266 19942 460 1 1 . 1 1 84 84 GLY C C 84 171.253 171.253 172.257 -1.004 19942 461 1 1 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.344 -0.061 19942 462 1 1 . 1 1 84 84 GLY H H 84 8.957 8.957 8.675 0.282 19942 463 1 1 . 1 1 85 85 ASN N N 85 114.909 114.909 120.243 -5.334 19942 464 1 1 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.041 0.858 19942 465 1 1 . 1 1 85 85 ASN C C 85 174.553 174.553 174.432 0.121 19942 466 1 1 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.855 -0.061 19942 467 1 1 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.062 2.084 19942 468 1 1 . 1 1 85 85 ASN H H 85 8.752 8.752 8.571 0.181 19942 469 1 1 . 1 1 86 86 THR N N 86 114.501 114.501 117.418 -2.917 19942 470 1 1 . 1 1 86 86 THR HA H 86 4.677 4.677 4.622 0.055 19942 471 1 1 . 1 1 86 86 THR C C 86 170.890 170.890 172.632 -1.742 19942 472 1 1 . 1 1 86 86 THR CA C 86 61.715 61.715 60.634 1.081 19942 473 1 1 . 1 1 86 86 THR CB C 86 70.636 70.636 70.624 0.012 19942 474 1 1 . 1 1 86 86 THR H H 86 8.922 8.922 8.264 0.658 19942 475 1 1 . 1 1 87 87 ILE N N 87 125.857 125.857 124.454 1.403 19942 476 1 1 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.176 0.366 19942 477 1 1 . 1 1 87 87 ILE C C 87 175.495 175.495 174.944 0.551 19942 478 1 1 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.417 0.826 19942 479 1 1 . 1 1 87 87 ILE CB C 87 39.423 39.423 39.194 0.229 19942 480 1 1 . 1 1 87 87 ILE H H 87 8.020 8.020 8.250 -0.230 19942 481 1 1 . 1 1 88 88 LEU N N 88 129.304 129.304 130.158 -0.854 19942 482 1 1 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.667 0.016 19942 483 1 1 . 1 1 88 88 LEU C C 88 174.979 174.979 176.007 -1.028 19942 484 1 1 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.707 0.031 19942 485 1 1 . 1 1 88 88 LEU CB C 88 45.636 45.636 43.855 1.781 19942 486 1 1 . 1 1 88 88 LEU H H 88 8.797 8.797 8.259 0.538 19942 487 1 1 . 1 1 89 89 THR N N 89 117.751 117.751 117.977 -0.226 19942 488 1 1 . 1 1 89 89 THR HA H 89 4.749 4.749 4.475 0.274 19942 489 1 1 . 1 1 89 89 THR C C 89 173.269 173.269 173.530 -0.261 19942 490 1 1 . 1 1 89 89 THR CA C 89 62.794 62.794 61.670 1.123 19942 491 1 1 . 1 1 89 89 THR CB C 89 70.202 70.202 70.050 0.152 19942 492 1 1 . 1 1 89 89 THR H H 89 7.882 7.882 8.482 -0.600 19942 493 1 1 . 1 1 90 90 VAL N N 90 127.485 127.485 124.467 3.018 19942 494 1 1 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.053 0.784 19942 495 1 1 . 1 1 90 90 VAL C C 90 176.460 176.460 174.741 1.719 19942 496 1 1 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.571 -2.160 19942 497 1 1 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.903 0.756 19942 498 1 1 . 1 1 90 90 VAL H H 90 9.139 9.139 8.200 0.939 19942 499 1 1 . 1 1 91 91 ASN N N 91 126.674 126.674 126.562 0.112 19942 500 1 1 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.928 -0.089 19942 501 1 1 . 1 1 91 91 ASN C C 91 174.311 174.311 173.451 0.860 19942 502 1 1 . 1 1 91 91 ASN CA C 91 52.779 52.779 52.232 0.547 19942 503 1 1 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.935 -1.158 19942 504 1 1 . 1 1 91 91 ASN H H 91 8.992 8.992 8.248 0.744 19942 505 1 1 . 1 1 92 92 LYS N N 92 122.622 122.622 123.620 -0.998 19942 506 1 1 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.785 -0.367 19942 507 1 1 . 1 1 92 92 LYS C C 92 176.757 176.757 177.624 -0.867 19942 508 1 1 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.538 0.932 19942 509 1 1 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.099 0.203 19942 510 1 1 . 1 1 92 92 LYS H H 92 8.556 8.556 8.269 0.287 19942 511 1 1 . 1 1 93 93 THR N N 93 119.358 119.358 112.735 6.623 19942 512 1 1 . 1 1 93 93 THR HA H 93 4.315 4.315 4.141 0.174 19942 513 1 1 . 1 1 93 93 THR C C 93 174.018 174.018 174.584 -0.566 19942 514 1 1 . 1 1 93 93 THR CA C 93 62.060 62.060 63.659 -1.599 19942 515 1 1 . 1 1 93 93 THR CB C 93 69.715 69.715 69.210 0.505 19942 516 1 1 . 1 1 93 93 THR H H 93 8.439 8.439 8.519 -0.080 19942 517 1 1 . 1 1 94 94 ASP N N 94 124.142 124.142 119.318 4.824 19942 518 1 1 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.706 -0.041 19942 519 1 1 . 1 1 94 94 ASP C C 94 175.464 175.464 175.240 0.224 19942 520 1 1 . 1 1 94 94 ASP CA C 94 54.515 54.515 52.843 1.672 19942 521 1 1 . 1 1 94 94 ASP CB C 94 41.117 41.117 41.891 -0.774 19942 522 1 1 . 1 1 94 94 ASP H H 94 8.583 8.583 7.633 0.950 19942 523 1 2 . 1 1 3 3 ALA N N 3 123.810 123.810 119.155 4.655 19942 524 1 2 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.026 0.183 19942 525 1 2 . 1 1 3 3 ALA C C 3 177.476 177.476 176.900 0.576 19942 526 1 2 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.870 -0.420 19942 527 1 2 . 1 1 3 3 ALA CB C 3 19.517 19.517 18.629 0.888 19942 528 1 2 . 1 1 3 3 ALA H H 3 8.387 8.387 7.859 0.528 19942 529 1 2 . 1 1 4 4 THR N N 4 113.060 113.060 110.893 2.167 19942 530 1 2 . 1 1 4 4 THR HA H 4 4.621 4.621 4.602 0.019 19942 531 1 2 . 1 1 4 4 THR C C 4 174.426 174.426 173.737 0.689 19942 532 1 2 . 1 1 4 4 THR CA C 4 60.020 60.020 60.435 -0.415 19942 533 1 2 . 1 1 4 4 THR CB C 4 71.041 71.041 71.486 -0.445 19942 534 1 2 . 1 1 4 4 THR H H 4 8.593 8.593 8.398 0.195 19942 535 1 2 . 1 1 5 5 LEU N N 5 125.889 125.889 122.673 3.216 19942 536 1 2 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.291 -0.855 19942 537 1 2 . 1 1 5 5 LEU C C 5 175.432 175.432 175.803 -0.371 19942 538 1 2 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.132 1.059 19942 539 1 2 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.563 -0.304 19942 540 1 2 . 1 1 5 5 LEU H H 5 8.888 8.888 8.536 0.352 19942 541 1 2 . 1 1 6 6 SER N N 6 123.564 123.564 122.706 0.858 19942 542 1 2 . 1 1 6 6 SER HA H 6 4.574 4.574 4.426 0.148 19942 543 1 2 . 1 1 6 6 SER C C 6 174.217 174.217 174.705 -0.488 19942 544 1 2 . 1 1 6 6 SER CA C 6 59.688 59.688 59.886 -0.198 19942 545 1 2 . 1 1 6 6 SER CB C 6 64.300 64.300 64.345 -0.045 19942 546 1 2 . 1 1 6 6 SER H H 6 9.155 9.155 8.730 0.425 19942 547 1 2 . 1 1 7 7 SER N N 7 112.212 112.212 111.776 0.436 19942 548 1 2 . 1 1 7 7 SER HA H 7 4.499 4.499 4.717 -0.218 19942 549 1 2 . 1 1 7 7 SER C C 7 171.592 171.592 172.109 -0.517 19942 550 1 2 . 1 1 7 7 SER CA C 7 57.676 57.676 57.490 0.186 19942 551 1 2 . 1 1 7 7 SER CB C 7 64.795 64.795 65.647 -0.852 19942 552 1 2 . 1 1 7 7 SER H H 7 7.913 7.913 7.763 0.150 19942 553 1 2 . 1 1 8 8 ILE N N 8 120.132 120.132 122.131 -1.999 19942 554 1 2 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.557 0.104 19942 555 1 2 . 1 1 8 8 ILE C C 8 174.094 174.094 174.668 -0.574 19942 556 1 2 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.071 0.246 19942 557 1 2 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.870 2.056 19942 558 1 2 . 1 1 8 8 ILE H H 8 8.628 8.628 8.270 0.358 19942 559 1 2 . 1 1 9 9 SER N N 9 120.939 120.939 124.081 -3.142 19942 560 1 2 . 1 1 9 9 SER HA H 9 4.907 4.907 4.863 0.044 19942 561 1 2 . 1 1 9 9 SER C C 9 173.176 173.176 173.533 -0.357 19942 562 1 2 . 1 1 9 9 SER CA C 9 56.291 56.291 56.611 -0.320 19942 563 1 2 . 1 1 9 9 SER CB C 9 65.325 65.325 66.358 -1.033 19942 564 1 2 . 1 1 9 9 SER H H 9 8.761 8.761 9.116 -0.355 19942 565 1 2 . 1 1 10 10 ILE N N 10 126.047 126.047 122.398 3.649 19942 566 1 2 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.556 0.920 19942 567 1 2 . 1 1 10 10 ILE C C 10 175.259 175.259 176.371 -1.112 19942 568 1 2 . 1 1 10 10 ILE CA C 10 59.092 59.092 59.225 -0.133 19942 569 1 2 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.109 1.733 19942 570 1 2 . 1 1 10 10 ILE H H 10 8.852 8.852 8.514 0.338 19942 571 1 2 . 1 1 11 11 SER N N 11 122.938 122.938 122.316 0.622 19942 572 1 2 . 1 1 11 11 SER HA H 11 4.704 4.704 4.923 -0.219 19942 573 1 2 . 1 1 11 11 SER C C 11 170.288 170.288 172.980 -2.692 19942 574 1 2 . 1 1 11 11 SER CA C 11 55.401 55.401 56.490 -1.089 19942 575 1 2 . 1 1 11 11 SER CB C 11 65.248 65.248 64.054 1.194 19942 576 1 2 . 1 1 11 11 SER H H 11 9.108 9.108 8.900 0.208 19942 577 1 2 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.306 0.391 19942 578 1 2 . 1 1 12 12 PRO C C 12 175.467 175.467 175.929 -0.462 19942 579 1 2 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.977 -2.521 19942 580 1 2 . 1 1 12 12 PRO CB C 12 34.906 34.906 31.903 3.003 19942 581 1 2 . 1 1 13 13 ILE N N 13 118.003 118.003 118.787 -0.784 19942 582 1 2 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.109 0.242 19942 583 1 2 . 1 1 13 13 ILE C C 13 176.535 176.535 177.254 -0.719 19942 584 1 2 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.152 0.940 19942 585 1 2 . 1 1 13 13 ILE CB C 13 39.233 39.233 37.811 1.422 19942 586 1 2 . 1 1 13 13 ILE H H 13 8.233 8.233 8.524 -0.291 19942 587 1 2 . 1 1 14 14 ASN N N 14 122.727 122.727 120.798 1.929 19942 588 1 2 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.497 0.279 19942 589 1 2 . 1 1 14 14 ASN C C 14 175.286 175.286 175.699 -0.413 19942 590 1 2 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.903 -1.317 19942 591 1 2 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.337 -0.841 19942 592 1 2 . 1 1 14 14 ASN H H 14 8.501 8.501 8.611 -0.110 19942 593 1 2 . 1 1 15 15 THR N N 15 114.899 114.899 113.625 1.274 19942 594 1 2 . 1 1 15 15 THR HA H 15 4.587 4.587 4.573 0.014 19942 595 1 2 . 1 1 15 15 THR C C 15 173.339 173.339 172.508 0.831 19942 596 1 2 . 1 1 15 15 THR CA C 15 61.059 61.059 62.035 -0.976 19942 597 1 2 . 1 1 15 15 THR CB C 15 69.683 69.683 69.028 0.655 19942 598 1 2 . 1 1 15 15 THR H H 15 8.878 8.878 7.956 0.922 19942 599 1 2 . 1 1 16 16 ASN N N 16 119.994 119.994 125.495 -5.501 19942 600 1 2 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.394 0.420 19942 601 1 2 . 1 1 16 16 ASN C C 16 173.995 173.995 173.372 0.623 19942 602 1 2 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.517 -0.131 19942 603 1 2 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.823 -1.444 19942 604 1 2 . 1 1 16 16 ASN H H 16 8.293 8.293 8.166 0.127 19942 605 1 2 . 1 1 17 17 ILE N N 17 118.356 118.356 121.475 -3.119 19942 606 1 2 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.441 0.282 19942 607 1 2 . 1 1 17 17 ILE C C 17 173.556 173.556 174.660 -1.104 19942 608 1 2 . 1 1 17 17 ILE CA C 17 59.491 59.491 58.158 1.333 19942 609 1 2 . 1 1 17 17 ILE CB C 17 42.437 42.437 39.691 2.746 19942 610 1 2 . 1 1 17 17 ILE H H 17 8.962 8.962 8.184 0.778 19942 611 1 2 . 1 1 18 18 ASN N N 18 122.798 122.798 123.794 -0.996 19942 612 1 2 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.850 0.689 19942 613 1 2 . 1 1 18 18 ASN C C 18 176.607 176.607 177.394 -0.787 19942 614 1 2 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.745 -1.453 19942 615 1 2 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.203 0.140 19942 616 1 2 . 1 1 18 18 ASN H H 18 8.404 8.404 8.598 -0.194 19942 617 1 2 . 1 1 19 19 THR C C 19 175.737 175.737 174.560 1.177 19942 618 1 2 . 1 1 19 19 THR CA C 19 62.695 62.695 65.297 -2.602 19942 619 1 2 . 1 1 19 19 THR CB C 19 68.758 68.758 68.842 -0.084 19942 620 1 2 . 1 1 20 20 THR N N 20 113.750 113.750 112.338 1.412 19942 621 1 2 . 1 1 20 20 THR HA H 20 4.281 4.281 4.770 -0.489 19942 622 1 2 . 1 1 20 20 THR C C 20 173.630 173.630 173.725 -0.095 19942 623 1 2 . 1 1 20 20 THR CA C 20 64.559 64.559 60.375 4.184 19942 624 1 2 . 1 1 20 20 THR CB C 20 69.925 69.925 69.623 0.302 19942 625 1 2 . 1 1 20 20 THR H H 20 8.400 8.400 7.846 0.554 19942 626 1 2 . 1 1 21 21 VAL N N 21 124.237 124.237 121.105 3.132 19942 627 1 2 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.379 -0.131 19942 628 1 2 . 1 1 21 21 VAL C C 21 175.464 175.464 174.861 0.603 19942 629 1 2 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.413 1.860 19942 630 1 2 . 1 1 21 21 VAL H H 21 7.953 7.953 7.675 0.278 19942 631 1 2 . 1 1 22 22 SER HA H 22 5.542 5.542 4.613 0.929 19942 632 1 2 . 1 1 22 22 SER C C 22 173.145 173.145 173.656 -0.511 19942 633 1 2 . 1 1 22 22 SER CA C 22 58.153 58.153 58.617 -0.465 19942 634 1 2 . 1 1 22 22 SER CB C 22 64.768 64.768 63.867 0.901 19942 635 1 2 . 1 1 23 23 LYS N N 23 124.177 124.177 125.336 -1.159 19942 636 1 2 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.452 0.058 19942 637 1 2 . 1 1 23 23 LYS C C 23 173.847 173.847 173.923 -0.076 19942 638 1 2 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.369 -0.418 19942 639 1 2 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.195 1.721 19942 640 1 2 . 1 1 23 23 LYS H H 23 9.372 9.372 8.295 1.077 19942 641 1 2 . 1 1 24 24 GLN N N 24 128.777 128.777 125.877 2.900 19942 642 1 2 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.256 -0.572 19942 643 1 2 . 1 1 24 24 GLN C C 24 173.229 173.229 174.076 -0.847 19942 644 1 2 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.026 2.102 19942 645 1 2 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.174 -1.655 19942 646 1 2 . 1 1 24 24 GLN H H 24 8.742 8.742 8.287 0.455 19942 647 1 2 . 1 1 25 25 PHE N N 25 128.481 128.481 118.867 9.614 19942 648 1 2 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.531 0.474 19942 649 1 2 . 1 1 25 25 PHE C C 25 174.268 174.268 173.419 0.849 19942 650 1 2 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.526 1.832 19942 651 1 2 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.374 0.459 19942 652 1 2 . 1 1 25 25 PHE H H 25 7.728 7.728 6.351 1.377 19942 653 1 2 . 1 1 26 26 PHE N N 26 114.641 114.641 118.290 -3.649 19942 654 1 2 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.142 0.385 19942 655 1 2 . 1 1 26 26 PHE C C 26 175.679 175.679 175.415 0.264 19942 656 1 2 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.724 0.427 19942 657 1 2 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.386 0.351 19942 658 1 2 . 1 1 26 26 PHE H H 26 9.354 9.354 7.809 1.545 19942 659 1 2 . 1 1 27 27 ALA N N 27 123.352 123.352 123.658 -0.306 19942 660 1 2 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.052 0.153 19942 661 1 2 . 1 1 27 27 ALA C C 27 174.966 174.966 175.552 -0.586 19942 662 1 2 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.821 -0.875 19942 663 1 2 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.900 -0.010 19942 664 1 2 . 1 1 27 27 ALA H H 27 8.935 8.935 9.711 -0.776 19942 665 1 2 . 1 1 28 28 VAL N N 28 122.875 122.875 123.603 -0.728 19942 666 1 2 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.602 0.065 19942 667 1 2 . 1 1 28 28 VAL C C 28 177.371 177.371 174.885 2.486 19942 668 1 2 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.437 0.777 19942 669 1 2 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.888 -0.593 19942 670 1 2 . 1 1 28 28 VAL H H 28 8.933 8.933 8.698 0.235 19942 671 1 2 . 1 1 29 29 GLY N N 29 118.628 118.628 113.519 5.109 19942 672 1 2 . 1 1 29 29 GLY C C 29 171.637 171.637 172.002 -0.365 19942 673 1 2 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.809 1.248 19942 674 1 2 . 1 1 29 29 GLY H H 29 9.852 9.852 8.281 1.571 19942 675 1 2 . 1 1 30 30 THR N N 30 119.749 119.749 119.581 0.168 19942 676 1 2 . 1 1 30 30 THR HA H 30 5.033 5.033 5.233 -0.200 19942 677 1 2 . 1 1 30 30 THR C C 30 173.854 173.854 173.728 0.126 19942 678 1 2 . 1 1 30 30 THR CA C 30 62.384 62.384 61.345 1.039 19942 679 1 2 . 1 1 30 30 THR CB C 30 69.631 69.631 71.255 -1.624 19942 680 1 2 . 1 1 30 30 THR H H 30 8.632 8.632 8.373 0.259 19942 681 1 2 . 1 1 31 31 TYR N N 31 126.778 126.778 126.039 0.739 19942 682 1 2 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.981 0.038 19942 683 1 2 . 1 1 31 31 TYR C C 31 179.438 179.438 178.149 1.289 19942 684 1 2 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.033 -0.021 19942 685 1 2 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.632 1.238 19942 686 1 2 . 1 1 31 31 TYR H H 31 9.411 9.411 9.070 0.341 19942 687 1 2 . 1 1 32 32 SER N N 32 118.249 118.249 117.801 0.448 19942 688 1 2 . 1 1 32 32 SER HA H 32 4.112 4.112 4.266 -0.154 19942 689 1 2 . 1 1 32 32 SER C C 32 174.175 174.175 175.272 -1.097 19942 690 1 2 . 1 1 32 32 SER CA C 32 61.407 61.407 60.936 0.471 19942 691 1 2 . 1 1 32 32 SER CB C 32 62.779 62.779 62.955 -0.176 19942 692 1 2 . 1 1 32 32 SER H H 32 9.767 9.767 8.757 1.010 19942 693 1 2 . 1 1 33 33 ASP N N 33 119.614 119.614 120.275 -0.661 19942 694 1 2 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.688 0.046 19942 695 1 2 . 1 1 33 33 ASP C C 33 177.097 177.097 177.180 -0.083 19942 696 1 2 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.227 -1.551 19942 697 1 2 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.045 0.476 19942 698 1 2 . 1 1 33 33 ASP H H 33 7.702 7.702 8.006 -0.304 19942 699 1 2 . 1 1 34 34 GLY N N 34 108.749 108.749 107.560 1.189 19942 700 1 2 . 1 1 34 34 GLY C C 34 174.828 174.828 174.523 0.305 19942 701 1 2 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.609 -0.316 19942 702 1 2 . 1 1 34 34 GLY H H 34 8.420 8.420 8.444 -0.024 19942 703 1 2 . 1 1 35 35 THR N N 35 113.544 113.544 115.807 -2.263 19942 704 1 2 . 1 1 35 35 THR HA H 35 4.297 4.297 4.424 -0.127 19942 705 1 2 . 1 1 35 35 THR C C 35 173.074 173.074 173.433 -0.359 19942 706 1 2 . 1 1 35 35 THR CA C 35 62.762 62.762 62.180 0.582 19942 707 1 2 . 1 1 35 35 THR CB C 35 71.079 71.079 70.178 0.901 19942 708 1 2 . 1 1 35 35 THR H H 35 7.863 7.863 7.724 0.139 19942 709 1 2 . 1 1 36 36 LYS N N 36 118.248 118.248 121.570 -3.322 19942 710 1 2 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.387 0.540 19942 711 1 2 . 1 1 36 36 LYS C C 36 176.847 176.847 175.304 1.543 19942 712 1 2 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.134 -0.603 19942 713 1 2 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.171 0.752 19942 714 1 2 . 1 1 36 36 LYS H H 36 8.374 8.374 8.438 -0.064 19942 715 1 2 . 1 1 37 37 ALA N N 37 121.621 121.621 124.147 -2.526 19942 716 1 2 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.605 0.063 19942 717 1 2 . 1 1 37 37 ALA C C 37 175.556 175.556 174.751 0.805 19942 718 1 2 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.639 -0.262 19942 719 1 2 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.851 1.686 19942 720 1 2 . 1 1 37 37 ALA H H 37 8.892 8.892 8.450 0.442 19942 721 1 2 . 1 1 38 38 ASP N N 38 121.602 121.602 121.226 0.376 19942 722 1 2 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.871 -0.011 19942 723 1 2 . 1 1 38 38 ASP C C 38 176.487 176.487 176.026 0.461 19942 724 1 2 . 1 1 38 38 ASP CA C 38 55.234 55.234 53.848 1.386 19942 725 1 2 . 1 1 38 38 ASP CB C 38 40.775 40.775 40.692 0.083 19942 726 1 2 . 1 1 38 38 ASP H H 38 8.983 8.983 8.453 0.530 19942 727 1 2 . 1 1 39 39 LEU N N 39 128.342 128.342 122.878 5.464 19942 728 1 2 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.637 0.224 19942 729 1 2 . 1 1 39 39 LEU C C 39 177.565 177.565 177.488 0.077 19942 730 1 2 . 1 1 39 39 LEU CA C 39 53.590 53.590 53.968 -0.378 19942 731 1 2 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.456 2.477 19942 732 1 2 . 1 1 39 39 LEU H H 39 9.218 9.218 8.241 0.977 19942 733 1 2 . 1 1 40 40 THR N N 40 122.567 122.567 117.186 5.381 19942 734 1 2 . 1 1 40 40 THR HA H 40 4.526 4.526 4.375 0.151 19942 735 1 2 . 1 1 40 40 THR C C 40 174.562 174.562 176.336 -1.774 19942 736 1 2 . 1 1 40 40 THR CA C 40 69.870 69.870 68.157 1.713 19942 737 1 2 . 1 1 40 40 THR CB C 40 69.268 69.268 68.849 0.419 19942 738 1 2 . 1 1 40 40 THR H H 40 8.983 8.983 8.381 0.602 19942 739 1 2 . 1 1 41 41 SER N N 41 109.895 109.895 112.314 -2.419 19942 740 1 2 . 1 1 41 41 SER HA H 41 4.465 4.465 4.541 -0.076 19942 741 1 2 . 1 1 41 41 SER C C 41 174.686 174.686 174.990 -0.304 19942 742 1 2 . 1 1 41 41 SER CA C 41 59.960 59.960 59.702 0.258 19942 743 1 2 . 1 1 41 41 SER CB C 41 63.643 63.643 63.339 0.304 19942 744 1 2 . 1 1 41 41 SER H H 41 8.749 8.749 8.748 0.001 19942 745 1 2 . 1 1 42 42 SER N N 42 117.037 117.037 116.202 0.835 19942 746 1 2 . 1 1 42 42 SER HA H 42 4.706 4.706 4.710 -0.004 19942 747 1 2 . 1 1 42 42 SER C C 42 175.240 175.240 175.092 0.148 19942 748 1 2 . 1 1 42 42 SER CA C 42 59.742 59.742 59.292 0.450 19942 749 1 2 . 1 1 42 42 SER CB C 42 64.724 64.724 64.857 -0.133 19942 750 1 2 . 1 1 42 42 SER H H 42 8.056 8.056 7.868 0.188 19942 751 1 2 . 1 1 43 43 VAL N N 43 113.914 113.914 120.113 -6.199 19942 752 1 2 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.872 -0.560 19942 753 1 2 . 1 1 43 43 VAL C C 43 174.501 174.501 175.722 -1.221 19942 754 1 2 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.013 1.059 19942 755 1 2 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.231 0.167 19942 756 1 2 . 1 1 43 43 VAL H H 43 7.498 7.498 8.138 -0.640 19942 757 1 2 . 1 1 44 44 THR N N 44 116.194 116.194 121.333 -5.139 19942 758 1 2 . 1 1 44 44 THR HA H 44 4.515 4.515 4.748 -0.233 19942 759 1 2 . 1 1 44 44 THR C C 44 175.110 175.110 173.827 1.283 19942 760 1 2 . 1 1 44 44 THR CA C 44 62.468 62.468 62.170 0.298 19942 761 1 2 . 1 1 44 44 THR CB C 44 69.914 69.914 70.311 -0.397 19942 762 1 2 . 1 1 44 44 THR H H 44 9.020 9.020 8.404 0.616 19942 763 1 2 . 1 1 45 45 TRP N N 45 133.716 133.716 128.047 5.669 19942 764 1 2 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.932 0.452 19942 765 1 2 . 1 1 45 45 TRP C C 45 176.565 176.565 176.270 0.295 19942 766 1 2 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.577 0.157 19942 767 1 2 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.754 0.741 19942 768 1 2 . 1 1 45 45 TRP H H 45 9.667 9.667 8.886 0.781 19942 769 1 2 . 1 1 46 46 SER N N 46 117.142 117.142 118.746 -1.604 19942 770 1 2 . 1 1 46 46 SER HA H 46 4.620 4.620 4.825 -0.205 19942 771 1 2 . 1 1 46 46 SER C C 46 171.333 171.333 172.628 -1.295 19942 772 1 2 . 1 1 46 46 SER CA C 46 58.013 58.013 57.776 0.237 19942 773 1 2 . 1 1 46 46 SER CB C 46 65.605 65.605 65.575 0.030 19942 774 1 2 . 1 1 46 46 SER H H 46 10.001 10.001 8.400 1.601 19942 775 1 2 . 1 1 47 47 SER N N 47 112.791 112.791 117.703 -4.912 19942 776 1 2 . 1 1 47 47 SER HA H 47 5.530 5.530 5.272 0.258 19942 777 1 2 . 1 1 47 47 SER C C 47 176.141 176.141 175.490 0.651 19942 778 1 2 . 1 1 47 47 SER CA C 47 53.591 53.591 55.876 -2.285 19942 779 1 2 . 1 1 47 47 SER CB C 47 66.167 66.167 65.289 0.878 19942 780 1 2 . 1 1 47 47 SER H H 47 8.594 8.594 8.464 0.130 19942 781 1 2 . 1 1 48 48 SER N N 48 122.562 122.562 121.345 1.217 19942 782 1 2 . 1 1 48 48 SER HA H 48 4.289 4.289 4.373 -0.084 19942 783 1 2 . 1 1 48 48 SER C C 48 174.767 174.767 175.635 -0.868 19942 784 1 2 . 1 1 48 48 SER CA C 48 60.419 60.419 60.064 0.355 19942 785 1 2 . 1 1 48 48 SER CB C 48 62.630 62.630 63.494 -0.864 19942 786 1 2 . 1 1 48 48 SER H H 48 9.685 9.685 8.464 1.221 19942 787 1 2 . 1 1 49 49 ASN N N 49 118.253 118.253 121.993 -3.740 19942 788 1 2 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.816 -0.084 19942 789 1 2 . 1 1 49 49 ASN C C 49 175.845 175.845 174.666 1.179 19942 790 1 2 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.942 0.624 19942 791 1 2 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.091 0.993 19942 792 1 2 . 1 1 49 49 ASN H H 49 8.006 8.006 7.816 0.190 19942 793 1 2 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.286 0.258 19942 794 1 2 . 1 1 50 50 GLN C C 50 175.944 175.944 176.926 -0.982 19942 795 1 2 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.782 -1.320 19942 796 1 2 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.148 -0.235 19942 797 1 2 . 1 1 51 51 SER N N 51 113.229 113.229 114.317 -1.088 19942 798 1 2 . 1 1 51 51 SER HA H 51 4.302 4.302 4.260 0.042 19942 799 1 2 . 1 1 51 51 SER C C 51 173.524 173.524 176.096 -2.572 19942 800 1 2 . 1 1 51 51 SER CA C 51 59.973 59.973 61.083 -1.110 19942 801 1 2 . 1 1 51 51 SER CB C 51 62.832 62.832 63.297 -0.465 19942 802 1 2 . 1 1 51 51 SER H H 51 8.205 8.205 8.507 -0.302 19942 803 1 2 . 1 1 52 52 GLN N N 52 116.510 116.510 117.416 -0.906 19942 804 1 2 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.440 0.118 19942 805 1 2 . 1 1 52 52 GLN C C 52 176.697 176.697 173.878 2.819 19942 806 1 2 . 1 1 52 52 GLN CA C 52 56.116 56.116 54.815 1.301 19942 807 1 2 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.584 -0.000 19942 808 1 2 . 1 1 52 52 GLN H H 52 7.277 7.277 8.294 -1.017 19942 809 1 2 . 1 1 53 53 ALA N N 53 119.325 119.325 119.857 -0.532 19942 810 1 2 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.702 0.206 19942 811 1 2 . 1 1 53 53 ALA C C 53 174.225 174.225 175.135 -0.910 19942 812 1 2 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.572 0.805 19942 813 1 2 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.313 -0.217 19942 814 1 2 . 1 1 53 53 ALA H H 53 8.150 8.150 7.022 1.128 19942 815 1 2 . 1 1 54 54 LYS N N 54 120.764 120.764 121.320 -0.556 19942 816 1 2 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.853 0.056 19942 817 1 2 . 1 1 54 54 LYS C C 54 173.892 173.892 174.577 -0.685 19942 818 1 2 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.214 -1.452 19942 819 1 2 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.705 -0.596 19942 820 1 2 . 1 1 54 54 LYS H H 54 8.397 8.397 8.018 0.379 19942 821 1 2 . 1 1 55 55 VAL N N 55 118.409 118.409 123.702 -5.293 19942 822 1 2 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.496 0.437 19942 823 1 2 . 1 1 55 55 VAL C C 55 172.770 172.770 174.741 -1.971 19942 824 1 2 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.074 -3.004 19942 825 1 2 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.990 1.884 19942 826 1 2 . 1 1 55 55 VAL H H 55 8.748 8.748 8.575 0.173 19942 827 1 2 . 1 1 56 56 SER N N 56 119.976 119.976 124.046 -4.070 19942 828 1 2 . 1 1 56 56 SER HA H 56 4.364 4.364 4.716 -0.352 19942 829 1 2 . 1 1 56 56 SER C C 56 174.635 174.635 172.927 1.708 19942 830 1 2 . 1 1 56 56 SER CA C 56 57.399 57.399 58.032 -0.633 19942 831 1 2 . 1 1 56 56 SER CB C 56 63.633 63.633 63.709 -0.076 19942 832 1 2 . 1 1 56 56 SER H H 56 7.851 7.851 8.565 -0.714 19942 833 1 2 . 1 1 57 57 ASN N N 57 124.627 124.627 124.056 0.571 19942 834 1 2 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.954 0.303 19942 835 1 2 . 1 1 57 57 ASN C C 57 174.450 174.450 174.099 0.351 19942 836 1 2 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.327 1.061 19942 837 1 2 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.168 1.362 19942 838 1 2 . 1 1 57 57 ASN H H 57 9.190 9.190 8.350 0.840 19942 839 1 2 . 1 1 58 58 ALA N N 58 127.007 127.007 125.285 1.722 19942 840 1 2 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.427 -0.089 19942 841 1 2 . 1 1 58 58 ALA C C 58 178.628 178.628 178.807 -0.179 19942 842 1 2 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.586 0.642 19942 843 1 2 . 1 1 58 58 ALA CB C 58 18.910 18.910 19.729 -0.819 19942 844 1 2 . 1 1 58 58 ALA H H 58 8.121 8.121 8.565 -0.444 19942 845 1 2 . 1 1 59 59 SER N N 59 116.407 116.407 114.312 2.095 19942 846 1 2 . 1 1 59 59 SER HA H 59 4.888 4.888 4.284 0.604 19942 847 1 2 . 1 1 59 59 SER C C 59 176.729 176.729 175.750 0.979 19942 848 1 2 . 1 1 59 59 SER CA C 59 62.500 62.500 61.089 1.411 19942 849 1 2 . 1 1 59 59 SER CB C 59 63.113 63.113 62.973 0.140 19942 850 1 2 . 1 1 59 59 SER H H 59 8.767 8.767 8.722 0.045 19942 851 1 2 . 1 1 60 60 GLU N N 60 117.093 117.093 118.481 -1.388 19942 852 1 2 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.308 -0.076 19942 853 1 2 . 1 1 60 60 GLU C C 60 177.467 177.467 177.385 0.082 19942 854 1 2 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.909 0.807 19942 855 1 2 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.809 -0.198 19942 856 1 2 . 1 1 60 60 GLU H H 60 9.190 9.190 8.446 0.744 19942 857 1 2 . 1 1 61 61 THR N N 61 107.270 107.270 107.906 -0.636 19942 858 1 2 . 1 1 61 61 THR HA H 61 4.820 4.820 4.410 0.410 19942 859 1 2 . 1 1 61 61 THR C C 61 173.068 173.068 174.862 -1.794 19942 860 1 2 . 1 1 61 61 THR CA C 61 59.191 59.191 61.062 -1.871 19942 861 1 2 . 1 1 61 61 THR CB C 61 69.219 69.219 69.269 -0.050 19942 862 1 2 . 1 1 61 61 THR H H 61 7.369 7.369 7.220 0.149 19942 863 1 2 . 1 1 62 62 LYS N N 62 122.917 122.917 123.162 -0.245 19942 864 1 2 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.152 -0.466 19942 865 1 2 . 1 1 62 62 LYS C C 62 178.225 178.225 176.907 1.318 19942 866 1 2 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.141 -0.020 19942 867 1 2 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.527 0.763 19942 868 1 2 . 1 1 62 62 LYS H H 62 6.924 6.924 7.504 -0.580 19942 869 1 2 . 1 1 63 63 GLY N N 63 111.784 111.784 109.949 1.835 19942 870 1 2 . 1 1 63 63 GLY C C 63 171.831 171.831 172.259 -0.428 19942 871 1 2 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.229 0.126 19942 872 1 2 . 1 1 63 63 GLY H H 63 7.966 7.966 8.548 -0.582 19942 873 1 2 . 1 1 64 64 LEU N N 64 120.854 120.854 120.826 0.028 19942 874 1 2 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.337 -0.277 19942 875 1 2 . 1 1 64 64 LEU C C 64 176.666 176.666 174.200 2.466 19942 876 1 2 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.468 2.095 19942 877 1 2 . 1 1 64 64 LEU CB C 64 43.073 43.073 42.736 0.337 19942 878 1 2 . 1 1 64 64 LEU H H 64 7.785 7.785 7.711 0.074 19942 879 1 2 . 1 1 65 65 VAL N N 65 135.184 135.184 126.111 9.073 19942 880 1 2 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.353 0.283 19942 881 1 2 . 1 1 65 65 VAL C C 65 174.956 174.956 174.476 0.480 19942 882 1 2 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.298 0.025 19942 883 1 2 . 1 1 65 65 VAL CB C 65 32.996 32.996 36.004 -3.008 19942 884 1 2 . 1 1 65 65 VAL H H 65 8.973 8.973 7.782 1.191 19942 885 1 2 . 1 1 66 66 THR N N 66 121.955 121.955 122.482 -0.527 19942 886 1 2 . 1 1 66 66 THR HA H 66 4.774 4.774 4.611 0.163 19942 887 1 2 . 1 1 66 66 THR C C 66 174.266 174.266 173.551 0.715 19942 888 1 2 . 1 1 66 66 THR CA C 66 61.225 61.225 61.645 -0.420 19942 889 1 2 . 1 1 66 66 THR CB C 66 71.190 71.190 70.684 0.506 19942 890 1 2 . 1 1 66 66 THR H H 66 8.947 8.947 8.264 0.683 19942 891 1 2 . 1 1 67 67 GLY N N 67 114.304 114.304 114.368 -0.064 19942 892 1 2 . 1 1 67 67 GLY C C 67 172.326 172.326 174.500 -2.174 19942 893 1 2 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.961 2.271 19942 894 1 2 . 1 1 67 67 GLY H H 67 9.201 9.201 8.342 0.859 19942 895 1 2 . 1 1 68 68 ILE N N 68 126.492 126.492 124.776 1.716 19942 896 1 2 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.953 0.170 19942 897 1 2 . 1 1 68 68 ILE C C 68 175.021 175.021 176.624 -1.603 19942 898 1 2 . 1 1 68 68 ILE CA C 68 61.608 61.608 61.940 -0.332 19942 899 1 2 . 1 1 68 68 ILE CB C 68 39.154 39.154 37.739 1.415 19942 900 1 2 . 1 1 68 68 ILE H H 68 8.927 8.927 8.577 0.350 19942 901 1 2 . 1 1 69 69 ALA N N 69 122.378 122.378 119.424 2.954 19942 902 1 2 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.366 0.029 19942 903 1 2 . 1 1 69 69 ALA C C 69 174.111 174.111 175.324 -1.213 19942 904 1 2 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.653 -0.793 19942 905 1 2 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.639 2.418 19942 906 1 2 . 1 1 69 69 ALA H H 69 8.413 8.413 7.521 0.892 19942 907 1 2 . 1 1 70 70 SER N N 70 110.668 110.668 116.905 -6.237 19942 908 1 2 . 1 1 70 70 SER HA H 70 4.013 4.013 4.516 -0.503 19942 909 1 2 . 1 1 70 70 SER C C 70 174.180 174.180 173.595 0.585 19942 910 1 2 . 1 1 70 70 SER CA C 70 58.620 58.620 57.558 1.062 19942 911 1 2 . 1 1 70 70 SER CB C 70 64.114 64.114 64.070 0.043 19942 912 1 2 . 1 1 70 70 SER H H 70 8.109 8.109 7.794 0.315 19942 913 1 2 . 1 1 71 71 GLY N N 71 108.506 108.506 108.346 0.160 19942 914 1 2 . 1 1 71 71 GLY C C 71 170.868 170.868 173.027 -2.159 19942 915 1 2 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.675 -1.332 19942 916 1 2 . 1 1 71 71 GLY H H 71 8.055 8.055 8.944 -0.889 19942 917 1 2 . 1 1 72 72 ASN N N 72 116.234 116.234 118.972 -2.738 19942 918 1 2 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.370 -0.478 19942 919 1 2 . 1 1 72 72 ASN C C 72 171.109 171.109 172.932 -1.823 19942 920 1 2 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.000 0.409 19942 921 1 2 . 1 1 72 72 ASN CB C 72 39.972 39.972 41.291 -1.319 19942 922 1 2 . 1 1 72 72 ASN H H 72 8.238 8.238 8.060 0.178 19942 923 1 2 . 1 1 73 73 PRO C C 73 173.522 173.522 176.000 -2.478 19942 924 1 2 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.366 0.956 19942 925 1 2 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.142 -1.089 19942 926 1 2 . 1 1 74 74 THR N N 74 115.192 115.192 117.250 -2.058 19942 927 1 2 . 1 1 74 74 THR HA H 74 4.399 4.399 4.658 -0.259 19942 928 1 2 . 1 1 74 74 THR C C 74 173.467 173.467 173.240 0.227 19942 929 1 2 . 1 1 74 74 THR CA C 74 61.852 61.852 62.211 -0.359 19942 930 1 2 . 1 1 74 74 THR CB C 74 70.609 70.609 71.065 -0.456 19942 931 1 2 . 1 1 74 74 THR H H 74 8.775 8.775 8.009 0.766 19942 932 1 2 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.999 -0.116 19942 933 1 2 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.687 3.100 19942 934 1 2 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.349 -1.482 19942 935 1 2 . 1 1 76 76 ILE N N 76 126.694 126.694 127.141 -0.447 19942 936 1 2 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.503 0.172 19942 937 1 2 . 1 1 76 76 ILE C C 76 173.870 173.870 174.278 -0.408 19942 938 1 2 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.911 0.632 19942 939 1 2 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.757 0.163 19942 940 1 2 . 1 1 76 76 ILE H H 76 8.982 8.982 8.303 0.679 19942 941 1 2 . 1 1 77 77 ALA N N 77 126.455 126.455 130.304 -3.849 19942 942 1 2 . 1 1 77 77 ALA HA H 77 4.499 4.499 5.032 -0.533 19942 943 1 2 . 1 1 77 77 ALA C C 77 175.857 175.857 176.148 -0.291 19942 944 1 2 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.628 0.165 19942 945 1 2 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.080 0.592 19942 946 1 2 . 1 1 77 77 ALA H H 77 8.431 8.431 8.886 -0.455 19942 947 1 2 . 1 1 78 78 THR N N 78 116.767 116.767 120.787 -4.020 19942 948 1 2 . 1 1 78 78 THR HA H 78 4.849 4.849 4.582 0.267 19942 949 1 2 . 1 1 78 78 THR C C 78 173.211 173.211 172.570 0.641 19942 950 1 2 . 1 1 78 78 THR CA C 78 61.343 61.343 62.035 -0.692 19942 951 1 2 . 1 1 78 78 THR CB C 78 71.627 71.627 71.058 0.569 19942 952 1 2 . 1 1 78 78 THR H H 78 8.135 8.135 8.358 -0.223 19942 953 1 2 . 1 1 79 79 TYR N N 79 127.950 127.950 128.864 -0.914 19942 954 1 2 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.761 -0.132 19942 955 1 2 . 1 1 79 79 TYR C C 79 174.921 174.921 175.005 -0.084 19942 956 1 2 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.821 0.685 19942 957 1 2 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.835 -0.263 19942 958 1 2 . 1 1 79 79 TYR H H 79 9.136 9.136 8.843 0.293 19942 959 1 2 . 1 1 80 80 GLY N N 80 118.393 118.393 116.578 1.815 19942 960 1 2 . 1 1 80 80 GLY C C 80 174.902 174.902 174.271 0.631 19942 961 1 2 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.286 0.583 19942 962 1 2 . 1 1 80 80 GLY H H 80 8.786 8.786 8.131 0.655 19942 963 1 2 . 1 1 81 81 SER N N 81 113.872 113.872 118.415 -4.543 19942 964 1 2 . 1 1 81 81 SER HA H 81 4.348 4.348 4.477 -0.129 19942 965 1 2 . 1 1 81 81 SER C C 81 173.279 173.279 174.166 -0.887 19942 966 1 2 . 1 1 81 81 SER CA C 81 58.658 58.658 58.692 -0.034 19942 967 1 2 . 1 1 81 81 SER CB C 81 63.490 63.490 63.632 -0.142 19942 968 1 2 . 1 1 81 81 SER H H 81 7.878 7.878 8.127 -0.249 19942 969 1 2 . 1 1 82 82 VAL N N 82 124.320 124.320 123.821 0.499 19942 970 1 2 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.361 -0.112 19942 971 1 2 . 1 1 82 82 VAL C C 82 173.455 173.455 174.114 -0.659 19942 972 1 2 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.795 -0.143 19942 973 1 2 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.497 -1.031 19942 974 1 2 . 1 1 82 82 VAL H H 82 7.845 7.845 8.021 -0.176 19942 975 1 2 . 1 1 83 83 SER N N 83 119.056 119.056 121.031 -1.975 19942 976 1 2 . 1 1 83 83 SER HA H 83 5.507 5.507 4.967 0.540 19942 977 1 2 . 1 1 83 83 SER C C 83 173.841 173.841 173.180 0.661 19942 978 1 2 . 1 1 83 83 SER CA C 83 56.624 56.624 56.766 -0.142 19942 979 1 2 . 1 1 83 83 SER CB C 83 66.733 66.733 66.545 0.188 19942 980 1 2 . 1 1 83 83 SER H H 83 8.549 8.549 8.492 0.057 19942 981 1 2 . 1 1 84 84 GLY N N 84 111.431 111.431 108.354 3.077 19942 982 1 2 . 1 1 84 84 GLY C C 84 171.253 171.253 172.281 -1.028 19942 983 1 2 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.371 -0.088 19942 984 1 2 . 1 1 84 84 GLY H H 84 8.957 8.957 8.835 0.122 19942 985 1 2 . 1 1 85 85 ASN N N 85 114.909 114.909 120.193 -5.284 19942 986 1 2 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.118 0.781 19942 987 1 2 . 1 1 85 85 ASN C C 85 174.553 174.553 174.693 -0.140 19942 988 1 2 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.307 0.486 19942 989 1 2 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.493 1.653 19942 990 1 2 . 1 1 85 85 ASN H H 85 8.752 8.752 8.472 0.280 19942 991 1 2 . 1 1 86 86 THR N N 86 114.501 114.501 118.089 -3.588 19942 992 1 2 . 1 1 86 86 THR HA H 86 4.677 4.677 4.614 0.063 19942 993 1 2 . 1 1 86 86 THR C C 86 170.890 170.890 172.798 -1.908 19942 994 1 2 . 1 1 86 86 THR CA C 86 61.715 61.715 61.436 0.279 19942 995 1 2 . 1 1 86 86 THR CB C 86 70.636 70.636 70.908 -0.272 19942 996 1 2 . 1 1 86 86 THR H H 86 8.922 8.922 8.218 0.704 19942 997 1 2 . 1 1 87 87 ILE N N 87 125.857 125.857 124.083 1.774 19942 998 1 2 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.153 0.389 19942 999 1 2 . 1 1 87 87 ILE C C 87 175.495 175.495 175.172 0.323 19942 1000 1 2 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.684 0.559 19942 1001 1 2 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.749 0.674 19942 1002 1 2 . 1 1 87 87 ILE H H 87 8.020 8.020 8.346 -0.326 19942 1003 1 2 . 1 1 88 88 LEU N N 88 129.304 129.304 128.325 0.979 19942 1004 1 2 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.772 -0.089 19942 1005 1 2 . 1 1 88 88 LEU C C 88 174.979 174.979 175.873 -0.894 19942 1006 1 2 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.462 0.276 19942 1007 1 2 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.668 0.968 19942 1008 1 2 . 1 1 88 88 LEU H H 88 8.797 8.797 8.150 0.647 19942 1009 1 2 . 1 1 89 89 THR N N 89 117.751 117.751 116.888 0.863 19942 1010 1 2 . 1 1 89 89 THR HA H 89 4.749 4.749 4.639 0.110 19942 1011 1 2 . 1 1 89 89 THR C C 89 173.269 173.269 173.370 -0.101 19942 1012 1 2 . 1 1 89 89 THR CA C 89 62.794 62.794 61.558 1.236 19942 1013 1 2 . 1 1 89 89 THR CB C 89 70.202 70.202 71.455 -1.253 19942 1014 1 2 . 1 1 89 89 THR H H 89 7.882 7.882 9.132 -1.250 19942 1015 1 2 . 1 1 90 90 VAL N N 90 127.485 127.485 125.717 1.768 19942 1016 1 2 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.011 0.826 19942 1017 1 2 . 1 1 90 90 VAL C C 90 176.460 176.460 174.582 1.878 19942 1018 1 2 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.651 -2.240 19942 1019 1 2 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.711 -0.052 19942 1020 1 2 . 1 1 90 90 VAL H H 90 9.139 9.139 8.137 1.002 19942 1021 1 2 . 1 1 91 91 ASN N N 91 126.674 126.674 125.709 0.965 19942 1022 1 2 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.896 -0.057 19942 1023 1 2 . 1 1 91 91 ASN C C 91 174.311 174.311 173.778 0.533 19942 1024 1 2 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.434 1.345 19942 1025 1 2 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.172 -1.395 19942 1026 1 2 . 1 1 91 91 ASN H H 91 8.992 8.992 8.277 0.715 19942 1027 1 2 . 1 1 92 92 LYS N N 92 122.622 122.622 121.554 1.068 19942 1028 1 2 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.368 0.050 19942 1029 1 2 . 1 1 92 92 LYS C C 92 176.757 176.757 176.926 -0.169 19942 1030 1 2 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.913 -0.443 19942 1031 1 2 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.848 0.454 19942 1032 1 2 . 1 1 92 92 LYS H H 92 8.556 8.556 8.459 0.097 19942 1033 1 2 . 1 1 93 93 THR N N 93 119.358 119.358 115.464 3.894 19942 1034 1 2 . 1 1 93 93 THR HA H 93 4.315 4.315 4.331 -0.016 19942 1035 1 2 . 1 1 93 93 THR C C 93 174.018 174.018 174.706 -0.688 19942 1036 1 2 . 1 1 93 93 THR CA C 93 62.060 62.060 61.954 0.106 19942 1037 1 2 . 1 1 93 93 THR CB C 93 69.715 69.715 69.328 0.387 19942 1038 1 2 . 1 1 93 93 THR H H 93 8.439 8.439 8.411 0.028 19942 1039 1 2 . 1 1 94 94 ASP N N 94 124.142 124.142 123.991 0.151 19942 1040 1 2 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.623 0.042 19942 1041 1 2 . 1 1 94 94 ASP C C 94 175.464 175.464 176.779 -1.315 19942 1042 1 2 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.809 0.705 19942 1043 1 2 . 1 1 94 94 ASP CB C 94 41.117 41.117 39.932 1.185 19942 1044 1 2 . 1 1 94 94 ASP H H 94 8.583 8.583 8.260 0.323 19942 1045 1 3 . 1 1 3 3 ALA N N 3 123.810 123.810 120.155 3.655 19942 1046 1 3 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.604 -0.395 19942 1047 1 3 . 1 1 3 3 ALA C C 3 177.476 177.476 176.182 1.294 19942 1048 1 3 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.541 0.909 19942 1049 1 3 . 1 1 3 3 ALA CB C 3 19.517 19.517 21.426 -1.909 19942 1050 1 3 . 1 1 3 3 ALA H H 3 8.387 8.387 7.727 0.660 19942 1051 1 3 . 1 1 4 4 THR N N 4 113.060 113.060 114.881 -1.821 19942 1052 1 3 . 1 1 4 4 THR HA H 4 4.621 4.621 4.649 -0.028 19942 1053 1 3 . 1 1 4 4 THR C C 4 174.426 174.426 173.163 1.263 19942 1054 1 3 . 1 1 4 4 THR CA C 4 60.020 60.020 61.066 -1.046 19942 1055 1 3 . 1 1 4 4 THR CB C 4 71.041 71.041 70.491 0.550 19942 1056 1 3 . 1 1 4 4 THR H H 4 8.593 8.593 8.663 -0.070 19942 1057 1 3 . 1 1 5 5 LEU N N 5 125.889 125.889 124.254 1.635 19942 1058 1 3 . 1 1 5 5 LEU HA H 5 3.436 3.436 3.944 -0.508 19942 1059 1 3 . 1 1 5 5 LEU C C 5 175.432 175.432 176.147 -0.715 19942 1060 1 3 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.545 0.646 19942 1061 1 3 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.970 -0.711 19942 1062 1 3 . 1 1 5 5 LEU H H 5 8.888 8.888 8.582 0.306 19942 1063 1 3 . 1 1 6 6 SER N N 6 123.564 123.564 122.636 0.928 19942 1064 1 3 . 1 1 6 6 SER HA H 6 4.574 4.574 4.388 0.186 19942 1065 1 3 . 1 1 6 6 SER C C 6 174.217 174.217 174.106 0.111 19942 1066 1 3 . 1 1 6 6 SER CA C 6 59.688 59.688 59.992 -0.304 19942 1067 1 3 . 1 1 6 6 SER CB C 6 64.300 64.300 64.001 0.299 19942 1068 1 3 . 1 1 6 6 SER H H 6 9.155 9.155 8.926 0.229 19942 1069 1 3 . 1 1 7 7 SER N N 7 112.212 112.212 111.452 0.760 19942 1070 1 3 . 1 1 7 7 SER HA H 7 4.499 4.499 4.659 -0.160 19942 1071 1 3 . 1 1 7 7 SER C C 7 171.592 171.592 172.161 -0.569 19942 1072 1 3 . 1 1 7 7 SER CA C 7 57.676 57.676 57.458 0.218 19942 1073 1 3 . 1 1 7 7 SER CB C 7 64.795 64.795 65.356 -0.562 19942 1074 1 3 . 1 1 7 7 SER H H 7 7.913 7.913 7.631 0.282 19942 1075 1 3 . 1 1 8 8 ILE N N 8 120.132 120.132 121.950 -1.818 19942 1076 1 3 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.348 0.313 19942 1077 1 3 . 1 1 8 8 ILE C C 8 174.094 174.094 174.717 -0.623 19942 1078 1 3 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.124 0.193 19942 1079 1 3 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.301 2.624 19942 1080 1 3 . 1 1 8 8 ILE H H 8 8.628 8.628 8.274 0.354 19942 1081 1 3 . 1 1 9 9 SER N N 9 120.939 120.939 124.570 -3.631 19942 1082 1 3 . 1 1 9 9 SER HA H 9 4.907 4.907 4.900 0.007 19942 1083 1 3 . 1 1 9 9 SER C C 9 173.176 173.176 173.245 -0.069 19942 1084 1 3 . 1 1 9 9 SER CA C 9 56.291 56.291 56.968 -0.677 19942 1085 1 3 . 1 1 9 9 SER CB C 9 65.325 65.325 66.075 -0.750 19942 1086 1 3 . 1 1 9 9 SER H H 9 8.761 8.761 8.824 -0.063 19942 1087 1 3 . 1 1 10 10 ILE N N 10 126.047 126.047 122.693 3.354 19942 1088 1 3 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.380 1.097 19942 1089 1 3 . 1 1 10 10 ILE C C 10 175.259 175.259 176.123 -0.864 19942 1090 1 3 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.931 -1.839 19942 1091 1 3 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.283 0.559 19942 1092 1 3 . 1 1 10 10 ILE H H 10 8.852 8.852 8.485 0.367 19942 1093 1 3 . 1 1 11 11 SER N N 11 122.938 122.938 122.948 -0.010 19942 1094 1 3 . 1 1 11 11 SER HA H 11 4.704 4.704 4.981 -0.277 19942 1095 1 3 . 1 1 11 11 SER C C 11 170.288 170.288 173.455 -3.167 19942 1096 1 3 . 1 1 11 11 SER CA C 11 55.401 55.401 56.857 -1.456 19942 1097 1 3 . 1 1 11 11 SER CB C 11 65.248 65.248 63.974 1.274 19942 1098 1 3 . 1 1 11 11 SER H H 11 9.108 9.108 9.011 0.097 19942 1099 1 3 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.422 0.275 19942 1100 1 3 . 1 1 12 12 PRO C C 12 175.467 175.467 175.603 -0.136 19942 1101 1 3 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.665 -2.209 19942 1102 1 3 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.228 2.678 19942 1103 1 3 . 1 1 13 13 ILE N N 13 118.003 118.003 119.484 -1.481 19942 1104 1 3 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.036 0.315 19942 1105 1 3 . 1 1 13 13 ILE C C 13 176.535 176.535 175.376 1.159 19942 1106 1 3 . 1 1 13 13 ILE CA C 13 61.092 61.092 61.067 0.025 19942 1107 1 3 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.107 1.126 19942 1108 1 3 . 1 1 13 13 ILE H H 13 8.233 8.233 8.177 0.056 19942 1109 1 3 . 1 1 14 14 ASN N N 14 122.727 122.727 123.191 -0.464 19942 1110 1 3 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.495 0.281 19942 1111 1 3 . 1 1 14 14 ASN C C 14 175.286 175.286 174.321 0.965 19942 1112 1 3 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.947 -1.361 19942 1113 1 3 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.143 -0.647 19942 1114 1 3 . 1 1 14 14 ASN H H 14 8.501 8.501 8.515 -0.014 19942 1115 1 3 . 1 1 15 15 THR N N 15 114.899 114.899 111.722 3.177 19942 1116 1 3 . 1 1 15 15 THR HA H 15 4.587 4.587 4.591 -0.004 19942 1117 1 3 . 1 1 15 15 THR C C 15 173.339 173.339 173.007 0.332 19942 1118 1 3 . 1 1 15 15 THR CA C 15 61.059 61.059 61.589 -0.530 19942 1119 1 3 . 1 1 15 15 THR CB C 15 69.683 69.683 69.040 0.643 19942 1120 1 3 . 1 1 15 15 THR H H 15 8.878 8.878 8.461 0.417 19942 1121 1 3 . 1 1 16 16 ASN N N 16 119.994 119.994 121.326 -1.332 19942 1122 1 3 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.513 0.301 19942 1123 1 3 . 1 1 16 16 ASN C C 16 173.995 173.995 173.349 0.646 19942 1124 1 3 . 1 1 16 16 ASN CA C 16 52.386 52.386 51.931 0.455 19942 1125 1 3 . 1 1 16 16 ASN CB C 16 41.379 41.379 41.737 -0.358 19942 1126 1 3 . 1 1 16 16 ASN H H 16 8.293 8.293 8.164 0.129 19942 1127 1 3 . 1 1 17 17 ILE N N 17 118.356 118.356 119.418 -1.062 19942 1128 1 3 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.241 0.482 19942 1129 1 3 . 1 1 17 17 ILE C C 17 173.556 173.556 174.057 -0.501 19942 1130 1 3 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.579 -1.088 19942 1131 1 3 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.350 1.087 19942 1132 1 3 . 1 1 17 17 ILE H H 17 8.962 8.962 8.270 0.692 19942 1133 1 3 . 1 1 18 18 ASN N N 18 122.798 122.798 123.287 -0.489 19942 1134 1 3 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.982 0.557 19942 1135 1 3 . 1 1 18 18 ASN C C 18 176.607 176.607 174.898 1.709 19942 1136 1 3 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.934 -0.642 19942 1137 1 3 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.803 -1.460 19942 1138 1 3 . 1 1 18 18 ASN H H 18 8.404 8.404 8.424 -0.020 19942 1139 1 3 . 1 1 19 19 THR C C 19 175.737 175.737 174.681 1.056 19942 1140 1 3 . 1 1 19 19 THR CA C 19 62.695 62.695 64.020 -1.325 19942 1141 1 3 . 1 1 19 19 THR CB C 19 68.758 68.758 68.067 0.691 19942 1142 1 3 . 1 1 20 20 THR N N 20 113.750 113.750 116.801 -3.051 19942 1143 1 3 . 1 1 20 20 THR HA H 20 4.281 4.281 3.788 0.493 19942 1144 1 3 . 1 1 20 20 THR C C 20 173.630 173.630 173.881 -0.251 19942 1145 1 3 . 1 1 20 20 THR CA C 20 64.559 64.559 64.176 0.383 19942 1146 1 3 . 1 1 20 20 THR CB C 20 69.925 69.925 67.441 2.484 19942 1147 1 3 . 1 1 20 20 THR H H 20 8.400 8.400 8.623 -0.223 19942 1148 1 3 . 1 1 21 21 VAL N N 21 124.237 124.237 120.144 4.093 19942 1149 1 3 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.256 -0.008 19942 1150 1 3 . 1 1 21 21 VAL C C 21 175.464 175.464 175.094 0.370 19942 1151 1 3 . 1 1 21 21 VAL CA C 21 62.273 62.273 61.265 1.008 19942 1152 1 3 . 1 1 21 21 VAL H H 21 7.953 7.953 7.728 0.225 19942 1153 1 3 . 1 1 22 22 SER HA H 22 5.542 5.542 4.849 0.693 19942 1154 1 3 . 1 1 22 22 SER C C 22 173.145 173.145 173.501 -0.356 19942 1155 1 3 . 1 1 22 22 SER CA C 22 58.153 58.153 58.128 0.025 19942 1156 1 3 . 1 1 22 22 SER CB C 22 64.768 64.768 64.112 0.656 19942 1157 1 3 . 1 1 23 23 LYS N N 23 124.177 124.177 124.445 -0.268 19942 1158 1 3 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.449 0.061 19942 1159 1 3 . 1 1 23 23 LYS C C 23 173.847 173.847 173.848 -0.001 19942 1160 1 3 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.599 -0.648 19942 1161 1 3 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.585 1.331 19942 1162 1 3 . 1 1 23 23 LYS H H 23 9.372 9.372 8.260 1.112 19942 1163 1 3 . 1 1 24 24 GLN N N 24 128.777 128.777 126.064 2.713 19942 1164 1 3 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.391 -0.707 19942 1165 1 3 . 1 1 24 24 GLN C C 24 173.229 173.229 174.034 -0.805 19942 1166 1 3 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.864 2.264 19942 1167 1 3 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.181 -1.663 19942 1168 1 3 . 1 1 24 24 GLN H H 24 8.742 8.742 8.289 0.453 19942 1169 1 3 . 1 1 25 25 PHE N N 25 128.481 128.481 118.940 9.541 19942 1170 1 3 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.729 0.276 19942 1171 1 3 . 1 1 25 25 PHE C C 25 174.268 174.268 173.358 0.910 19942 1172 1 3 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.293 2.065 19942 1173 1 3 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.587 0.246 19942 1174 1 3 . 1 1 25 25 PHE H H 25 7.728 7.728 6.358 1.370 19942 1175 1 3 . 1 1 26 26 PHE N N 26 114.641 114.641 118.415 -3.774 19942 1176 1 3 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.170 0.357 19942 1177 1 3 . 1 1 26 26 PHE C C 26 175.679 175.679 175.306 0.373 19942 1178 1 3 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.649 0.502 19942 1179 1 3 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.721 0.016 19942 1180 1 3 . 1 1 26 26 PHE H H 26 9.354 9.354 7.816 1.538 19942 1181 1 3 . 1 1 27 27 ALA N N 27 123.352 123.352 123.424 -0.072 19942 1182 1 3 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.051 0.154 19942 1183 1 3 . 1 1 27 27 ALA C C 27 174.966 174.966 175.450 -0.484 19942 1184 1 3 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.777 -0.831 19942 1185 1 3 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.698 0.192 19942 1186 1 3 . 1 1 27 27 ALA H H 27 8.935 8.935 9.616 -0.681 19942 1187 1 3 . 1 1 28 28 VAL N N 28 122.875 122.875 124.215 -1.340 19942 1188 1 3 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.636 0.031 19942 1189 1 3 . 1 1 28 28 VAL C C 28 177.371 177.371 175.094 2.277 19942 1190 1 3 . 1 1 28 28 VAL CA C 28 61.214 61.214 61.020 0.194 19942 1191 1 3 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.694 -0.399 19942 1192 1 3 . 1 1 28 28 VAL H H 28 8.933 8.933 8.472 0.461 19942 1193 1 3 . 1 1 29 29 GLY N N 29 118.628 118.628 114.040 4.588 19942 1194 1 3 . 1 1 29 29 GLY C C 29 171.637 171.637 172.214 -0.577 19942 1195 1 3 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.601 1.455 19942 1196 1 3 . 1 1 29 29 GLY H H 29 9.852 9.852 8.349 1.503 19942 1197 1 3 . 1 1 30 30 THR N N 30 119.749 119.749 119.325 0.424 19942 1198 1 3 . 1 1 30 30 THR HA H 30 5.033 5.033 5.226 -0.193 19942 1199 1 3 . 1 1 30 30 THR C C 30 173.854 173.854 173.832 0.022 19942 1200 1 3 . 1 1 30 30 THR CA C 30 62.384 62.384 61.535 0.849 19942 1201 1 3 . 1 1 30 30 THR CB C 30 69.631 69.631 70.610 -0.979 19942 1202 1 3 . 1 1 30 30 THR H H 30 8.632 8.632 7.870 0.762 19942 1203 1 3 . 1 1 31 31 TYR N N 31 126.778 126.778 127.204 -0.426 19942 1204 1 3 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.843 0.176 19942 1205 1 3 . 1 1 31 31 TYR C C 31 179.438 179.438 178.248 1.190 19942 1206 1 3 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.437 -0.424 19942 1207 1 3 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.273 1.597 19942 1208 1 3 . 1 1 31 31 TYR H H 31 9.411 9.411 9.363 0.048 19942 1209 1 3 . 1 1 32 32 SER N N 32 118.249 118.249 119.198 -0.949 19942 1210 1 3 . 1 1 32 32 SER HA H 32 4.112 4.112 4.229 -0.117 19942 1211 1 3 . 1 1 32 32 SER C C 32 174.175 174.175 175.323 -1.148 19942 1212 1 3 . 1 1 32 32 SER CA C 32 61.407 61.407 60.893 0.514 19942 1213 1 3 . 1 1 32 32 SER CB C 32 62.779 62.779 63.007 -0.228 19942 1214 1 3 . 1 1 32 32 SER H H 32 9.767 9.767 8.712 1.055 19942 1215 1 3 . 1 1 33 33 ASP N N 33 119.614 119.614 120.359 -0.745 19942 1216 1 3 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.650 0.084 19942 1217 1 3 . 1 1 33 33 ASP C C 33 177.097 177.097 177.257 -0.160 19942 1218 1 3 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.396 -1.720 19942 1219 1 3 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.160 0.361 19942 1220 1 3 . 1 1 33 33 ASP H H 33 7.702 7.702 8.068 -0.366 19942 1221 1 3 . 1 1 34 34 GLY N N 34 108.749 108.749 107.199 1.550 19942 1222 1 3 . 1 1 34 34 GLY C C 34 174.828 174.828 174.509 0.319 19942 1223 1 3 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.377 -0.084 19942 1224 1 3 . 1 1 34 34 GLY H H 34 8.420 8.420 8.481 -0.061 19942 1225 1 3 . 1 1 35 35 THR N N 35 113.544 113.544 116.158 -2.614 19942 1226 1 3 . 1 1 35 35 THR HA H 35 4.297 4.297 4.406 -0.109 19942 1227 1 3 . 1 1 35 35 THR C C 35 173.074 173.074 173.424 -0.350 19942 1228 1 3 . 1 1 35 35 THR CA C 35 62.762 62.762 62.258 0.504 19942 1229 1 3 . 1 1 35 35 THR CB C 35 71.079 71.079 70.060 1.019 19942 1230 1 3 . 1 1 35 35 THR H H 35 7.863 7.863 7.761 0.102 19942 1231 1 3 . 1 1 36 36 LYS N N 36 118.248 118.248 122.105 -3.857 19942 1232 1 3 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.412 0.515 19942 1233 1 3 . 1 1 36 36 LYS C C 36 176.847 176.847 175.376 1.471 19942 1234 1 3 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.128 -0.597 19942 1235 1 3 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.003 0.920 19942 1236 1 3 . 1 1 36 36 LYS H H 36 8.374 8.374 8.441 -0.067 19942 1237 1 3 . 1 1 37 37 ALA N N 37 121.621 121.621 124.664 -3.043 19942 1238 1 3 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.570 0.098 19942 1239 1 3 . 1 1 37 37 ALA C C 37 175.556 175.556 174.846 0.710 19942 1240 1 3 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.926 -0.549 19942 1241 1 3 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.745 1.792 19942 1242 1 3 . 1 1 37 37 ALA H H 37 8.892 8.892 8.508 0.384 19942 1243 1 3 . 1 1 38 38 ASP N N 38 121.602 121.602 121.243 0.359 19942 1244 1 3 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.038 -0.178 19942 1245 1 3 . 1 1 38 38 ASP C C 38 176.487 176.487 176.669 -0.182 19942 1246 1 3 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.603 0.631 19942 1247 1 3 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.180 -0.405 19942 1248 1 3 . 1 1 38 38 ASP H H 38 8.983 8.983 8.541 0.442 19942 1249 1 3 . 1 1 39 39 LEU N N 39 128.342 128.342 124.336 4.006 19942 1250 1 3 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.715 0.146 19942 1251 1 3 . 1 1 39 39 LEU C C 39 177.565 177.565 177.673 -0.108 19942 1252 1 3 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.177 -0.587 19942 1253 1 3 . 1 1 39 39 LEU CB C 39 43.933 43.933 42.120 1.813 19942 1254 1 3 . 1 1 39 39 LEU H H 39 9.218 9.218 8.667 0.551 19942 1255 1 3 . 1 1 40 40 THR N N 40 122.567 122.567 116.790 5.777 19942 1256 1 3 . 1 1 40 40 THR HA H 40 4.526 4.526 4.470 0.056 19942 1257 1 3 . 1 1 40 40 THR C C 40 174.562 174.562 176.028 -1.466 19942 1258 1 3 . 1 1 40 40 THR CA C 40 69.870 69.870 67.421 2.449 19942 1259 1 3 . 1 1 40 40 THR CB C 40 69.268 69.268 69.100 0.168 19942 1260 1 3 . 1 1 40 40 THR H H 40 8.983 8.983 8.412 0.571 19942 1261 1 3 . 1 1 41 41 SER N N 41 109.895 109.895 112.541 -2.646 19942 1262 1 3 . 1 1 41 41 SER HA H 41 4.465 4.465 4.605 -0.140 19942 1263 1 3 . 1 1 41 41 SER C C 41 174.686 174.686 175.569 -0.883 19942 1264 1 3 . 1 1 41 41 SER CA C 41 59.960 59.960 59.608 0.353 19942 1265 1 3 . 1 1 41 41 SER CB C 41 63.643 63.643 63.244 0.399 19942 1266 1 3 . 1 1 41 41 SER H H 41 8.749 8.749 8.679 0.070 19942 1267 1 3 . 1 1 42 42 SER N N 42 117.037 117.037 118.476 -1.439 19942 1268 1 3 . 1 1 42 42 SER HA H 42 4.706 4.706 4.701 0.005 19942 1269 1 3 . 1 1 42 42 SER C C 42 175.240 175.240 174.925 0.315 19942 1270 1 3 . 1 1 42 42 SER CA C 42 59.742 59.742 59.352 0.390 19942 1271 1 3 . 1 1 42 42 SER CB C 42 64.724 64.724 64.950 -0.226 19942 1272 1 3 . 1 1 42 42 SER H H 42 8.056 8.056 7.962 0.094 19942 1273 1 3 . 1 1 43 43 VAL N N 43 113.914 113.914 118.561 -4.647 19942 1274 1 3 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.903 -0.591 19942 1275 1 3 . 1 1 43 43 VAL C C 43 174.501 174.501 175.633 -1.132 19942 1276 1 3 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.532 0.540 19942 1277 1 3 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.379 -0.981 19942 1278 1 3 . 1 1 43 43 VAL H H 43 7.498 7.498 8.264 -0.766 19942 1279 1 3 . 1 1 44 44 THR N N 44 116.194 116.194 120.088 -3.894 19942 1280 1 3 . 1 1 44 44 THR HA H 44 4.515 4.515 4.792 -0.277 19942 1281 1 3 . 1 1 44 44 THR C C 44 175.110 175.110 173.848 1.262 19942 1282 1 3 . 1 1 44 44 THR CA C 44 62.468 62.468 61.955 0.513 19942 1283 1 3 . 1 1 44 44 THR CB C 44 69.914 69.914 70.383 -0.469 19942 1284 1 3 . 1 1 44 44 THR H H 44 9.020 9.020 8.094 0.926 19942 1285 1 3 . 1 1 45 45 TRP N N 45 133.716 133.716 128.320 5.396 19942 1286 1 3 . 1 1 45 45 TRP HA H 45 5.384 5.384 5.101 0.283 19942 1287 1 3 . 1 1 45 45 TRP C C 45 176.565 176.565 176.387 0.178 19942 1288 1 3 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.257 0.477 19942 1289 1 3 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.960 0.535 19942 1290 1 3 . 1 1 45 45 TRP H H 45 9.667 9.667 8.877 0.790 19942 1291 1 3 . 1 1 46 46 SER N N 46 117.142 117.142 117.837 -0.695 19942 1292 1 3 . 1 1 46 46 SER HA H 46 4.620 4.620 4.833 -0.213 19942 1293 1 3 . 1 1 46 46 SER C C 46 171.333 171.333 172.880 -1.547 19942 1294 1 3 . 1 1 46 46 SER CA C 46 58.013 58.013 57.200 0.812 19942 1295 1 3 . 1 1 46 46 SER CB C 46 65.605 65.605 65.863 -0.258 19942 1296 1 3 . 1 1 46 46 SER H H 46 10.001 10.001 8.453 1.548 19942 1297 1 3 . 1 1 47 47 SER N N 47 112.791 112.791 116.580 -3.789 19942 1298 1 3 . 1 1 47 47 SER HA H 47 5.530 5.530 5.398 0.132 19942 1299 1 3 . 1 1 47 47 SER C C 47 176.141 176.141 175.825 0.316 19942 1300 1 3 . 1 1 47 47 SER CA C 47 53.591 53.591 55.671 -2.080 19942 1301 1 3 . 1 1 47 47 SER CB C 47 66.167 66.167 65.912 0.255 19942 1302 1 3 . 1 1 47 47 SER H H 47 8.594 8.594 8.490 0.104 19942 1303 1 3 . 1 1 48 48 SER N N 48 122.562 122.562 119.270 3.292 19942 1304 1 3 . 1 1 48 48 SER HA H 48 4.289 4.289 4.377 -0.088 19942 1305 1 3 . 1 1 48 48 SER C C 48 174.767 174.767 175.813 -1.046 19942 1306 1 3 . 1 1 48 48 SER CA C 48 60.419 60.419 60.517 -0.098 19942 1307 1 3 . 1 1 48 48 SER CB C 48 62.630 62.630 63.470 -0.840 19942 1308 1 3 . 1 1 48 48 SER H H 48 9.685 9.685 8.454 1.231 19942 1309 1 3 . 1 1 49 49 ASN N N 49 118.253 118.253 122.260 -4.007 19942 1310 1 3 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.748 -0.015 19942 1311 1 3 . 1 1 49 49 ASN C C 49 175.845 175.845 174.628 1.217 19942 1312 1 3 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.074 0.492 19942 1313 1 3 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.671 1.413 19942 1314 1 3 . 1 1 49 49 ASN H H 49 8.006 8.006 7.854 0.152 19942 1315 1 3 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.274 0.270 19942 1316 1 3 . 1 1 50 50 GLN C C 50 175.944 175.944 178.162 -2.218 19942 1317 1 3 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.737 -1.275 19942 1318 1 3 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.002 -0.089 19942 1319 1 3 . 1 1 51 51 SER N N 51 113.229 113.229 113.791 -0.562 19942 1320 1 3 . 1 1 51 51 SER HA H 51 4.302 4.302 4.315 -0.013 19942 1321 1 3 . 1 1 51 51 SER C C 51 173.524 173.524 175.487 -1.963 19942 1322 1 3 . 1 1 51 51 SER CA C 51 59.973 59.973 60.820 -0.847 19942 1323 1 3 . 1 1 51 51 SER CB C 51 62.832 62.832 63.222 -0.390 19942 1324 1 3 . 1 1 51 51 SER H H 51 8.205 8.205 8.625 -0.420 19942 1325 1 3 . 1 1 52 52 GLN N N 52 116.510 116.510 118.518 -2.008 19942 1326 1 3 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.438 0.120 19942 1327 1 3 . 1 1 52 52 GLN C C 52 176.697 176.697 174.102 2.595 19942 1328 1 3 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.630 0.486 19942 1329 1 3 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.314 0.270 19942 1330 1 3 . 1 1 52 52 GLN H H 52 7.277 7.277 8.176 -0.899 19942 1331 1 3 . 1 1 53 53 ALA N N 53 119.325 119.325 118.998 0.327 19942 1332 1 3 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.627 0.281 19942 1333 1 3 . 1 1 53 53 ALA C C 53 174.225 174.225 174.949 -0.724 19942 1334 1 3 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.773 0.605 19942 1335 1 3 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.123 -0.027 19942 1336 1 3 . 1 1 53 53 ALA H H 53 8.150 8.150 7.105 1.045 19942 1337 1 3 . 1 1 54 54 LYS N N 54 120.764 120.764 120.791 -0.027 19942 1338 1 3 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.847 0.062 19942 1339 1 3 . 1 1 54 54 LYS C C 54 173.892 173.892 174.631 -0.739 19942 1340 1 3 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.221 -1.459 19942 1341 1 3 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.668 -0.560 19942 1342 1 3 . 1 1 54 54 LYS H H 54 8.397 8.397 8.003 0.394 19942 1343 1 3 . 1 1 55 55 VAL N N 55 118.409 118.409 124.526 -6.117 19942 1344 1 3 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.507 0.426 19942 1345 1 3 . 1 1 55 55 VAL C C 55 172.770 172.770 174.753 -1.983 19942 1346 1 3 . 1 1 55 55 VAL CA C 55 58.070 58.070 60.727 -2.657 19942 1347 1 3 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.725 2.149 19942 1348 1 3 . 1 1 55 55 VAL H H 55 8.748 8.748 8.601 0.147 19942 1349 1 3 . 1 1 56 56 SER N N 56 119.976 119.976 125.817 -5.841 19942 1350 1 3 . 1 1 56 56 SER HA H 56 4.364 4.364 4.740 -0.376 19942 1351 1 3 . 1 1 56 56 SER C C 56 174.635 174.635 173.054 1.581 19942 1352 1 3 . 1 1 56 56 SER CA C 56 57.399 57.399 57.924 -0.525 19942 1353 1 3 . 1 1 56 56 SER CB C 56 63.633 63.633 64.449 -0.816 19942 1354 1 3 . 1 1 56 56 SER H H 56 7.851 7.851 8.452 -0.601 19942 1355 1 3 . 1 1 57 57 ASN N N 57 124.627 124.627 122.396 2.231 19942 1356 1 3 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.902 0.355 19942 1357 1 3 . 1 1 57 57 ASN C C 57 174.450 174.450 174.401 0.049 19942 1358 1 3 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.568 0.820 19942 1359 1 3 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.170 1.360 19942 1360 1 3 . 1 1 57 57 ASN H H 57 9.190 9.190 8.273 0.917 19942 1361 1 3 . 1 1 58 58 ALA N N 58 127.007 127.007 124.779 2.228 19942 1362 1 3 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.543 -0.205 19942 1363 1 3 . 1 1 58 58 ALA C C 58 178.628 178.628 178.053 0.575 19942 1364 1 3 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.211 1.017 19942 1365 1 3 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.128 -1.218 19942 1366 1 3 . 1 1 58 58 ALA H H 58 8.121 8.121 8.354 -0.233 19942 1367 1 3 . 1 1 59 59 SER N N 59 116.407 116.407 114.199 2.208 19942 1368 1 3 . 1 1 59 59 SER HA H 59 4.888 4.888 4.244 0.644 19942 1369 1 3 . 1 1 59 59 SER C C 59 176.729 176.729 176.844 -0.115 19942 1370 1 3 . 1 1 59 59 SER CA C 59 62.500 62.500 61.511 0.989 19942 1371 1 3 . 1 1 59 59 SER CB C 59 63.113 63.113 62.926 0.187 19942 1372 1 3 . 1 1 59 59 SER H H 59 8.767 8.767 8.586 0.181 19942 1373 1 3 . 1 1 60 60 GLU N N 60 117.093 117.093 119.727 -2.634 19942 1374 1 3 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.303 -0.071 19942 1375 1 3 . 1 1 60 60 GLU C C 60 177.467 177.467 177.033 0.434 19942 1376 1 3 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.217 0.499 19942 1377 1 3 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.658 -0.047 19942 1378 1 3 . 1 1 60 60 GLU H H 60 9.190 9.190 8.526 0.664 19942 1379 1 3 . 1 1 61 61 THR N N 61 107.270 107.270 108.792 -1.522 19942 1380 1 3 . 1 1 61 61 THR HA H 61 4.820 4.820 4.337 0.483 19942 1381 1 3 . 1 1 61 61 THR C C 61 173.068 173.068 174.637 -1.569 19942 1382 1 3 . 1 1 61 61 THR CA C 61 59.191 59.191 60.653 -1.462 19942 1383 1 3 . 1 1 61 61 THR CB C 61 69.219 69.219 68.415 0.805 19942 1384 1 3 . 1 1 61 61 THR H H 61 7.369 7.369 7.709 -0.340 19942 1385 1 3 . 1 1 62 62 LYS N N 62 122.917 122.917 123.431 -0.514 19942 1386 1 3 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.166 -0.480 19942 1387 1 3 . 1 1 62 62 LYS C C 62 178.225 178.225 177.151 1.074 19942 1388 1 3 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.978 0.143 19942 1389 1 3 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.501 0.789 19942 1390 1 3 . 1 1 62 62 LYS H H 62 6.924 6.924 7.524 -0.600 19942 1391 1 3 . 1 1 63 63 GLY N N 63 111.784 111.784 110.919 0.865 19942 1392 1 3 . 1 1 63 63 GLY C C 63 171.831 171.831 172.074 -0.243 19942 1393 1 3 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.202 0.153 19942 1394 1 3 . 1 1 63 63 GLY H H 63 7.966 7.966 8.460 -0.494 19942 1395 1 3 . 1 1 64 64 LEU N N 64 120.854 120.854 120.572 0.282 19942 1396 1 3 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.377 -0.317 19942 1397 1 3 . 1 1 64 64 LEU C C 64 176.666 176.666 174.230 2.436 19942 1398 1 3 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.612 1.951 19942 1399 1 3 . 1 1 64 64 LEU CB C 64 43.073 43.073 42.908 0.165 19942 1400 1 3 . 1 1 64 64 LEU H H 64 7.785 7.785 7.691 0.094 19942 1401 1 3 . 1 1 65 65 VAL N N 65 135.184 135.184 125.985 9.199 19942 1402 1 3 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.429 0.207 19942 1403 1 3 . 1 1 65 65 VAL C C 65 174.956 174.956 174.655 0.301 19942 1404 1 3 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.093 0.230 19942 1405 1 3 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.740 -2.744 19942 1406 1 3 . 1 1 65 65 VAL H H 65 8.973 8.973 7.843 1.130 19942 1407 1 3 . 1 1 66 66 THR N N 66 121.955 121.955 123.789 -1.834 19942 1408 1 3 . 1 1 66 66 THR HA H 66 4.774 4.774 4.599 0.175 19942 1409 1 3 . 1 1 66 66 THR C C 66 174.266 174.266 173.162 1.104 19942 1410 1 3 . 1 1 66 66 THR CA C 66 61.225 61.225 61.580 -0.355 19942 1411 1 3 . 1 1 66 66 THR CB C 66 71.190 71.190 70.499 0.691 19942 1412 1 3 . 1 1 66 66 THR H H 66 8.947 8.947 8.184 0.763 19942 1413 1 3 . 1 1 67 67 GLY N N 67 114.304 114.304 113.998 0.306 19942 1414 1 3 . 1 1 67 67 GLY C C 67 172.326 172.326 174.288 -1.962 19942 1415 1 3 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.832 2.400 19942 1416 1 3 . 1 1 67 67 GLY H H 67 9.201 9.201 8.348 0.853 19942 1417 1 3 . 1 1 68 68 ILE N N 68 126.492 126.492 125.746 0.746 19942 1418 1 3 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.913 0.210 19942 1419 1 3 . 1 1 68 68 ILE C C 68 175.021 175.021 175.257 -0.236 19942 1420 1 3 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.933 -2.325 19942 1421 1 3 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.525 0.629 19942 1422 1 3 . 1 1 68 68 ILE H H 68 8.927 8.927 7.902 1.025 19942 1423 1 3 . 1 1 69 69 ALA N N 69 122.378 122.378 118.157 4.221 19942 1424 1 3 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.437 -0.042 19942 1425 1 3 . 1 1 69 69 ALA C C 69 174.111 174.111 175.384 -1.273 19942 1426 1 3 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.704 -0.845 19942 1427 1 3 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.193 1.864 19942 1428 1 3 . 1 1 69 69 ALA H H 69 8.413 8.413 7.487 0.926 19942 1429 1 3 . 1 1 70 70 SER N N 70 110.668 110.668 115.638 -4.970 19942 1430 1 3 . 1 1 70 70 SER HA H 70 4.013 4.013 4.633 -0.620 19942 1431 1 3 . 1 1 70 70 SER C C 70 174.180 174.180 174.495 -0.315 19942 1432 1 3 . 1 1 70 70 SER CA C 70 58.620 58.620 57.383 1.236 19942 1433 1 3 . 1 1 70 70 SER CB C 70 64.114 64.114 65.374 -1.260 19942 1434 1 3 . 1 1 70 70 SER H H 70 8.109 8.109 7.704 0.405 19942 1435 1 3 . 1 1 71 71 GLY N N 71 108.506 108.506 110.461 -1.955 19942 1436 1 3 . 1 1 71 71 GLY C C 71 170.868 170.868 173.182 -2.314 19942 1437 1 3 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.694 -1.351 19942 1438 1 3 . 1 1 71 71 GLY H H 71 8.055 8.055 8.854 -0.799 19942 1439 1 3 . 1 1 72 72 ASN N N 72 116.234 116.234 119.441 -3.207 19942 1440 1 3 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.221 -0.329 19942 1441 1 3 . 1 1 72 72 ASN C C 72 171.109 171.109 172.967 -1.858 19942 1442 1 3 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.008 0.401 19942 1443 1 3 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.066 -0.095 19942 1444 1 3 . 1 1 72 72 ASN H H 72 8.238 8.238 8.359 -0.121 19942 1445 1 3 . 1 1 73 73 PRO C C 73 173.522 173.522 175.857 -2.335 19942 1446 1 3 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.957 0.365 19942 1447 1 3 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.971 -0.917 19942 1448 1 3 . 1 1 74 74 THR N N 74 115.192 115.192 118.068 -2.876 19942 1449 1 3 . 1 1 74 74 THR HA H 74 4.399 4.399 4.666 -0.267 19942 1450 1 3 . 1 1 74 74 THR C C 74 173.467 173.467 173.513 -0.046 19942 1451 1 3 . 1 1 74 74 THR CA C 74 61.852 61.852 61.754 0.098 19942 1452 1 3 . 1 1 74 74 THR CB C 74 70.609 70.609 70.682 -0.073 19942 1453 1 3 . 1 1 74 74 THR H H 74 8.775 8.775 8.019 0.756 19942 1454 1 3 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.999 -0.116 19942 1455 1 3 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.724 3.063 19942 1456 1 3 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.027 -1.160 19942 1457 1 3 . 1 1 76 76 ILE N N 76 126.694 126.694 127.830 -1.136 19942 1458 1 3 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.381 0.294 19942 1459 1 3 . 1 1 76 76 ILE C C 76 173.870 173.870 174.512 -0.642 19942 1460 1 3 . 1 1 76 76 ILE CA C 76 60.543 60.543 58.528 2.015 19942 1461 1 3 . 1 1 76 76 ILE CB C 76 40.920 40.920 38.301 2.619 19942 1462 1 3 . 1 1 76 76 ILE H H 76 8.982 8.982 8.402 0.580 19942 1463 1 3 . 1 1 77 77 ALA N N 77 126.455 126.455 130.537 -4.082 19942 1464 1 3 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.959 -0.460 19942 1465 1 3 . 1 1 77 77 ALA C C 77 175.857 175.857 175.929 -0.072 19942 1466 1 3 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.728 0.065 19942 1467 1 3 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.355 0.317 19942 1468 1 3 . 1 1 77 77 ALA H H 77 8.431 8.431 8.555 -0.124 19942 1469 1 3 . 1 1 78 78 THR N N 78 116.767 116.767 121.111 -4.344 19942 1470 1 3 . 1 1 78 78 THR HA H 78 4.849 4.849 4.546 0.303 19942 1471 1 3 . 1 1 78 78 THR C C 78 173.211 173.211 172.498 0.713 19942 1472 1 3 . 1 1 78 78 THR CA C 78 61.343 61.343 62.033 -0.690 19942 1473 1 3 . 1 1 78 78 THR CB C 78 71.627 71.627 71.029 0.597 19942 1474 1 3 . 1 1 78 78 THR H H 78 8.135 8.135 8.124 0.011 19942 1475 1 3 . 1 1 79 79 TYR N N 79 127.950 127.950 128.952 -1.002 19942 1476 1 3 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.698 -0.069 19942 1477 1 3 . 1 1 79 79 TYR C C 79 174.921 174.921 175.255 -0.334 19942 1478 1 3 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.260 1.246 19942 1479 1 3 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.291 0.280 19942 1480 1 3 . 1 1 79 79 TYR H H 79 9.136 9.136 9.134 0.002 19942 1481 1 3 . 1 1 80 80 GLY N N 80 118.393 118.393 116.732 1.661 19942 1482 1 3 . 1 1 80 80 GLY C C 80 174.902 174.902 174.269 0.633 19942 1483 1 3 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.413 0.456 19942 1484 1 3 . 1 1 80 80 GLY H H 80 8.786 8.786 8.264 0.522 19942 1485 1 3 . 1 1 81 81 SER N N 81 113.872 113.872 118.120 -4.248 19942 1486 1 3 . 1 1 81 81 SER HA H 81 4.348 4.348 4.464 -0.116 19942 1487 1 3 . 1 1 81 81 SER C C 81 173.279 173.279 174.248 -0.969 19942 1488 1 3 . 1 1 81 81 SER CA C 81 58.658 58.658 58.452 0.206 19942 1489 1 3 . 1 1 81 81 SER CB C 81 63.490 63.490 63.608 -0.118 19942 1490 1 3 . 1 1 81 81 SER H H 81 7.878 7.878 8.123 -0.245 19942 1491 1 3 . 1 1 82 82 VAL N N 82 124.320 124.320 124.152 0.168 19942 1492 1 3 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.342 -0.093 19942 1493 1 3 . 1 1 82 82 VAL C C 82 173.455 173.455 174.163 -0.708 19942 1494 1 3 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.733 -0.081 19942 1495 1 3 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.518 -1.052 19942 1496 1 3 . 1 1 82 82 VAL H H 82 7.845 7.845 8.162 -0.317 19942 1497 1 3 . 1 1 83 83 SER N N 83 119.056 119.056 121.313 -2.257 19942 1498 1 3 . 1 1 83 83 SER HA H 83 5.507 5.507 5.015 0.492 19942 1499 1 3 . 1 1 83 83 SER C C 83 173.841 173.841 173.313 0.528 19942 1500 1 3 . 1 1 83 83 SER CA C 83 56.624 56.624 56.700 -0.076 19942 1501 1 3 . 1 1 83 83 SER CB C 83 66.733 66.733 66.508 0.225 19942 1502 1 3 . 1 1 83 83 SER H H 83 8.549 8.549 8.530 0.019 19942 1503 1 3 . 1 1 84 84 GLY N N 84 111.431 111.431 108.447 2.984 19942 1504 1 3 . 1 1 84 84 GLY C C 84 171.253 171.253 172.130 -0.877 19942 1505 1 3 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.312 -0.029 19942 1506 1 3 . 1 1 84 84 GLY H H 84 8.957 8.957 8.762 0.195 19942 1507 1 3 . 1 1 85 85 ASN N N 85 114.909 114.909 120.765 -5.856 19942 1508 1 3 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.009 0.890 19942 1509 1 3 . 1 1 85 85 ASN C C 85 174.553 174.553 174.498 0.055 19942 1510 1 3 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.841 -0.047 19942 1511 1 3 . 1 1 85 85 ASN CB C 85 43.146 43.146 40.994 2.152 19942 1512 1 3 . 1 1 85 85 ASN H H 85 8.752 8.752 8.554 0.198 19942 1513 1 3 . 1 1 86 86 THR N N 86 114.501 114.501 117.916 -3.415 19942 1514 1 3 . 1 1 86 86 THR HA H 86 4.677 4.677 4.666 0.011 19942 1515 1 3 . 1 1 86 86 THR C C 86 170.890 170.890 173.038 -2.148 19942 1516 1 3 . 1 1 86 86 THR CA C 86 61.715 61.715 61.267 0.449 19942 1517 1 3 . 1 1 86 86 THR CB C 86 70.636 70.636 70.971 -0.335 19942 1518 1 3 . 1 1 86 86 THR H H 86 8.922 8.922 8.273 0.649 19942 1519 1 3 . 1 1 87 87 ILE N N 87 125.857 125.857 122.709 3.148 19942 1520 1 3 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.216 0.326 19942 1521 1 3 . 1 1 87 87 ILE C C 87 175.495 175.495 174.295 1.200 19942 1522 1 3 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.758 0.485 19942 1523 1 3 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.930 0.493 19942 1524 1 3 . 1 1 87 87 ILE H H 87 8.020 8.020 8.360 -0.340 19942 1525 1 3 . 1 1 88 88 LEU N N 88 129.304 129.304 129.495 -0.191 19942 1526 1 3 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.786 -0.103 19942 1527 1 3 . 1 1 88 88 LEU C C 88 174.979 174.979 174.822 0.157 19942 1528 1 3 . 1 1 88 88 LEU CA C 88 53.738 53.738 54.151 -0.413 19942 1529 1 3 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.604 0.032 19942 1530 1 3 . 1 1 88 88 LEU H H 88 8.797 8.797 8.175 0.622 19942 1531 1 3 . 1 1 89 89 THR N N 89 117.751 117.751 121.430 -3.679 19942 1532 1 3 . 1 1 89 89 THR HA H 89 4.749 4.749 4.596 0.153 19942 1533 1 3 . 1 1 89 89 THR C C 89 173.269 173.269 173.589 -0.320 19942 1534 1 3 . 1 1 89 89 THR CA C 89 62.794 62.794 61.669 1.125 19942 1535 1 3 . 1 1 89 89 THR CB C 89 70.202 70.202 71.092 -0.890 19942 1536 1 3 . 1 1 89 89 THR H H 89 7.882 7.882 8.213 -0.331 19942 1537 1 3 . 1 1 90 90 VAL N N 90 127.485 127.485 126.113 1.372 19942 1538 1 3 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.091 0.746 19942 1539 1 3 . 1 1 90 90 VAL C C 90 176.460 176.460 174.550 1.910 19942 1540 1 3 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.733 -2.322 19942 1541 1 3 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.950 -0.290 19942 1542 1 3 . 1 1 90 90 VAL H H 90 9.139 9.139 8.285 0.854 19942 1543 1 3 . 1 1 91 91 ASN N N 91 126.674 126.674 126.112 0.562 19942 1544 1 3 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.864 -0.025 19942 1545 1 3 . 1 1 91 91 ASN C C 91 174.311 174.311 173.649 0.662 19942 1546 1 3 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.620 1.159 19942 1547 1 3 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.999 -1.222 19942 1548 1 3 . 1 1 91 91 ASN H H 91 8.992 8.992 8.381 0.611 19942 1549 1 3 . 1 1 92 92 LYS N N 92 122.622 122.622 123.123 -0.501 19942 1550 1 3 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.572 -0.154 19942 1551 1 3 . 1 1 92 92 LYS C C 92 176.757 176.757 176.320 0.437 19942 1552 1 3 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.476 -0.006 19942 1553 1 3 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.440 -0.138 19942 1554 1 3 . 1 1 92 92 LYS H H 92 8.556 8.556 8.443 0.113 19942 1555 1 3 . 1 1 93 93 THR N N 93 119.358 119.358 118.443 0.915 19942 1556 1 3 . 1 1 93 93 THR HA H 93 4.315 4.315 4.519 -0.204 19942 1557 1 3 . 1 1 93 93 THR C C 93 174.018 174.018 174.195 -0.177 19942 1558 1 3 . 1 1 93 93 THR CA C 93 62.060 62.060 61.784 0.276 19942 1559 1 3 . 1 1 93 93 THR CB C 93 69.715 69.715 70.072 -0.357 19942 1560 1 3 . 1 1 93 93 THR H H 93 8.439 8.439 9.128 -0.689 19942 1561 1 3 . 1 1 94 94 ASP N N 94 124.142 124.142 124.064 0.078 19942 1562 1 3 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.669 -0.004 19942 1563 1 3 . 1 1 94 94 ASP C C 94 175.464 175.464 175.926 -0.462 19942 1564 1 3 . 1 1 94 94 ASP CA C 94 54.515 54.515 54.527 -0.012 19942 1565 1 3 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.639 0.478 19942 1566 1 3 . 1 1 94 94 ASP H H 94 8.583 8.583 8.821 -0.238 19942 1567 1 4 . 1 1 3 3 ALA N N 3 123.810 123.810 120.490 3.320 19942 1568 1 4 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.315 -0.106 19942 1569 1 4 . 1 1 3 3 ALA C C 3 177.476 177.476 177.463 0.013 19942 1570 1 4 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.737 0.713 19942 1571 1 4 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.715 -0.198 19942 1572 1 4 . 1 1 3 3 ALA H H 3 8.387 8.387 7.792 0.595 19942 1573 1 4 . 1 1 4 4 THR N N 4 113.060 113.060 113.573 -0.513 19942 1574 1 4 . 1 1 4 4 THR HA H 4 4.621 4.621 4.602 0.019 19942 1575 1 4 . 1 1 4 4 THR C C 4 174.426 174.426 174.042 0.384 19942 1576 1 4 . 1 1 4 4 THR CA C 4 60.020 60.020 59.903 0.117 19942 1577 1 4 . 1 1 4 4 THR CB C 4 71.041 71.041 71.100 -0.060 19942 1578 1 4 . 1 1 4 4 THR H H 4 8.593 8.593 8.087 0.506 19942 1579 1 4 . 1 1 5 5 LEU N N 5 125.889 125.889 122.038 3.851 19942 1580 1 4 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.214 -0.778 19942 1581 1 4 . 1 1 5 5 LEU C C 5 175.432 175.432 176.225 -0.793 19942 1582 1 4 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.693 1.498 19942 1583 1 4 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.523 -1.264 19942 1584 1 4 . 1 1 5 5 LEU H H 5 8.888 8.888 8.360 0.528 19942 1585 1 4 . 1 1 6 6 SER N N 6 123.564 123.564 122.877 0.687 19942 1586 1 4 . 1 1 6 6 SER HA H 6 4.574 4.574 4.394 0.180 19942 1587 1 4 . 1 1 6 6 SER C C 6 174.217 174.217 174.818 -0.601 19942 1588 1 4 . 1 1 6 6 SER CA C 6 59.688 59.688 60.249 -0.561 19942 1589 1 4 . 1 1 6 6 SER CB C 6 64.300 64.300 64.098 0.202 19942 1590 1 4 . 1 1 6 6 SER H H 6 9.155 9.155 8.939 0.216 19942 1591 1 4 . 1 1 7 7 SER N N 7 112.212 112.212 110.763 1.449 19942 1592 1 4 . 1 1 7 7 SER HA H 7 4.499 4.499 4.712 -0.213 19942 1593 1 4 . 1 1 7 7 SER C C 7 171.592 171.592 172.096 -0.504 19942 1594 1 4 . 1 1 7 7 SER CA C 7 57.676 57.676 57.606 0.070 19942 1595 1 4 . 1 1 7 7 SER CB C 7 64.795 64.795 65.052 -0.257 19942 1596 1 4 . 1 1 7 7 SER H H 7 7.913 7.913 7.650 0.263 19942 1597 1 4 . 1 1 8 8 ILE N N 8 120.132 120.132 116.711 3.421 19942 1598 1 4 . 1 1 8 8 ILE HA H 8 4.661 4.661 5.024 -0.363 19942 1599 1 4 . 1 1 8 8 ILE C C 8 174.094 174.094 175.119 -1.025 19942 1600 1 4 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.602 0.715 19942 1601 1 4 . 1 1 8 8 ILE CB C 8 42.926 42.926 41.029 1.897 19942 1602 1 4 . 1 1 8 8 ILE H H 8 8.628 8.628 8.111 0.517 19942 1603 1 4 . 1 1 9 9 SER N N 9 120.939 120.939 120.128 0.811 19942 1604 1 4 . 1 1 9 9 SER HA H 9 4.907 4.907 4.844 0.063 19942 1605 1 4 . 1 1 9 9 SER C C 9 173.176 173.176 173.146 0.030 19942 1606 1 4 . 1 1 9 9 SER CA C 9 56.291 56.291 56.769 -0.478 19942 1607 1 4 . 1 1 9 9 SER CB C 9 65.325 65.325 66.488 -1.163 19942 1608 1 4 . 1 1 9 9 SER H H 9 8.761 8.761 8.993 -0.232 19942 1609 1 4 . 1 1 10 10 ILE N N 10 126.047 126.047 122.628 3.419 19942 1610 1 4 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.573 0.904 19942 1611 1 4 . 1 1 10 10 ILE C C 10 175.259 175.259 176.444 -1.185 19942 1612 1 4 . 1 1 10 10 ILE CA C 10 59.092 59.092 58.913 0.179 19942 1613 1 4 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.019 1.823 19942 1614 1 4 . 1 1 10 10 ILE H H 10 8.852 8.852 8.493 0.359 19942 1615 1 4 . 1 1 11 11 SER N N 11 122.938 122.938 123.227 -0.289 19942 1616 1 4 . 1 1 11 11 SER HA H 11 4.704 4.704 4.988 -0.284 19942 1617 1 4 . 1 1 11 11 SER C C 11 170.288 170.288 173.512 -3.224 19942 1618 1 4 . 1 1 11 11 SER CA C 11 55.401 55.401 56.746 -1.345 19942 1619 1 4 . 1 1 11 11 SER CB C 11 65.248 65.248 64.737 0.511 19942 1620 1 4 . 1 1 11 11 SER H H 11 9.108 9.108 8.935 0.173 19942 1621 1 4 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.436 0.261 19942 1622 1 4 . 1 1 12 12 PRO C C 12 175.467 175.467 175.906 -0.439 19942 1623 1 4 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.725 -2.269 19942 1624 1 4 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.031 2.876 19942 1625 1 4 . 1 1 13 13 ILE N N 13 118.003 118.003 119.869 -1.866 19942 1626 1 4 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.145 0.206 19942 1627 1 4 . 1 1 13 13 ILE C C 13 176.535 176.535 176.662 -0.127 19942 1628 1 4 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.474 0.618 19942 1629 1 4 . 1 1 13 13 ILE CB C 13 39.233 39.233 37.839 1.394 19942 1630 1 4 . 1 1 13 13 ILE H H 13 8.233 8.233 8.422 -0.189 19942 1631 1 4 . 1 1 14 14 ASN N N 14 122.727 122.727 125.316 -2.589 19942 1632 1 4 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.476 0.300 19942 1633 1 4 . 1 1 14 14 ASN C C 14 175.286 175.286 174.268 1.018 19942 1634 1 4 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.464 -1.878 19942 1635 1 4 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.524 -1.028 19942 1636 1 4 . 1 1 14 14 ASN H H 14 8.501 8.501 8.545 -0.044 19942 1637 1 4 . 1 1 15 15 THR N N 15 114.899 114.899 112.505 2.394 19942 1638 1 4 . 1 1 15 15 THR HA H 15 4.587 4.587 4.515 0.072 19942 1639 1 4 . 1 1 15 15 THR C C 15 173.339 173.339 172.511 0.828 19942 1640 1 4 . 1 1 15 15 THR CA C 15 61.059 61.059 61.630 -0.571 19942 1641 1 4 . 1 1 15 15 THR CB C 15 69.683 69.683 70.247 -0.564 19942 1642 1 4 . 1 1 15 15 THR H H 15 8.878 8.878 8.238 0.640 19942 1643 1 4 . 1 1 16 16 ASN N N 16 119.994 119.994 123.759 -3.765 19942 1644 1 4 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.732 0.082 19942 1645 1 4 . 1 1 16 16 ASN C C 16 173.995 173.995 173.212 0.783 19942 1646 1 4 . 1 1 16 16 ASN CA C 16 52.386 52.386 53.226 -0.840 19942 1647 1 4 . 1 1 16 16 ASN CB C 16 41.379 41.379 43.168 -1.789 19942 1648 1 4 . 1 1 16 16 ASN H H 16 8.293 8.293 8.301 -0.008 19942 1649 1 4 . 1 1 17 17 ILE N N 17 118.356 118.356 121.156 -2.800 19942 1650 1 4 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.336 0.387 19942 1651 1 4 . 1 1 17 17 ILE C C 17 173.556 173.556 174.312 -0.756 19942 1652 1 4 . 1 1 17 17 ILE CA C 17 59.491 59.491 59.597 -0.106 19942 1653 1 4 . 1 1 17 17 ILE CB C 17 42.437 42.437 42.283 0.154 19942 1654 1 4 . 1 1 17 17 ILE H H 17 8.962 8.962 8.100 0.862 19942 1655 1 4 . 1 1 18 18 ASN N N 18 122.798 122.798 121.947 0.851 19942 1656 1 4 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.979 0.560 19942 1657 1 4 . 1 1 18 18 ASN C C 18 176.607 176.607 175.273 1.334 19942 1658 1 4 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.670 -0.378 19942 1659 1 4 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.987 -0.644 19942 1660 1 4 . 1 1 18 18 ASN H H 18 8.404 8.404 8.463 -0.059 19942 1661 1 4 . 1 1 19 19 THR C C 19 175.737 175.737 175.067 0.670 19942 1662 1 4 . 1 1 19 19 THR CA C 19 62.695 62.695 63.240 -0.545 19942 1663 1 4 . 1 1 19 19 THR CB C 19 68.758 68.758 68.931 -0.173 19942 1664 1 4 . 1 1 20 20 THR N N 20 113.750 113.750 115.256 -1.506 19942 1665 1 4 . 1 1 20 20 THR HA H 20 4.281 4.281 3.873 0.408 19942 1666 1 4 . 1 1 20 20 THR C C 20 173.630 173.630 173.532 0.098 19942 1667 1 4 . 1 1 20 20 THR CA C 20 64.559 64.559 63.719 0.840 19942 1668 1 4 . 1 1 20 20 THR CB C 20 69.925 69.925 67.009 2.916 19942 1669 1 4 . 1 1 20 20 THR H H 20 8.400 8.400 8.602 -0.202 19942 1670 1 4 . 1 1 21 21 VAL N N 21 124.237 124.237 119.972 4.265 19942 1671 1 4 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.245 0.003 19942 1672 1 4 . 1 1 21 21 VAL C C 21 175.464 175.464 174.501 0.963 19942 1673 1 4 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.912 1.361 19942 1674 1 4 . 1 1 21 21 VAL H H 21 7.953 7.953 7.472 0.481 19942 1675 1 4 . 1 1 22 22 SER HA H 22 5.542 5.542 4.873 0.669 19942 1676 1 4 . 1 1 22 22 SER C C 22 173.145 173.145 173.527 -0.382 19942 1677 1 4 . 1 1 22 22 SER CA C 22 58.153 58.153 57.215 0.938 19942 1678 1 4 . 1 1 22 22 SER CB C 22 64.768 64.768 63.915 0.853 19942 1679 1 4 . 1 1 23 23 LYS N N 23 124.177 124.177 126.794 -2.617 19942 1680 1 4 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.484 0.026 19942 1681 1 4 . 1 1 23 23 LYS C C 23 173.847 173.847 174.030 -0.183 19942 1682 1 4 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.330 -0.379 19942 1683 1 4 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.194 1.722 19942 1684 1 4 . 1 1 23 23 LYS H H 23 9.372 9.372 7.964 1.408 19942 1685 1 4 . 1 1 24 24 GLN N N 24 128.777 128.777 125.347 3.430 19942 1686 1 4 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.335 -0.651 19942 1687 1 4 . 1 1 24 24 GLN C C 24 173.229 173.229 174.073 -0.844 19942 1688 1 4 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.119 2.009 19942 1689 1 4 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.191 -1.673 19942 1690 1 4 . 1 1 24 24 GLN H H 24 8.742 8.742 8.273 0.469 19942 1691 1 4 . 1 1 25 25 PHE N N 25 128.481 128.481 118.802 9.679 19942 1692 1 4 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.544 0.461 19942 1693 1 4 . 1 1 25 25 PHE C C 25 174.268 174.268 173.342 0.926 19942 1694 1 4 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.644 1.714 19942 1695 1 4 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.280 0.553 19942 1696 1 4 . 1 1 25 25 PHE H H 25 7.728 7.728 6.423 1.305 19942 1697 1 4 . 1 1 26 26 PHE N N 26 114.641 114.641 118.183 -3.542 19942 1698 1 4 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.160 0.367 19942 1699 1 4 . 1 1 26 26 PHE C C 26 175.679 175.679 175.198 0.481 19942 1700 1 4 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.767 0.384 19942 1701 1 4 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.556 0.181 19942 1702 1 4 . 1 1 26 26 PHE H H 26 9.354 9.354 8.027 1.327 19942 1703 1 4 . 1 1 27 27 ALA N N 27 123.352 123.352 123.283 0.069 19942 1704 1 4 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.242 -0.037 19942 1705 1 4 . 1 1 27 27 ALA C C 27 174.966 174.966 175.516 -0.550 19942 1706 1 4 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.660 -0.714 19942 1707 1 4 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.875 0.015 19942 1708 1 4 . 1 1 27 27 ALA H H 27 8.935 8.935 9.627 -0.692 19942 1709 1 4 . 1 1 28 28 VAL N N 28 122.875 122.875 124.157 -1.282 19942 1710 1 4 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.696 -0.029 19942 1711 1 4 . 1 1 28 28 VAL C C 28 177.371 177.371 175.292 2.079 19942 1712 1 4 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.587 0.627 19942 1713 1 4 . 1 1 28 28 VAL CB C 28 34.295 34.295 33.929 0.366 19942 1714 1 4 . 1 1 28 28 VAL H H 28 8.933 8.933 8.795 0.138 19942 1715 1 4 . 1 1 29 29 GLY N N 29 118.628 118.628 114.785 3.843 19942 1716 1 4 . 1 1 29 29 GLY C C 29 171.637 171.637 172.254 -0.617 19942 1717 1 4 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.344 1.712 19942 1718 1 4 . 1 1 29 29 GLY H H 29 9.852 9.852 8.607 1.245 19942 1719 1 4 . 1 1 30 30 THR N N 30 119.749 119.749 121.178 -1.429 19942 1720 1 4 . 1 1 30 30 THR HA H 30 5.033 5.033 5.227 -0.194 19942 1721 1 4 . 1 1 30 30 THR C C 30 173.854 173.854 173.843 0.011 19942 1722 1 4 . 1 1 30 30 THR CA C 30 62.384 62.384 61.542 0.842 19942 1723 1 4 . 1 1 30 30 THR CB C 30 69.631 69.631 70.949 -1.318 19942 1724 1 4 . 1 1 30 30 THR H H 30 8.632 8.632 8.522 0.110 19942 1725 1 4 . 1 1 31 31 TYR N N 31 126.778 126.778 127.332 -0.554 19942 1726 1 4 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.927 0.092 19942 1727 1 4 . 1 1 31 31 TYR C C 31 179.438 179.438 178.082 1.356 19942 1728 1 4 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.332 -0.320 19942 1729 1 4 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.440 1.430 19942 1730 1 4 . 1 1 31 31 TYR H H 31 9.411 9.411 9.102 0.309 19942 1731 1 4 . 1 1 32 32 SER N N 32 118.249 118.249 118.100 0.149 19942 1732 1 4 . 1 1 32 32 SER HA H 32 4.112 4.112 4.283 -0.171 19942 1733 1 4 . 1 1 32 32 SER C C 32 174.175 174.175 175.213 -1.038 19942 1734 1 4 . 1 1 32 32 SER CA C 32 61.407 61.407 60.820 0.587 19942 1735 1 4 . 1 1 32 32 SER CB C 32 62.779 62.779 62.782 -0.003 19942 1736 1 4 . 1 1 32 32 SER H H 32 9.767 9.767 9.048 0.719 19942 1737 1 4 . 1 1 33 33 ASP N N 33 119.614 119.614 120.252 -0.638 19942 1738 1 4 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.728 0.006 19942 1739 1 4 . 1 1 33 33 ASP C C 33 177.097 177.097 177.203 -0.106 19942 1740 1 4 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.194 -1.518 19942 1741 1 4 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.195 0.326 19942 1742 1 4 . 1 1 33 33 ASP H H 33 7.702 7.702 8.046 -0.344 19942 1743 1 4 . 1 1 34 34 GLY N N 34 108.749 108.749 107.148 1.601 19942 1744 1 4 . 1 1 34 34 GLY C C 34 174.828 174.828 174.600 0.228 19942 1745 1 4 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.602 -0.309 19942 1746 1 4 . 1 1 34 34 GLY H H 34 8.420 8.420 8.420 0.000 19942 1747 1 4 . 1 1 35 35 THR N N 35 113.544 113.544 116.723 -3.179 19942 1748 1 4 . 1 1 35 35 THR HA H 35 4.297 4.297 4.444 -0.147 19942 1749 1 4 . 1 1 35 35 THR C C 35 173.074 173.074 173.499 -0.425 19942 1750 1 4 . 1 1 35 35 THR CA C 35 62.762 62.762 62.366 0.396 19942 1751 1 4 . 1 1 35 35 THR CB C 35 71.079 71.079 70.171 0.908 19942 1752 1 4 . 1 1 35 35 THR H H 35 7.863 7.863 7.792 0.071 19942 1753 1 4 . 1 1 36 36 LYS N N 36 118.248 118.248 122.052 -3.804 19942 1754 1 4 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.482 0.445 19942 1755 1 4 . 1 1 36 36 LYS C C 36 176.847 176.847 175.264 1.583 19942 1756 1 4 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.002 -0.471 19942 1757 1 4 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.444 0.479 19942 1758 1 4 . 1 1 36 36 LYS H H 36 8.374 8.374 8.430 -0.056 19942 1759 1 4 . 1 1 37 37 ALA N N 37 121.621 121.621 124.356 -2.735 19942 1760 1 4 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.575 0.093 19942 1761 1 4 . 1 1 37 37 ALA C C 37 175.556 175.556 174.576 0.980 19942 1762 1 4 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.801 -0.424 19942 1763 1 4 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.835 1.702 19942 1764 1 4 . 1 1 37 37 ALA H H 37 8.892 8.892 8.451 0.441 19942 1765 1 4 . 1 1 38 38 ASP N N 38 121.602 121.602 121.269 0.333 19942 1766 1 4 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.968 -0.108 19942 1767 1 4 . 1 1 38 38 ASP C C 38 176.487 176.487 176.670 -0.183 19942 1768 1 4 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.463 0.771 19942 1769 1 4 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.136 -0.361 19942 1770 1 4 . 1 1 38 38 ASP H H 38 8.983 8.983 8.542 0.441 19942 1771 1 4 . 1 1 39 39 LEU N N 39 128.342 128.342 126.382 1.960 19942 1772 1 4 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.644 0.217 19942 1773 1 4 . 1 1 39 39 LEU C C 39 177.565 177.565 177.562 0.003 19942 1774 1 4 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.203 -0.613 19942 1775 1 4 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.426 2.507 19942 1776 1 4 . 1 1 39 39 LEU H H 39 9.218 9.218 8.581 0.637 19942 1777 1 4 . 1 1 40 40 THR N N 40 122.567 122.567 117.234 5.333 19942 1778 1 4 . 1 1 40 40 THR HA H 40 4.526 4.526 4.412 0.114 19942 1779 1 4 . 1 1 40 40 THR C C 40 174.562 174.562 176.185 -1.623 19942 1780 1 4 . 1 1 40 40 THR CA C 40 69.870 69.870 67.925 1.945 19942 1781 1 4 . 1 1 40 40 THR CB C 40 69.268 69.268 68.814 0.454 19942 1782 1 4 . 1 1 40 40 THR H H 40 8.983 8.983 8.810 0.173 19942 1783 1 4 . 1 1 41 41 SER N N 41 109.895 109.895 114.384 -4.489 19942 1784 1 4 . 1 1 41 41 SER HA H 41 4.465 4.465 4.600 -0.135 19942 1785 1 4 . 1 1 41 41 SER C C 41 174.686 174.686 174.995 -0.309 19942 1786 1 4 . 1 1 41 41 SER CA C 41 59.960 59.960 60.393 -0.433 19942 1787 1 4 . 1 1 41 41 SER CB C 41 63.643 63.643 62.916 0.727 19942 1788 1 4 . 1 1 41 41 SER H H 41 8.749 8.749 8.650 0.099 19942 1789 1 4 . 1 1 42 42 SER N N 42 117.037 117.037 117.285 -0.248 19942 1790 1 4 . 1 1 42 42 SER HA H 42 4.706 4.706 4.857 -0.151 19942 1791 1 4 . 1 1 42 42 SER C C 42 175.240 175.240 175.339 -0.099 19942 1792 1 4 . 1 1 42 42 SER CA C 42 59.742 59.742 58.806 0.936 19942 1793 1 4 . 1 1 42 42 SER CB C 42 64.724 64.724 64.680 0.044 19942 1794 1 4 . 1 1 42 42 SER H H 42 8.056 8.056 7.944 0.112 19942 1795 1 4 . 1 1 43 43 VAL N N 43 113.914 113.914 118.969 -5.055 19942 1796 1 4 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.816 -0.504 19942 1797 1 4 . 1 1 43 43 VAL C C 43 174.501 174.501 174.929 -0.428 19942 1798 1 4 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.484 0.588 19942 1799 1 4 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.775 -0.377 19942 1800 1 4 . 1 1 43 43 VAL H H 43 7.498 7.498 8.165 -0.667 19942 1801 1 4 . 1 1 44 44 THR N N 44 116.194 116.194 120.432 -4.238 19942 1802 1 4 . 1 1 44 44 THR HA H 44 4.515 4.515 4.728 -0.213 19942 1803 1 4 . 1 1 44 44 THR C C 44 175.110 175.110 173.961 1.149 19942 1804 1 4 . 1 1 44 44 THR CA C 44 62.468 62.468 62.279 0.189 19942 1805 1 4 . 1 1 44 44 THR CB C 44 69.914 69.914 70.301 -0.387 19942 1806 1 4 . 1 1 44 44 THR H H 44 9.020 9.020 8.320 0.700 19942 1807 1 4 . 1 1 45 45 TRP N N 45 133.716 133.716 128.905 4.811 19942 1808 1 4 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.863 0.521 19942 1809 1 4 . 1 1 45 45 TRP C C 45 176.565 176.565 176.304 0.261 19942 1810 1 4 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.508 0.226 19942 1811 1 4 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.732 0.763 19942 1812 1 4 . 1 1 45 45 TRP H H 45 9.667 9.667 8.864 0.803 19942 1813 1 4 . 1 1 46 46 SER N N 46 117.142 117.142 117.803 -0.661 19942 1814 1 4 . 1 1 46 46 SER HA H 46 4.620 4.620 4.822 -0.202 19942 1815 1 4 . 1 1 46 46 SER C C 46 171.333 171.333 172.671 -1.338 19942 1816 1 4 . 1 1 46 46 SER CA C 46 58.013 58.013 57.308 0.705 19942 1817 1 4 . 1 1 46 46 SER CB C 46 65.605 65.605 65.891 -0.286 19942 1818 1 4 . 1 1 46 46 SER H H 46 10.001 10.001 8.357 1.644 19942 1819 1 4 . 1 1 47 47 SER N N 47 112.791 112.791 116.920 -4.129 19942 1820 1 4 . 1 1 47 47 SER HA H 47 5.530 5.530 5.281 0.249 19942 1821 1 4 . 1 1 47 47 SER C C 47 176.141 176.141 175.013 1.128 19942 1822 1 4 . 1 1 47 47 SER CA C 47 53.591 53.591 55.889 -2.298 19942 1823 1 4 . 1 1 47 47 SER CB C 47 66.167 66.167 65.905 0.262 19942 1824 1 4 . 1 1 47 47 SER H H 47 8.594 8.594 8.534 0.060 19942 1825 1 4 . 1 1 48 48 SER N N 48 122.562 122.562 118.380 4.182 19942 1826 1 4 . 1 1 48 48 SER HA H 48 4.289 4.289 4.300 -0.011 19942 1827 1 4 . 1 1 48 48 SER C C 48 174.767 174.767 175.954 -1.187 19942 1828 1 4 . 1 1 48 48 SER CA C 48 60.419 60.419 61.038 -0.619 19942 1829 1 4 . 1 1 48 48 SER CB C 48 62.630 62.630 63.474 -0.844 19942 1830 1 4 . 1 1 48 48 SER H H 48 9.685 9.685 8.458 1.227 19942 1831 1 4 . 1 1 49 49 ASN N N 49 118.253 118.253 122.464 -4.211 19942 1832 1 4 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.666 0.067 19942 1833 1 4 . 1 1 49 49 ASN C C 49 175.845 175.845 175.358 0.487 19942 1834 1 4 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.354 0.212 19942 1835 1 4 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.558 0.526 19942 1836 1 4 . 1 1 49 49 ASN H H 49 8.006 8.006 7.934 0.072 19942 1837 1 4 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.239 0.305 19942 1838 1 4 . 1 1 50 50 GLN C C 50 175.944 175.944 176.919 -0.975 19942 1839 1 4 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.510 -1.048 19942 1840 1 4 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.963 -0.050 19942 1841 1 4 . 1 1 51 51 SER N N 51 113.229 113.229 113.296 -0.067 19942 1842 1 4 . 1 1 51 51 SER HA H 51 4.302 4.302 4.359 -0.057 19942 1843 1 4 . 1 1 51 51 SER C C 51 173.524 173.524 175.443 -1.919 19942 1844 1 4 . 1 1 51 51 SER CA C 51 59.973 59.973 60.625 -0.652 19942 1845 1 4 . 1 1 51 51 SER CB C 51 62.832 62.832 63.581 -0.749 19942 1846 1 4 . 1 1 51 51 SER H H 51 8.205 8.205 8.452 -0.247 19942 1847 1 4 . 1 1 52 52 GLN N N 52 116.510 116.510 117.881 -1.371 19942 1848 1 4 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.433 0.125 19942 1849 1 4 . 1 1 52 52 GLN C C 52 176.697 176.697 174.167 2.530 19942 1850 1 4 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.965 0.151 19942 1851 1 4 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.376 0.208 19942 1852 1 4 . 1 1 52 52 GLN H H 52 7.277 7.277 8.279 -1.002 19942 1853 1 4 . 1 1 53 53 ALA N N 53 119.325 119.325 118.581 0.744 19942 1854 1 4 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.655 0.253 19942 1855 1 4 . 1 1 53 53 ALA C C 53 174.225 174.225 174.689 -0.464 19942 1856 1 4 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.732 0.646 19942 1857 1 4 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.070 0.026 19942 1858 1 4 . 1 1 53 53 ALA H H 53 8.150 8.150 7.675 0.475 19942 1859 1 4 . 1 1 54 54 LYS N N 54 120.764 120.764 119.950 0.814 19942 1860 1 4 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.858 0.051 19942 1861 1 4 . 1 1 54 54 LYS C C 54 173.892 173.892 174.412 -0.520 19942 1862 1 4 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.231 -1.469 19942 1863 1 4 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.191 -0.082 19942 1864 1 4 . 1 1 54 54 LYS H H 54 8.397 8.397 8.084 0.313 19942 1865 1 4 . 1 1 55 55 VAL N N 55 118.409 118.409 124.534 -6.125 19942 1866 1 4 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.451 0.482 19942 1867 1 4 . 1 1 55 55 VAL C C 55 172.770 172.770 174.937 -2.167 19942 1868 1 4 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.241 -3.171 19942 1869 1 4 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.487 2.387 19942 1870 1 4 . 1 1 55 55 VAL H H 55 8.748 8.748 8.592 0.156 19942 1871 1 4 . 1 1 56 56 SER N N 56 119.976 119.976 125.078 -5.102 19942 1872 1 4 . 1 1 56 56 SER HA H 56 4.364 4.364 4.790 -0.426 19942 1873 1 4 . 1 1 56 56 SER C C 56 174.635 174.635 172.877 1.758 19942 1874 1 4 . 1 1 56 56 SER CA C 56 57.399 57.399 57.801 -0.402 19942 1875 1 4 . 1 1 56 56 SER CB C 56 63.633 63.633 64.688 -1.055 19942 1876 1 4 . 1 1 56 56 SER H H 56 7.851 7.851 8.566 -0.715 19942 1877 1 4 . 1 1 57 57 ASN N N 57 124.627 124.627 122.573 2.054 19942 1878 1 4 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.977 0.280 19942 1879 1 4 . 1 1 57 57 ASN C C 57 174.450 174.450 174.183 0.267 19942 1880 1 4 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.432 0.956 19942 1881 1 4 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.830 1.700 19942 1882 1 4 . 1 1 57 57 ASN H H 57 9.190 9.190 8.398 0.792 19942 1883 1 4 . 1 1 58 58 ALA N N 58 127.007 127.007 124.605 2.402 19942 1884 1 4 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.622 -0.284 19942 1885 1 4 . 1 1 58 58 ALA C C 58 178.628 178.628 177.957 0.671 19942 1886 1 4 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.286 0.942 19942 1887 1 4 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.296 -1.386 19942 1888 1 4 . 1 1 58 58 ALA H H 58 8.121 8.121 8.497 -0.376 19942 1889 1 4 . 1 1 59 59 SER N N 59 116.407 116.407 112.856 3.551 19942 1890 1 4 . 1 1 59 59 SER HA H 59 4.888 4.888 4.219 0.669 19942 1891 1 4 . 1 1 59 59 SER C C 59 176.729 176.729 175.461 1.268 19942 1892 1 4 . 1 1 59 59 SER CA C 59 62.500 62.500 60.916 1.584 19942 1893 1 4 . 1 1 59 59 SER CB C 59 63.113 63.113 63.268 -0.155 19942 1894 1 4 . 1 1 59 59 SER H H 59 8.767 8.767 8.632 0.135 19942 1895 1 4 . 1 1 60 60 GLU N N 60 117.093 117.093 117.764 -0.671 19942 1896 1 4 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.380 -0.148 19942 1897 1 4 . 1 1 60 60 GLU C C 60 177.467 177.467 177.150 0.317 19942 1898 1 4 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.409 1.307 19942 1899 1 4 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.579 0.032 19942 1900 1 4 . 1 1 60 60 GLU H H 60 9.190 9.190 8.530 0.660 19942 1901 1 4 . 1 1 61 61 THR N N 61 107.270 107.270 109.136 -1.866 19942 1902 1 4 . 1 1 61 61 THR HA H 61 4.820 4.820 4.441 0.379 19942 1903 1 4 . 1 1 61 61 THR C C 61 173.068 173.068 174.890 -1.822 19942 1904 1 4 . 1 1 61 61 THR CA C 61 59.191 59.191 60.870 -1.679 19942 1905 1 4 . 1 1 61 61 THR CB C 61 69.219 69.219 69.971 -0.752 19942 1906 1 4 . 1 1 61 61 THR H H 61 7.369 7.369 7.686 -0.317 19942 1907 1 4 . 1 1 62 62 LYS N N 62 122.917 122.917 123.637 -0.720 19942 1908 1 4 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.080 -0.394 19942 1909 1 4 . 1 1 62 62 LYS C C 62 178.225 178.225 176.724 1.501 19942 1910 1 4 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.247 -0.126 19942 1911 1 4 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.476 0.814 19942 1912 1 4 . 1 1 62 62 LYS H H 62 6.924 6.924 7.749 -0.825 19942 1913 1 4 . 1 1 63 63 GLY N N 63 111.784 111.784 108.899 2.885 19942 1914 1 4 . 1 1 63 63 GLY C C 63 171.831 171.831 171.961 -0.130 19942 1915 1 4 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.193 0.162 19942 1916 1 4 . 1 1 63 63 GLY H H 63 7.966 7.966 8.491 -0.525 19942 1917 1 4 . 1 1 64 64 LEU N N 64 120.854 120.854 120.523 0.331 19942 1918 1 4 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.334 -0.274 19942 1919 1 4 . 1 1 64 64 LEU C C 64 176.666 176.666 173.952 2.714 19942 1920 1 4 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.456 2.107 19942 1921 1 4 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.008 -0.935 19942 1922 1 4 . 1 1 64 64 LEU H H 64 7.785 7.785 7.411 0.374 19942 1923 1 4 . 1 1 65 65 VAL N N 65 135.184 135.184 125.569 9.615 19942 1924 1 4 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.413 0.223 19942 1925 1 4 . 1 1 65 65 VAL C C 65 174.956 174.956 174.504 0.452 19942 1926 1 4 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.824 0.499 19942 1927 1 4 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.409 -2.413 19942 1928 1 4 . 1 1 65 65 VAL H H 65 8.973 8.973 7.694 1.278 19942 1929 1 4 . 1 1 66 66 THR N N 66 121.955 121.955 122.253 -0.298 19942 1930 1 4 . 1 1 66 66 THR HA H 66 4.774 4.774 4.639 0.135 19942 1931 1 4 . 1 1 66 66 THR C C 66 174.266 174.266 173.335 0.931 19942 1932 1 4 . 1 1 66 66 THR CA C 66 61.225 61.225 61.656 -0.431 19942 1933 1 4 . 1 1 66 66 THR CB C 66 71.190 71.190 70.790 0.400 19942 1934 1 4 . 1 1 66 66 THR H H 66 8.947 8.947 8.124 0.823 19942 1935 1 4 . 1 1 67 67 GLY N N 67 114.304 114.304 113.429 0.875 19942 1936 1 4 . 1 1 67 67 GLY C C 67 172.326 172.326 173.924 -1.598 19942 1937 1 4 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.862 2.369 19942 1938 1 4 . 1 1 67 67 GLY H H 67 9.201 9.201 8.138 1.063 19942 1939 1 4 . 1 1 68 68 ILE N N 68 126.492 126.492 124.674 1.818 19942 1940 1 4 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.862 0.261 19942 1941 1 4 . 1 1 68 68 ILE C C 68 175.021 175.021 175.043 -0.022 19942 1942 1 4 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.874 -2.266 19942 1943 1 4 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.498 0.656 19942 1944 1 4 . 1 1 68 68 ILE H H 68 8.927 8.927 7.857 1.070 19942 1945 1 4 . 1 1 69 69 ALA N N 69 122.378 122.378 117.793 4.585 19942 1946 1 4 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.466 -0.071 19942 1947 1 4 . 1 1 69 69 ALA C C 69 174.111 174.111 175.157 -1.046 19942 1948 1 4 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.633 -0.774 19942 1949 1 4 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.091 1.966 19942 1950 1 4 . 1 1 69 69 ALA H H 69 8.413 8.413 7.425 0.988 19942 1951 1 4 . 1 1 70 70 SER N N 70 110.668 110.668 119.676 -9.008 19942 1952 1 4 . 1 1 70 70 SER HA H 70 4.013 4.013 4.555 -0.542 19942 1953 1 4 . 1 1 70 70 SER C C 70 174.180 174.180 173.312 0.868 19942 1954 1 4 . 1 1 70 70 SER CA C 70 58.620 58.620 57.380 1.240 19942 1955 1 4 . 1 1 70 70 SER CB C 70 64.114 64.114 65.091 -0.977 19942 1956 1 4 . 1 1 70 70 SER H H 70 8.109 8.109 7.962 0.147 19942 1957 1 4 . 1 1 71 71 GLY N N 71 108.506 108.506 107.211 1.295 19942 1958 1 4 . 1 1 71 71 GLY C C 71 170.868 170.868 173.050 -2.182 19942 1959 1 4 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.060 -0.717 19942 1960 1 4 . 1 1 71 71 GLY H H 71 8.055 8.055 8.838 -0.783 19942 1961 1 4 . 1 1 72 72 ASN N N 72 116.234 116.234 118.475 -2.241 19942 1962 1 4 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.474 -0.582 19942 1963 1 4 . 1 1 72 72 ASN C C 72 171.109 171.109 172.865 -1.756 19942 1964 1 4 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.422 -0.013 19942 1965 1 4 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.508 -0.535 19942 1966 1 4 . 1 1 72 72 ASN H H 72 8.238 8.238 8.372 -0.134 19942 1967 1 4 . 1 1 73 73 PRO C C 73 173.522 173.522 175.816 -2.294 19942 1968 1 4 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.524 0.798 19942 1969 1 4 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.163 -1.110 19942 1970 1 4 . 1 1 74 74 THR N N 74 115.192 115.192 118.336 -3.144 19942 1971 1 4 . 1 1 74 74 THR HA H 74 4.399 4.399 4.613 -0.214 19942 1972 1 4 . 1 1 74 74 THR C C 74 173.467 173.467 173.545 -0.078 19942 1973 1 4 . 1 1 74 74 THR CA C 74 61.852 61.852 62.424 -0.572 19942 1974 1 4 . 1 1 74 74 THR CB C 74 70.609 70.609 70.527 0.082 19942 1975 1 4 . 1 1 74 74 THR H H 74 8.775 8.775 8.049 0.726 19942 1976 1 4 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.850 0.033 19942 1977 1 4 . 1 1 75 75 ILE CA C 75 61.787 61.787 59.733 2.054 19942 1978 1 4 . 1 1 75 75 ILE CB C 75 36.867 36.867 39.616 -2.749 19942 1979 1 4 . 1 1 76 76 ILE N N 76 126.694 126.694 127.458 -0.764 19942 1980 1 4 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.614 0.061 19942 1981 1 4 . 1 1 76 76 ILE C C 76 173.870 173.870 174.334 -0.464 19942 1982 1 4 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.878 0.665 19942 1983 1 4 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.653 0.267 19942 1984 1 4 . 1 1 76 76 ILE H H 76 8.982 8.982 8.602 0.380 19942 1985 1 4 . 1 1 77 77 ALA N N 77 126.455 126.455 130.473 -4.018 19942 1986 1 4 . 1 1 77 77 ALA HA H 77 4.499 4.499 5.120 -0.621 19942 1987 1 4 . 1 1 77 77 ALA C C 77 175.857 175.857 176.107 -0.250 19942 1988 1 4 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.553 0.240 19942 1989 1 4 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.397 0.275 19942 1990 1 4 . 1 1 77 77 ALA H H 77 8.431 8.431 8.905 -0.474 19942 1991 1 4 . 1 1 78 78 THR N N 78 116.767 116.767 120.526 -3.759 19942 1992 1 4 . 1 1 78 78 THR HA H 78 4.849 4.849 4.579 0.270 19942 1993 1 4 . 1 1 78 78 THR C C 78 173.211 173.211 172.553 0.658 19942 1994 1 4 . 1 1 78 78 THR CA C 78 61.343 61.343 61.932 -0.589 19942 1995 1 4 . 1 1 78 78 THR CB C 78 71.627 71.627 71.002 0.625 19942 1996 1 4 . 1 1 78 78 THR H H 78 8.135 8.135 8.288 -0.153 19942 1997 1 4 . 1 1 79 79 TYR N N 79 127.950 127.950 128.620 -0.670 19942 1998 1 4 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.742 -0.113 19942 1999 1 4 . 1 1 79 79 TYR C C 79 174.921 174.921 174.991 -0.070 19942 2000 1 4 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.793 0.713 19942 2001 1 4 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.755 -0.184 19942 2002 1 4 . 1 1 79 79 TYR H H 79 9.136 9.136 8.753 0.383 19942 2003 1 4 . 1 1 80 80 GLY N N 80 118.393 118.393 116.014 2.379 19942 2004 1 4 . 1 1 80 80 GLY C C 80 174.902 174.902 174.276 0.626 19942 2005 1 4 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.235 0.634 19942 2006 1 4 . 1 1 80 80 GLY H H 80 8.786 8.786 8.052 0.734 19942 2007 1 4 . 1 1 81 81 SER N N 81 113.872 113.872 118.143 -4.271 19942 2008 1 4 . 1 1 81 81 SER HA H 81 4.348 4.348 4.549 -0.201 19942 2009 1 4 . 1 1 81 81 SER C C 81 173.279 173.279 173.640 -0.361 19942 2010 1 4 . 1 1 81 81 SER CA C 81 58.658 58.658 58.681 -0.023 19942 2011 1 4 . 1 1 81 81 SER CB C 81 63.490 63.490 64.032 -0.542 19942 2012 1 4 . 1 1 81 81 SER H H 81 7.878 7.878 8.212 -0.334 19942 2013 1 4 . 1 1 82 82 VAL N N 82 124.320 124.320 123.666 0.654 19942 2014 1 4 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.349 -0.100 19942 2015 1 4 . 1 1 82 82 VAL C C 82 173.455 173.455 173.944 -0.489 19942 2016 1 4 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.240 0.412 19942 2017 1 4 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.989 -1.523 19942 2018 1 4 . 1 1 82 82 VAL H H 82 7.845 7.845 7.820 0.025 19942 2019 1 4 . 1 1 83 83 SER N N 83 119.056 119.056 120.906 -1.850 19942 2020 1 4 . 1 1 83 83 SER HA H 83 5.507 5.507 5.023 0.484 19942 2021 1 4 . 1 1 83 83 SER C C 83 173.841 173.841 173.411 0.430 19942 2022 1 4 . 1 1 83 83 SER CA C 83 56.624 56.624 56.539 0.085 19942 2023 1 4 . 1 1 83 83 SER CB C 83 66.733 66.733 66.486 0.248 19942 2024 1 4 . 1 1 83 83 SER H H 83 8.549 8.549 8.413 0.136 19942 2025 1 4 . 1 1 84 84 GLY N N 84 111.431 111.431 108.461 2.970 19942 2026 1 4 . 1 1 84 84 GLY C C 84 171.253 171.253 172.273 -1.020 19942 2027 1 4 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.130 0.153 19942 2028 1 4 . 1 1 84 84 GLY H H 84 8.957 8.957 8.878 0.079 19942 2029 1 4 . 1 1 85 85 ASN N N 85 114.909 114.909 119.489 -4.580 19942 2030 1 4 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.249 0.650 19942 2031 1 4 . 1 1 85 85 ASN C C 85 174.553 174.553 174.487 0.066 19942 2032 1 4 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.316 0.478 19942 2033 1 4 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.836 1.310 19942 2034 1 4 . 1 1 85 85 ASN H H 85 8.752 8.752 8.441 0.311 19942 2035 1 4 . 1 1 86 86 THR N N 86 114.501 114.501 117.425 -2.924 19942 2036 1 4 . 1 1 86 86 THR HA H 86 4.677 4.677 4.653 0.024 19942 2037 1 4 . 1 1 86 86 THR C C 86 170.890 170.890 172.699 -1.809 19942 2038 1 4 . 1 1 86 86 THR CA C 86 61.715 61.715 60.558 1.157 19942 2039 1 4 . 1 1 86 86 THR CB C 86 70.636 70.636 70.477 0.159 19942 2040 1 4 . 1 1 86 86 THR H H 86 8.922 8.922 8.499 0.423 19942 2041 1 4 . 1 1 87 87 ILE N N 87 125.857 125.857 124.537 1.320 19942 2042 1 4 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.227 0.315 19942 2043 1 4 . 1 1 87 87 ILE C C 87 175.495 175.495 175.189 0.306 19942 2044 1 4 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.535 0.708 19942 2045 1 4 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.893 0.530 19942 2046 1 4 . 1 1 87 87 ILE H H 87 8.020 8.020 8.269 -0.249 19942 2047 1 4 . 1 1 88 88 LEU N N 88 129.304 129.304 129.201 0.103 19942 2048 1 4 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.698 -0.015 19942 2049 1 4 . 1 1 88 88 LEU C C 88 174.979 174.979 175.722 -0.743 19942 2050 1 4 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.644 0.094 19942 2051 1 4 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.497 1.139 19942 2052 1 4 . 1 1 88 88 LEU H H 88 8.797 8.797 8.214 0.583 19942 2053 1 4 . 1 1 89 89 THR N N 89 117.751 117.751 116.869 0.882 19942 2054 1 4 . 1 1 89 89 THR HA H 89 4.749 4.749 4.600 0.149 19942 2055 1 4 . 1 1 89 89 THR C C 89 173.269 173.269 173.500 -0.231 19942 2056 1 4 . 1 1 89 89 THR CA C 89 62.794 62.794 61.611 1.183 19942 2057 1 4 . 1 1 89 89 THR CB C 89 70.202 70.202 71.043 -0.841 19942 2058 1 4 . 1 1 89 89 THR H H 89 7.882 7.882 8.365 -0.483 19942 2059 1 4 . 1 1 90 90 VAL N N 90 127.485 127.485 125.373 2.112 19942 2060 1 4 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.058 0.779 19942 2061 1 4 . 1 1 90 90 VAL C C 90 176.460 176.460 174.705 1.755 19942 2062 1 4 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.719 -2.308 19942 2063 1 4 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.550 1.109 19942 2064 1 4 . 1 1 90 90 VAL H H 90 9.139 9.139 8.736 0.403 19942 2065 1 4 . 1 1 91 91 ASN N N 91 126.674 126.674 126.303 0.371 19942 2066 1 4 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.938 -0.099 19942 2067 1 4 . 1 1 91 91 ASN C C 91 174.311 174.311 173.605 0.706 19942 2068 1 4 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.809 0.970 19942 2069 1 4 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.704 -1.927 19942 2070 1 4 . 1 1 91 91 ASN H H 91 8.992 8.992 8.067 0.925 19942 2071 1 4 . 1 1 92 92 LYS N N 92 122.622 122.622 121.457 1.165 19942 2072 1 4 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.798 -0.380 19942 2073 1 4 . 1 1 92 92 LYS C C 92 176.757 176.757 176.141 0.616 19942 2074 1 4 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.192 0.278 19942 2075 1 4 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.778 -0.476 19942 2076 1 4 . 1 1 92 92 LYS H H 92 8.556 8.556 8.431 0.125 19942 2077 1 4 . 1 1 93 93 THR N N 93 119.358 119.358 118.451 0.907 19942 2078 1 4 . 1 1 93 93 THR HA H 93 4.315 4.315 4.490 -0.175 19942 2079 1 4 . 1 1 93 93 THR C C 93 174.018 174.018 173.459 0.559 19942 2080 1 4 . 1 1 93 93 THR CA C 93 62.060 62.060 61.803 0.257 19942 2081 1 4 . 1 1 93 93 THR CB C 93 69.715 69.715 70.355 -0.640 19942 2082 1 4 . 1 1 93 93 THR H H 93 8.439 8.439 8.326 0.113 19942 2083 1 4 . 1 1 94 94 ASP N N 94 124.142 124.142 125.856 -1.714 19942 2084 1 4 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.711 -0.046 19942 2085 1 4 . 1 1 94 94 ASP C C 94 175.464 175.464 176.314 -0.850 19942 2086 1 4 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.473 1.042 19942 2087 1 4 . 1 1 94 94 ASP CB C 94 41.117 41.117 41.285 -0.168 19942 2088 1 4 . 1 1 94 94 ASP H H 94 8.583 8.583 8.537 0.046 19942 2089 1 5 . 1 1 3 3 ALA N N 3 123.810 123.810 120.263 3.547 19942 2090 1 5 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.578 -0.369 19942 2091 1 5 . 1 1 3 3 ALA C C 3 177.476 177.476 176.216 1.260 19942 2092 1 5 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.482 0.968 19942 2093 1 5 . 1 1 3 3 ALA CB C 3 19.517 19.517 21.137 -1.620 19942 2094 1 5 . 1 1 3 3 ALA H H 3 8.387 8.387 7.527 0.860 19942 2095 1 5 . 1 1 4 4 THR N N 4 113.060 113.060 114.906 -1.846 19942 2096 1 5 . 1 1 4 4 THR HA H 4 4.621 4.621 4.798 -0.177 19942 2097 1 5 . 1 1 4 4 THR C C 4 174.426 174.426 173.605 0.821 19942 2098 1 5 . 1 1 4 4 THR CA C 4 60.020 60.020 61.213 -1.193 19942 2099 1 5 . 1 1 4 4 THR CB C 4 71.041 71.041 71.356 -0.315 19942 2100 1 5 . 1 1 4 4 THR H H 4 8.593 8.593 8.643 -0.050 19942 2101 1 5 . 1 1 5 5 LEU N N 5 125.889 125.889 123.753 2.136 19942 2102 1 5 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.157 -0.721 19942 2103 1 5 . 1 1 5 5 LEU C C 5 175.432 175.432 176.519 -1.087 19942 2104 1 5 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.187 1.004 19942 2105 1 5 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.387 -1.128 19942 2106 1 5 . 1 1 5 5 LEU H H 5 8.888 8.888 8.554 0.334 19942 2107 1 5 . 1 1 6 6 SER N N 6 123.564 123.564 124.239 -0.675 19942 2108 1 5 . 1 1 6 6 SER HA H 6 4.574 4.574 4.465 0.110 19942 2109 1 5 . 1 1 6 6 SER C C 6 174.217 174.217 174.129 0.088 19942 2110 1 5 . 1 1 6 6 SER CA C 6 59.688 59.688 59.890 -0.202 19942 2111 1 5 . 1 1 6 6 SER CB C 6 64.300 64.300 63.829 0.471 19942 2112 1 5 . 1 1 6 6 SER H H 6 9.155 9.155 8.710 0.445 19942 2113 1 5 . 1 1 7 7 SER N N 7 112.212 112.212 115.127 -2.915 19942 2114 1 5 . 1 1 7 7 SER HA H 7 4.499 4.499 4.723 -0.224 19942 2115 1 5 . 1 1 7 7 SER C C 7 171.592 171.592 172.630 -1.038 19942 2116 1 5 . 1 1 7 7 SER CA C 7 57.676 57.676 57.914 -0.238 19942 2117 1 5 . 1 1 7 7 SER CB C 7 64.795 64.795 65.464 -0.669 19942 2118 1 5 . 1 1 7 7 SER H H 7 7.913 7.913 7.594 0.319 19942 2119 1 5 . 1 1 8 8 ILE N N 8 120.132 120.132 120.910 -0.778 19942 2120 1 5 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.223 0.439 19942 2121 1 5 . 1 1 8 8 ILE C C 8 174.094 174.094 175.404 -1.310 19942 2122 1 5 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.737 -0.420 19942 2123 1 5 . 1 1 8 8 ILE CB C 8 42.926 42.926 39.870 3.056 19942 2124 1 5 . 1 1 8 8 ILE H H 8 8.628 8.628 8.357 0.271 19942 2125 1 5 . 1 1 9 9 SER N N 9 120.939 120.939 122.839 -1.900 19942 2126 1 5 . 1 1 9 9 SER HA H 9 4.907 4.907 4.884 0.023 19942 2127 1 5 . 1 1 9 9 SER C C 9 173.176 173.176 172.902 0.274 19942 2128 1 5 . 1 1 9 9 SER CA C 9 56.291 56.291 57.180 -0.889 19942 2129 1 5 . 1 1 9 9 SER CB C 9 65.325 65.325 65.936 -0.611 19942 2130 1 5 . 1 1 9 9 SER H H 9 8.761 8.761 8.862 -0.101 19942 2131 1 5 . 1 1 10 10 ILE N N 10 126.047 126.047 122.924 3.123 19942 2132 1 5 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.498 0.979 19942 2133 1 5 . 1 1 10 10 ILE C C 10 175.259 175.259 175.609 -0.350 19942 2134 1 5 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.554 -1.462 19942 2135 1 5 . 1 1 10 10 ILE CB C 10 39.842 39.842 40.650 -0.808 19942 2136 1 5 . 1 1 10 10 ILE H H 10 8.852 8.852 8.486 0.366 19942 2137 1 5 . 1 1 11 11 SER N N 11 122.938 122.938 122.702 0.236 19942 2138 1 5 . 1 1 11 11 SER HA H 11 4.704 4.704 4.970 -0.266 19942 2139 1 5 . 1 1 11 11 SER C C 11 170.288 170.288 172.866 -2.578 19942 2140 1 5 . 1 1 11 11 SER CA C 11 55.401 55.401 56.252 -0.850 19942 2141 1 5 . 1 1 11 11 SER CB C 11 65.248 65.248 63.856 1.392 19942 2142 1 5 . 1 1 11 11 SER H H 11 9.108 9.108 8.880 0.228 19942 2143 1 5 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.289 0.408 19942 2144 1 5 . 1 1 12 12 PRO C C 12 175.467 175.467 176.388 -0.921 19942 2145 1 5 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.674 -2.218 19942 2146 1 5 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.193 2.713 19942 2147 1 5 . 1 1 13 13 ILE N N 13 118.003 118.003 119.298 -1.295 19942 2148 1 5 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.056 0.295 19942 2149 1 5 . 1 1 13 13 ILE C C 13 176.535 176.535 177.316 -0.781 19942 2150 1 5 . 1 1 13 13 ILE CA C 13 61.092 61.092 61.321 -0.229 19942 2151 1 5 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.147 0.086 19942 2152 1 5 . 1 1 13 13 ILE H H 13 8.233 8.233 8.383 -0.150 19942 2153 1 5 . 1 1 14 14 ASN N N 14 122.727 122.727 122.094 0.633 19942 2154 1 5 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.542 0.234 19942 2155 1 5 . 1 1 14 14 ASN C C 14 175.286 175.286 174.989 0.297 19942 2156 1 5 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.412 -1.826 19942 2157 1 5 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.583 -1.087 19942 2158 1 5 . 1 1 14 14 ASN H H 14 8.501 8.501 8.723 -0.223 19942 2159 1 5 . 1 1 15 15 THR N N 15 114.899 114.899 110.198 4.701 19942 2160 1 5 . 1 1 15 15 THR HA H 15 4.587 4.587 4.522 0.065 19942 2161 1 5 . 1 1 15 15 THR C C 15 173.339 173.339 172.884 0.455 19942 2162 1 5 . 1 1 15 15 THR CA C 15 61.059 61.059 61.757 -0.698 19942 2163 1 5 . 1 1 15 15 THR CB C 15 69.683 69.683 69.311 0.372 19942 2164 1 5 . 1 1 15 15 THR H H 15 8.878 8.878 7.982 0.896 19942 2165 1 5 . 1 1 16 16 ASN N N 16 119.994 119.994 122.832 -2.838 19942 2166 1 5 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.397 0.417 19942 2167 1 5 . 1 1 16 16 ASN C C 16 173.995 173.995 173.007 0.988 19942 2168 1 5 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.386 0.000 19942 2169 1 5 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.864 -1.485 19942 2170 1 5 . 1 1 16 16 ASN H H 16 8.293 8.293 8.174 0.119 19942 2171 1 5 . 1 1 17 17 ILE N N 17 118.356 118.356 119.042 -0.686 19942 2172 1 5 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.347 0.376 19942 2173 1 5 . 1 1 17 17 ILE C C 17 173.556 173.556 173.118 0.438 19942 2174 1 5 . 1 1 17 17 ILE CA C 17 59.491 59.491 59.601 -0.110 19942 2175 1 5 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.849 0.588 19942 2176 1 5 . 1 1 17 17 ILE H H 17 8.962 8.962 8.032 0.930 19942 2177 1 5 . 1 1 18 18 ASN N N 18 122.798 122.798 121.458 1.340 19942 2178 1 5 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.822 0.717 19942 2179 1 5 . 1 1 18 18 ASN C C 18 176.607 176.607 177.056 -0.449 19942 2180 1 5 . 1 1 18 18 ASN CA C 18 51.292 51.292 53.655 -2.363 19942 2181 1 5 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.274 0.069 19942 2182 1 5 . 1 1 18 18 ASN H H 18 8.404 8.404 8.459 -0.055 19942 2183 1 5 . 1 1 19 19 THR C C 19 175.737 175.737 174.916 0.821 19942 2184 1 5 . 1 1 19 19 THR CA C 19 62.695 62.695 64.862 -2.167 19942 2185 1 5 . 1 1 19 19 THR CB C 19 68.758 68.758 68.971 -0.213 19942 2186 1 5 . 1 1 20 20 THR N N 20 113.750 113.750 111.140 2.610 19942 2187 1 5 . 1 1 20 20 THR HA H 20 4.281 4.281 4.608 -0.327 19942 2188 1 5 . 1 1 20 20 THR C C 20 173.630 173.630 174.727 -1.097 19942 2189 1 5 . 1 1 20 20 THR CA C 20 64.559 64.559 61.029 3.530 19942 2190 1 5 . 1 1 20 20 THR CB C 20 69.925 69.925 69.622 0.303 19942 2191 1 5 . 1 1 20 20 THR H H 20 8.400 8.400 8.031 0.369 19942 2192 1 5 . 1 1 21 21 VAL N N 21 124.237 124.237 120.535 3.702 19942 2193 1 5 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.322 -0.074 19942 2194 1 5 . 1 1 21 21 VAL C C 21 175.464 175.464 175.028 0.436 19942 2195 1 5 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.962 1.311 19942 2196 1 5 . 1 1 21 21 VAL H H 21 7.953 7.953 7.716 0.237 19942 2197 1 5 . 1 1 22 22 SER HA H 22 5.542 5.542 5.061 0.481 19942 2198 1 5 . 1 1 22 22 SER C C 22 173.145 173.145 173.258 -0.113 19942 2199 1 5 . 1 1 22 22 SER CA C 22 58.153 58.153 57.014 1.139 19942 2200 1 5 . 1 1 22 22 SER CB C 22 64.768 64.768 64.668 0.100 19942 2201 1 5 . 1 1 23 23 LYS N N 23 124.177 124.177 123.391 0.786 19942 2202 1 5 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.425 0.085 19942 2203 1 5 . 1 1 23 23 LYS C C 23 173.847 173.847 174.003 -0.156 19942 2204 1 5 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.243 -0.292 19942 2205 1 5 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.487 1.429 19942 2206 1 5 . 1 1 23 23 LYS H H 23 9.372 9.372 8.194 1.178 19942 2207 1 5 . 1 1 24 24 GLN N N 24 128.777 128.777 125.990 2.787 19942 2208 1 5 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.435 -0.751 19942 2209 1 5 . 1 1 24 24 GLN C C 24 173.229 173.229 174.118 -0.889 19942 2210 1 5 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.008 2.120 19942 2211 1 5 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.336 -1.818 19942 2212 1 5 . 1 1 24 24 GLN H H 24 8.742 8.742 8.260 0.482 19942 2213 1 5 . 1 1 25 25 PHE N N 25 128.481 128.481 118.824 9.657 19942 2214 1 5 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.453 0.552 19942 2215 1 5 . 1 1 25 25 PHE C C 25 174.268 174.268 173.494 0.774 19942 2216 1 5 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.292 2.066 19942 2217 1 5 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.150 0.683 19942 2218 1 5 . 1 1 25 25 PHE H H 25 7.728 7.728 6.606 1.122 19942 2219 1 5 . 1 1 26 26 PHE N N 26 114.641 114.641 118.486 -3.845 19942 2220 1 5 . 1 1 26 26 PHE HA H 26 5.527 5.527 4.950 0.577 19942 2221 1 5 . 1 1 26 26 PHE C C 26 175.679 175.679 175.288 0.391 19942 2222 1 5 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.856 0.295 19942 2223 1 5 . 1 1 26 26 PHE CB C 26 42.737 42.737 41.889 0.848 19942 2224 1 5 . 1 1 26 26 PHE H H 26 9.354 9.354 7.890 1.464 19942 2225 1 5 . 1 1 27 27 ALA N N 27 123.352 123.352 124.441 -1.089 19942 2226 1 5 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.123 0.082 19942 2227 1 5 . 1 1 27 27 ALA C C 27 174.966 174.966 175.673 -0.707 19942 2228 1 5 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.651 -0.705 19942 2229 1 5 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.654 0.236 19942 2230 1 5 . 1 1 27 27 ALA H H 27 8.935 8.935 9.610 -0.675 19942 2231 1 5 . 1 1 28 28 VAL N N 28 122.875 122.875 124.327 -1.452 19942 2232 1 5 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.796 -0.129 19942 2233 1 5 . 1 1 28 28 VAL C C 28 177.371 177.371 174.803 2.568 19942 2234 1 5 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.584 0.630 19942 2235 1 5 . 1 1 28 28 VAL CB C 28 34.295 34.295 35.575 -1.280 19942 2236 1 5 . 1 1 28 28 VAL H H 28 8.933 8.933 8.709 0.224 19942 2237 1 5 . 1 1 29 29 GLY N N 29 118.628 118.628 113.037 5.591 19942 2238 1 5 . 1 1 29 29 GLY C C 29 171.637 171.637 172.463 -0.826 19942 2239 1 5 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.577 1.479 19942 2240 1 5 . 1 1 29 29 GLY H H 29 9.852 9.852 8.732 1.120 19942 2241 1 5 . 1 1 30 30 THR N N 30 119.749 119.749 119.752 -0.003 19942 2242 1 5 . 1 1 30 30 THR HA H 30 5.033 5.033 5.179 -0.146 19942 2243 1 5 . 1 1 30 30 THR C C 30 173.854 173.854 173.663 0.191 19942 2244 1 5 . 1 1 30 30 THR CA C 30 62.384 62.384 61.801 0.583 19942 2245 1 5 . 1 1 30 30 THR CB C 30 69.631 69.631 70.828 -1.197 19942 2246 1 5 . 1 1 30 30 THR H H 30 8.632 8.632 7.802 0.830 19942 2247 1 5 . 1 1 31 31 TYR N N 31 126.778 126.778 126.763 0.015 19942 2248 1 5 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.916 0.103 19942 2249 1 5 . 1 1 31 31 TYR C C 31 179.438 179.438 178.386 1.052 19942 2250 1 5 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.820 0.192 19942 2251 1 5 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.814 1.056 19942 2252 1 5 . 1 1 31 31 TYR H H 31 9.411 9.411 9.035 0.376 19942 2253 1 5 . 1 1 32 32 SER N N 32 118.249 118.249 118.962 -0.713 19942 2254 1 5 . 1 1 32 32 SER HA H 32 4.112 4.112 4.219 -0.107 19942 2255 1 5 . 1 1 32 32 SER C C 32 174.175 174.175 175.204 -1.029 19942 2256 1 5 . 1 1 32 32 SER CA C 32 61.407 61.407 60.969 0.438 19942 2257 1 5 . 1 1 32 32 SER CB C 32 62.779 62.779 62.833 -0.054 19942 2258 1 5 . 1 1 32 32 SER H H 32 9.767 9.767 8.623 1.144 19942 2259 1 5 . 1 1 33 33 ASP N N 33 119.614 119.614 120.449 -0.835 19942 2260 1 5 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.692 0.042 19942 2261 1 5 . 1 1 33 33 ASP C C 33 177.097 177.097 177.156 -0.059 19942 2262 1 5 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.471 -1.795 19942 2263 1 5 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.417 0.104 19942 2264 1 5 . 1 1 33 33 ASP H H 33 7.702 7.702 8.015 -0.313 19942 2265 1 5 . 1 1 34 34 GLY N N 34 108.749 108.749 106.980 1.769 19942 2266 1 5 . 1 1 34 34 GLY C C 34 174.828 174.828 174.521 0.307 19942 2267 1 5 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.438 -0.145 19942 2268 1 5 . 1 1 34 34 GLY H H 34 8.420 8.420 8.402 0.018 19942 2269 1 5 . 1 1 35 35 THR N N 35 113.544 113.544 116.399 -2.855 19942 2270 1 5 . 1 1 35 35 THR HA H 35 4.297 4.297 4.403 -0.106 19942 2271 1 5 . 1 1 35 35 THR C C 35 173.074 173.074 173.627 -0.553 19942 2272 1 5 . 1 1 35 35 THR CA C 35 62.762 62.762 62.448 0.314 19942 2273 1 5 . 1 1 35 35 THR CB C 35 71.079 71.079 69.888 1.192 19942 2274 1 5 . 1 1 35 35 THR H H 35 7.863 7.863 7.795 0.068 19942 2275 1 5 . 1 1 36 36 LYS N N 36 118.248 118.248 122.575 -4.327 19942 2276 1 5 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.253 0.674 19942 2277 1 5 . 1 1 36 36 LYS C C 36 176.847 176.847 175.369 1.478 19942 2278 1 5 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.248 -0.717 19942 2279 1 5 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.900 1.023 19942 2280 1 5 . 1 1 36 36 LYS H H 36 8.374 8.374 8.433 -0.059 19942 2281 1 5 . 1 1 37 37 ALA N N 37 121.621 121.621 125.934 -4.313 19942 2282 1 5 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.596 0.072 19942 2283 1 5 . 1 1 37 37 ALA C C 37 175.556 175.556 174.786 0.770 19942 2284 1 5 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.852 -0.475 19942 2285 1 5 . 1 1 37 37 ALA CB C 37 23.537 23.537 22.049 1.488 19942 2286 1 5 . 1 1 37 37 ALA H H 37 8.892 8.892 8.533 0.359 19942 2287 1 5 . 1 1 38 38 ASP N N 38 121.602 121.602 121.074 0.528 19942 2288 1 5 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.103 -0.243 19942 2289 1 5 . 1 1 38 38 ASP C C 38 176.487 176.487 176.502 -0.015 19942 2290 1 5 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.219 1.015 19942 2291 1 5 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.436 -0.661 19942 2292 1 5 . 1 1 38 38 ASP H H 38 8.983 8.983 8.549 0.434 19942 2293 1 5 . 1 1 39 39 LEU N N 39 128.342 128.342 125.313 3.029 19942 2294 1 5 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.646 0.215 19942 2295 1 5 . 1 1 39 39 LEU C C 39 177.565 177.565 177.478 0.087 19942 2296 1 5 . 1 1 39 39 LEU CA C 39 53.590 53.590 53.823 -0.233 19942 2297 1 5 . 1 1 39 39 LEU CB C 39 43.933 43.933 42.116 1.817 19942 2298 1 5 . 1 1 39 39 LEU H H 39 9.218 9.218 8.615 0.603 19942 2299 1 5 . 1 1 40 40 THR N N 40 122.567 122.567 116.763 5.804 19942 2300 1 5 . 1 1 40 40 THR HA H 40 4.526 4.526 4.375 0.151 19942 2301 1 5 . 1 1 40 40 THR C C 40 174.562 174.562 176.347 -1.785 19942 2302 1 5 . 1 1 40 40 THR CA C 40 69.870 69.870 67.953 1.917 19942 2303 1 5 . 1 1 40 40 THR CB C 40 69.268 69.268 68.749 0.519 19942 2304 1 5 . 1 1 40 40 THR H H 40 8.983 8.983 8.077 0.906 19942 2305 1 5 . 1 1 41 41 SER N N 41 109.895 109.895 112.204 -2.309 19942 2306 1 5 . 1 1 41 41 SER HA H 41 4.465 4.465 4.515 -0.050 19942 2307 1 5 . 1 1 41 41 SER C C 41 174.686 174.686 175.023 -0.337 19942 2308 1 5 . 1 1 41 41 SER CA C 41 59.960 59.960 59.661 0.299 19942 2309 1 5 . 1 1 41 41 SER CB C 41 63.643 63.643 63.355 0.288 19942 2310 1 5 . 1 1 41 41 SER H H 41 8.749 8.749 8.613 0.136 19942 2311 1 5 . 1 1 42 42 SER N N 42 117.037 117.037 117.171 -0.134 19942 2312 1 5 . 1 1 42 42 SER HA H 42 4.706 4.706 4.707 -0.001 19942 2313 1 5 . 1 1 42 42 SER C C 42 175.240 175.240 175.248 -0.008 19942 2314 1 5 . 1 1 42 42 SER CA C 42 59.742 59.742 59.382 0.360 19942 2315 1 5 . 1 1 42 42 SER CB C 42 64.724 64.724 64.677 0.047 19942 2316 1 5 . 1 1 42 42 SER H H 42 8.056 8.056 7.967 0.089 19942 2317 1 5 . 1 1 43 43 VAL N N 43 113.914 113.914 118.777 -4.863 19942 2318 1 5 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.835 -0.523 19942 2319 1 5 . 1 1 43 43 VAL C C 43 174.501 174.501 174.928 -0.427 19942 2320 1 5 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.746 0.326 19942 2321 1 5 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.449 -1.051 19942 2322 1 5 . 1 1 43 43 VAL H H 43 7.498 7.498 8.095 -0.597 19942 2323 1 5 . 1 1 44 44 THR N N 44 116.194 116.194 120.201 -4.007 19942 2324 1 5 . 1 1 44 44 THR HA H 44 4.515 4.515 4.760 -0.245 19942 2325 1 5 . 1 1 44 44 THR C C 44 175.110 175.110 174.062 1.048 19942 2326 1 5 . 1 1 44 44 THR CA C 44 62.468 62.468 62.000 0.468 19942 2327 1 5 . 1 1 44 44 THR CB C 44 69.914 69.914 70.294 -0.380 19942 2328 1 5 . 1 1 44 44 THR H H 44 9.020 9.020 8.145 0.875 19942 2329 1 5 . 1 1 45 45 TRP N N 45 133.716 133.716 129.046 4.670 19942 2330 1 5 . 1 1 45 45 TRP HA H 45 5.384 5.384 5.003 0.381 19942 2331 1 5 . 1 1 45 45 TRP C C 45 176.565 176.565 176.425 0.140 19942 2332 1 5 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.416 0.318 19942 2333 1 5 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.742 0.753 19942 2334 1 5 . 1 1 45 45 TRP H H 45 9.667 9.667 8.889 0.778 19942 2335 1 5 . 1 1 46 46 SER N N 46 117.142 117.142 116.338 0.804 19942 2336 1 5 . 1 1 46 46 SER HA H 46 4.620 4.620 4.861 -0.241 19942 2337 1 5 . 1 1 46 46 SER C C 46 171.333 171.333 172.625 -1.292 19942 2338 1 5 . 1 1 46 46 SER CA C 46 58.013 58.013 57.325 0.688 19942 2339 1 5 . 1 1 46 46 SER CB C 46 65.605 65.605 66.034 -0.429 19942 2340 1 5 . 1 1 46 46 SER H H 46 10.001 10.001 8.450 1.551 19942 2341 1 5 . 1 1 47 47 SER N N 47 112.791 112.791 117.364 -4.573 19942 2342 1 5 . 1 1 47 47 SER HA H 47 5.530 5.530 5.265 0.265 19942 2343 1 5 . 1 1 47 47 SER C C 47 176.141 176.141 175.175 0.966 19942 2344 1 5 . 1 1 47 47 SER CA C 47 53.591 53.591 55.743 -2.152 19942 2345 1 5 . 1 1 47 47 SER CB C 47 66.167 66.167 65.877 0.290 19942 2346 1 5 . 1 1 47 47 SER H H 47 8.594 8.594 8.563 0.031 19942 2347 1 5 . 1 1 48 48 SER N N 48 122.562 122.562 119.039 3.523 19942 2348 1 5 . 1 1 48 48 SER HA H 48 4.289 4.289 4.316 -0.027 19942 2349 1 5 . 1 1 48 48 SER C C 48 174.767 174.767 176.004 -1.237 19942 2350 1 5 . 1 1 48 48 SER CA C 48 60.419 60.419 60.957 -0.538 19942 2351 1 5 . 1 1 48 48 SER CB C 48 62.630 62.630 63.349 -0.719 19942 2352 1 5 . 1 1 48 48 SER H H 48 9.685 9.685 8.460 1.225 19942 2353 1 5 . 1 1 49 49 ASN N N 49 118.253 118.253 122.495 -4.242 19942 2354 1 5 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.659 0.074 19942 2355 1 5 . 1 1 49 49 ASN C C 49 175.845 175.845 174.946 0.899 19942 2356 1 5 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.279 0.287 19942 2357 1 5 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.533 1.551 19942 2358 1 5 . 1 1 49 49 ASN H H 49 8.006 8.006 7.891 0.115 19942 2359 1 5 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.332 0.212 19942 2360 1 5 . 1 1 50 50 GLN C C 50 175.944 175.944 178.094 -2.150 19942 2361 1 5 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.384 -0.922 19942 2362 1 5 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.618 0.295 19942 2363 1 5 . 1 1 51 51 SER N N 51 113.229 113.229 114.098 -0.869 19942 2364 1 5 . 1 1 51 51 SER HA H 51 4.302 4.302 4.294 0.008 19942 2365 1 5 . 1 1 51 51 SER C C 51 173.524 173.524 175.190 -1.666 19942 2366 1 5 . 1 1 51 51 SER CA C 51 59.973 59.973 61.156 -1.183 19942 2367 1 5 . 1 1 51 51 SER CB C 51 62.832 62.832 63.183 -0.351 19942 2368 1 5 . 1 1 51 51 SER H H 51 8.205 8.205 8.653 -0.448 19942 2369 1 5 . 1 1 52 52 GLN N N 52 116.510 116.510 119.036 -2.526 19942 2370 1 5 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.512 0.046 19942 2371 1 5 . 1 1 52 52 GLN C C 52 176.697 176.697 174.061 2.636 19942 2372 1 5 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.848 0.268 19942 2373 1 5 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.755 -0.171 19942 2374 1 5 . 1 1 52 52 GLN H H 52 7.277 7.277 8.165 -0.888 19942 2375 1 5 . 1 1 53 53 ALA N N 53 119.325 119.325 119.513 -0.188 19942 2376 1 5 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.777 0.131 19942 2377 1 5 . 1 1 53 53 ALA C C 53 174.225 174.225 175.007 -0.782 19942 2378 1 5 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.699 0.679 19942 2379 1 5 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.296 -0.200 19942 2380 1 5 . 1 1 53 53 ALA H H 53 8.150 8.150 7.249 0.901 19942 2381 1 5 . 1 1 54 54 LYS N N 54 120.764 120.764 120.699 0.065 19942 2382 1 5 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.811 0.098 19942 2383 1 5 . 1 1 54 54 LYS C C 54 173.892 173.892 174.854 -0.962 19942 2384 1 5 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.121 -1.359 19942 2385 1 5 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.547 -0.439 19942 2386 1 5 . 1 1 54 54 LYS H H 54 8.397 8.397 7.952 0.445 19942 2387 1 5 . 1 1 55 55 VAL N N 55 118.409 118.409 123.566 -5.157 19942 2388 1 5 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.482 0.451 19942 2389 1 5 . 1 1 55 55 VAL C C 55 172.770 172.770 175.635 -2.865 19942 2390 1 5 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.669 -3.599 19942 2391 1 5 . 1 1 55 55 VAL CB C 55 34.874 34.874 31.967 2.907 19942 2392 1 5 . 1 1 55 55 VAL H H 55 8.748 8.748 8.517 0.231 19942 2393 1 5 . 1 1 56 56 SER N N 56 119.976 119.976 124.674 -4.698 19942 2394 1 5 . 1 1 56 56 SER HA H 56 4.364 4.364 4.682 -0.318 19942 2395 1 5 . 1 1 56 56 SER C C 56 174.635 174.635 172.666 1.969 19942 2396 1 5 . 1 1 56 56 SER CA C 56 57.399 57.399 57.648 -0.249 19942 2397 1 5 . 1 1 56 56 SER CB C 56 63.633 63.633 64.654 -1.021 19942 2398 1 5 . 1 1 56 56 SER H H 56 7.851 7.851 8.682 -0.831 19942 2399 1 5 . 1 1 57 57 ASN N N 57 124.627 124.627 122.013 2.614 19942 2400 1 5 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.846 0.411 19942 2401 1 5 . 1 1 57 57 ASN C C 57 174.450 174.450 174.001 0.449 19942 2402 1 5 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.433 0.955 19942 2403 1 5 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.013 1.517 19942 2404 1 5 . 1 1 57 57 ASN H H 57 9.190 9.190 8.363 0.827 19942 2405 1 5 . 1 1 58 58 ALA N N 58 127.007 127.007 124.731 2.276 19942 2406 1 5 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.514 -0.176 19942 2407 1 5 . 1 1 58 58 ALA C C 58 178.628 178.628 177.931 0.697 19942 2408 1 5 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.245 0.983 19942 2409 1 5 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.271 -1.361 19942 2410 1 5 . 1 1 58 58 ALA H H 58 8.121 8.121 8.664 -0.543 19942 2411 1 5 . 1 1 59 59 SER N N 59 116.407 116.407 114.109 2.298 19942 2412 1 5 . 1 1 59 59 SER HA H 59 4.888 4.888 4.220 0.668 19942 2413 1 5 . 1 1 59 59 SER C C 59 176.729 176.729 175.495 1.234 19942 2414 1 5 . 1 1 59 59 SER CA C 59 62.500 62.500 61.140 1.360 19942 2415 1 5 . 1 1 59 59 SER CB C 59 63.113 63.113 63.226 -0.113 19942 2416 1 5 . 1 1 59 59 SER H H 59 8.767 8.767 8.637 0.130 19942 2417 1 5 . 1 1 60 60 GLU N N 60 117.093 117.093 117.863 -0.770 19942 2418 1 5 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.282 -0.050 19942 2419 1 5 . 1 1 60 60 GLU C C 60 177.467 177.467 177.252 0.215 19942 2420 1 5 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.747 0.969 19942 2421 1 5 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.861 -0.250 19942 2422 1 5 . 1 1 60 60 GLU H H 60 9.190 9.190 8.426 0.764 19942 2423 1 5 . 1 1 61 61 THR N N 61 107.270 107.270 109.556 -2.286 19942 2424 1 5 . 1 1 61 61 THR HA H 61 4.820 4.820 4.390 0.430 19942 2425 1 5 . 1 1 61 61 THR C C 61 173.068 173.068 175.106 -2.038 19942 2426 1 5 . 1 1 61 61 THR CA C 61 59.191 59.191 61.008 -1.817 19942 2427 1 5 . 1 1 61 61 THR CB C 61 69.219 69.219 69.221 -0.002 19942 2428 1 5 . 1 1 61 61 THR H H 61 7.369 7.369 7.258 0.111 19942 2429 1 5 . 1 1 62 62 LYS N N 62 122.917 122.917 123.137 -0.220 19942 2430 1 5 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.145 -0.459 19942 2431 1 5 . 1 1 62 62 LYS C C 62 178.225 178.225 176.688 1.537 19942 2432 1 5 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.004 0.117 19942 2433 1 5 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.691 0.598 19942 2434 1 5 . 1 1 62 62 LYS H H 62 6.924 6.924 7.634 -0.710 19942 2435 1 5 . 1 1 63 63 GLY N N 63 111.784 111.784 109.657 2.127 19942 2436 1 5 . 1 1 63 63 GLY C C 63 171.831 171.831 172.317 -0.486 19942 2437 1 5 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.298 0.057 19942 2438 1 5 . 1 1 63 63 GLY H H 63 7.966 7.966 8.604 -0.638 19942 2439 1 5 . 1 1 64 64 LEU N N 64 120.854 120.854 120.549 0.305 19942 2440 1 5 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.376 -0.316 19942 2441 1 5 . 1 1 64 64 LEU C C 64 176.666 176.666 174.417 2.249 19942 2442 1 5 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.790 1.773 19942 2443 1 5 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.492 -1.419 19942 2444 1 5 . 1 1 64 64 LEU H H 64 7.785 7.785 7.634 0.151 19942 2445 1 5 . 1 1 65 65 VAL N N 65 135.184 135.184 126.245 8.939 19942 2446 1 5 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.434 0.202 19942 2447 1 5 . 1 1 65 65 VAL C C 65 174.956 174.956 174.708 0.248 19942 2448 1 5 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.941 0.382 19942 2449 1 5 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.719 -2.723 19942 2450 1 5 . 1 1 65 65 VAL H H 65 8.973 8.973 7.970 1.003 19942 2451 1 5 . 1 1 66 66 THR N N 66 121.955 121.955 123.715 -1.760 19942 2452 1 5 . 1 1 66 66 THR HA H 66 4.774 4.774 4.687 0.087 19942 2453 1 5 . 1 1 66 66 THR C C 66 174.266 174.266 173.382 0.884 19942 2454 1 5 . 1 1 66 66 THR CA C 66 61.225 61.225 61.820 -0.595 19942 2455 1 5 . 1 1 66 66 THR CB C 66 71.190 71.190 70.617 0.573 19942 2456 1 5 . 1 1 66 66 THR H H 66 8.947 8.947 8.151 0.796 19942 2457 1 5 . 1 1 67 67 GLY N N 67 114.304 114.304 114.265 0.039 19942 2458 1 5 . 1 1 67 67 GLY C C 67 172.326 172.326 174.055 -1.729 19942 2459 1 5 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.888 2.344 19942 2460 1 5 . 1 1 67 67 GLY H H 67 9.201 9.201 8.308 0.893 19942 2461 1 5 . 1 1 68 68 ILE N N 68 126.492 126.492 125.834 0.658 19942 2462 1 5 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.847 0.276 19942 2463 1 5 . 1 1 68 68 ILE C C 68 175.021 175.021 176.413 -1.392 19942 2464 1 5 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.779 -2.171 19942 2465 1 5 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.531 0.623 19942 2466 1 5 . 1 1 68 68 ILE H H 68 8.927 8.927 7.993 0.934 19942 2467 1 5 . 1 1 69 69 ALA N N 69 122.378 122.378 119.522 2.856 19942 2468 1 5 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.435 -0.040 19942 2469 1 5 . 1 1 69 69 ALA C C 69 174.111 174.111 175.560 -1.449 19942 2470 1 5 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.757 -0.898 19942 2471 1 5 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.532 2.525 19942 2472 1 5 . 1 1 69 69 ALA H H 69 8.413 8.413 7.639 0.774 19942 2473 1 5 . 1 1 70 70 SER N N 70 110.668 110.668 116.872 -6.204 19942 2474 1 5 . 1 1 70 70 SER HA H 70 4.013 4.013 4.602 -0.589 19942 2475 1 5 . 1 1 70 70 SER C C 70 174.180 174.180 173.647 0.533 19942 2476 1 5 . 1 1 70 70 SER CA C 70 58.620 58.620 57.611 1.009 19942 2477 1 5 . 1 1 70 70 SER CB C 70 64.114 64.114 64.553 -0.439 19942 2478 1 5 . 1 1 70 70 SER H H 70 8.109 8.109 8.091 0.018 19942 2479 1 5 . 1 1 71 71 GLY N N 71 108.506 108.506 107.476 1.030 19942 2480 1 5 . 1 1 71 71 GLY C C 71 170.868 170.868 173.358 -2.490 19942 2481 1 5 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.257 -0.914 19942 2482 1 5 . 1 1 71 71 GLY H H 71 8.055 8.055 8.718 -0.663 19942 2483 1 5 . 1 1 72 72 ASN N N 72 116.234 116.234 118.905 -2.671 19942 2484 1 5 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.428 -0.536 19942 2485 1 5 . 1 1 72 72 ASN C C 72 171.109 171.109 172.929 -1.820 19942 2486 1 5 . 1 1 72 72 ASN CA C 72 51.409 51.409 50.926 0.483 19942 2487 1 5 . 1 1 72 72 ASN CB C 72 39.972 39.972 41.220 -1.248 19942 2488 1 5 . 1 1 72 72 ASN H H 72 8.238 8.238 8.200 0.038 19942 2489 1 5 . 1 1 73 73 PRO C C 73 173.522 173.522 175.899 -2.377 19942 2490 1 5 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.781 0.541 19942 2491 1 5 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.584 -0.531 19942 2492 1 5 . 1 1 74 74 THR N N 74 115.192 115.192 119.751 -4.559 19942 2493 1 5 . 1 1 74 74 THR HA H 74 4.399 4.399 4.642 -0.243 19942 2494 1 5 . 1 1 74 74 THR C C 74 173.467 173.467 173.685 -0.218 19942 2495 1 5 . 1 1 74 74 THR CA C 74 61.852 61.852 62.203 -0.351 19942 2496 1 5 . 1 1 74 74 THR CB C 74 70.609 70.609 70.395 0.214 19942 2497 1 5 . 1 1 74 74 THR H H 74 8.775 8.775 7.993 0.782 19942 2498 1 5 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.912 -0.029 19942 2499 1 5 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.480 3.307 19942 2500 1 5 . 1 1 75 75 ILE CB C 75 36.867 36.867 37.770 -0.903 19942 2501 1 5 . 1 1 76 76 ILE N N 76 126.694 126.694 127.426 -0.732 19942 2502 1 5 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.340 0.335 19942 2503 1 5 . 1 1 76 76 ILE C C 76 173.870 173.870 174.229 -0.359 19942 2504 1 5 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.013 0.530 19942 2505 1 5 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.688 0.232 19942 2506 1 5 . 1 1 76 76 ILE H H 76 8.982 8.982 8.389 0.593 19942 2507 1 5 . 1 1 77 77 ALA N N 77 126.455 126.455 130.418 -3.963 19942 2508 1 5 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.984 -0.485 19942 2509 1 5 . 1 1 77 77 ALA C C 77 175.857 175.857 175.941 -0.084 19942 2510 1 5 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.607 0.186 19942 2511 1 5 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.157 0.515 19942 2512 1 5 . 1 1 77 77 ALA H H 77 8.431 8.431 8.434 -0.003 19942 2513 1 5 . 1 1 78 78 THR N N 78 116.767 116.767 120.685 -3.918 19942 2514 1 5 . 1 1 78 78 THR HA H 78 4.849 4.849 4.545 0.304 19942 2515 1 5 . 1 1 78 78 THR C C 78 173.211 173.211 172.560 0.651 19942 2516 1 5 . 1 1 78 78 THR CA C 78 61.343 61.343 61.926 -0.583 19942 2517 1 5 . 1 1 78 78 THR CB C 78 71.627 71.627 70.906 0.721 19942 2518 1 5 . 1 1 78 78 THR H H 78 8.135 8.135 8.096 0.039 19942 2519 1 5 . 1 1 79 79 TYR N N 79 127.950 127.950 128.686 -0.736 19942 2520 1 5 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.715 -0.086 19942 2521 1 5 . 1 1 79 79 TYR C C 79 174.921 174.921 175.060 -0.139 19942 2522 1 5 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.930 0.576 19942 2523 1 5 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.619 -0.047 19942 2524 1 5 . 1 1 79 79 TYR H H 79 9.136 9.136 8.693 0.443 19942 2525 1 5 . 1 1 80 80 GLY N N 80 118.393 118.393 115.982 2.411 19942 2526 1 5 . 1 1 80 80 GLY C C 80 174.902 174.902 174.219 0.683 19942 2527 1 5 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.039 0.830 19942 2528 1 5 . 1 1 80 80 GLY H H 80 8.786 8.786 8.029 0.757 19942 2529 1 5 . 1 1 81 81 SER N N 81 113.872 113.872 118.080 -4.208 19942 2530 1 5 . 1 1 81 81 SER HA H 81 4.348 4.348 4.538 -0.190 19942 2531 1 5 . 1 1 81 81 SER C C 81 173.279 173.279 173.560 -0.281 19942 2532 1 5 . 1 1 81 81 SER CA C 81 58.658 58.658 58.512 0.146 19942 2533 1 5 . 1 1 81 81 SER CB C 81 63.490 63.490 63.983 -0.493 19942 2534 1 5 . 1 1 81 81 SER H H 81 7.878 7.878 8.217 -0.339 19942 2535 1 5 . 1 1 82 82 VAL N N 82 124.320 124.320 123.876 0.444 19942 2536 1 5 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.325 -0.076 19942 2537 1 5 . 1 1 82 82 VAL C C 82 173.455 173.455 173.851 -0.396 19942 2538 1 5 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.677 -0.025 19942 2539 1 5 . 1 1 82 82 VAL CB C 82 33.466 33.466 35.283 -1.817 19942 2540 1 5 . 1 1 82 82 VAL H H 82 7.845 7.845 7.764 0.081 19942 2541 1 5 . 1 1 83 83 SER N N 83 119.056 119.056 120.512 -1.456 19942 2542 1 5 . 1 1 83 83 SER HA H 83 5.507 5.507 4.910 0.597 19942 2543 1 5 . 1 1 83 83 SER C C 83 173.841 173.841 173.405 0.436 19942 2544 1 5 . 1 1 83 83 SER CA C 83 56.624 56.624 56.827 -0.203 19942 2545 1 5 . 1 1 83 83 SER CB C 83 66.733 66.733 66.665 0.069 19942 2546 1 5 . 1 1 83 83 SER H H 83 8.549 8.549 8.357 0.192 19942 2547 1 5 . 1 1 84 84 GLY N N 84 111.431 111.431 109.185 2.246 19942 2548 1 5 . 1 1 84 84 GLY C C 84 171.253 171.253 172.336 -1.083 19942 2549 1 5 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.247 0.036 19942 2550 1 5 . 1 1 84 84 GLY H H 84 8.957 8.957 8.335 0.622 19942 2551 1 5 . 1 1 85 85 ASN N N 85 114.909 114.909 120.079 -5.170 19942 2552 1 5 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.175 0.724 19942 2553 1 5 . 1 1 85 85 ASN C C 85 174.553 174.553 174.408 0.145 19942 2554 1 5 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.693 0.101 19942 2555 1 5 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.363 1.783 19942 2556 1 5 . 1 1 85 85 ASN H H 85 8.752 8.752 8.546 0.206 19942 2557 1 5 . 1 1 86 86 THR N N 86 114.501 114.501 115.392 -0.891 19942 2558 1 5 . 1 1 86 86 THR HA H 86 4.677 4.677 4.543 0.134 19942 2559 1 5 . 1 1 86 86 THR C C 86 170.890 170.890 173.040 -2.150 19942 2560 1 5 . 1 1 86 86 THR CA C 86 61.715 61.715 60.370 1.345 19942 2561 1 5 . 1 1 86 86 THR CB C 86 70.636 70.636 70.343 0.293 19942 2562 1 5 . 1 1 86 86 THR H H 86 8.922 8.922 8.261 0.661 19942 2563 1 5 . 1 1 87 87 ILE N N 87 125.857 125.857 122.791 3.066 19942 2564 1 5 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.305 0.237 19942 2565 1 5 . 1 1 87 87 ILE C C 87 175.495 175.495 174.917 0.578 19942 2566 1 5 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.202 2.041 19942 2567 1 5 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.386 1.038 19942 2568 1 5 . 1 1 87 87 ILE H H 87 8.020 8.020 8.294 -0.274 19942 2569 1 5 . 1 1 88 88 LEU N N 88 129.304 129.304 129.814 -0.510 19942 2570 1 5 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.733 -0.050 19942 2571 1 5 . 1 1 88 88 LEU C C 88 174.979 174.979 174.994 -0.015 19942 2572 1 5 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.654 0.084 19942 2573 1 5 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.647 -0.011 19942 2574 1 5 . 1 1 88 88 LEU H H 88 8.797 8.797 8.277 0.520 19942 2575 1 5 . 1 1 89 89 THR N N 89 117.751 117.751 121.321 -3.570 19942 2576 1 5 . 1 1 89 89 THR HA H 89 4.749 4.749 4.508 0.241 19942 2577 1 5 . 1 1 89 89 THR C C 89 173.269 173.269 173.200 0.069 19942 2578 1 5 . 1 1 89 89 THR CA C 89 62.794 62.794 61.835 0.959 19942 2579 1 5 . 1 1 89 89 THR CB C 89 70.202 70.202 71.068 -0.866 19942 2580 1 5 . 1 1 89 89 THR H H 89 7.882 7.882 8.450 -0.568 19942 2581 1 5 . 1 1 90 90 VAL N N 90 127.485 127.485 125.235 2.250 19942 2582 1 5 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.116 0.721 19942 2583 1 5 . 1 1 90 90 VAL C C 90 176.460 176.460 174.675 1.785 19942 2584 1 5 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.059 -1.648 19942 2585 1 5 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.588 0.071 19942 2586 1 5 . 1 1 90 90 VAL H H 90 9.139 9.139 8.442 0.697 19942 2587 1 5 . 1 1 91 91 ASN N N 91 126.674 126.674 126.017 0.657 19942 2588 1 5 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.847 -0.008 19942 2589 1 5 . 1 1 91 91 ASN C C 91 174.311 174.311 173.975 0.336 19942 2590 1 5 . 1 1 91 91 ASN CA C 91 52.779 52.779 52.089 0.690 19942 2591 1 5 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.584 -0.806 19942 2592 1 5 . 1 1 91 91 ASN H H 91 8.992 8.992 8.443 0.549 19942 2593 1 5 . 1 1 92 92 LYS N N 92 122.622 122.622 125.518 -2.896 19942 2594 1 5 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.449 -0.031 19942 2595 1 5 . 1 1 92 92 LYS C C 92 176.757 176.757 176.455 0.302 19942 2596 1 5 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.956 -0.486 19942 2597 1 5 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.917 0.385 19942 2598 1 5 . 1 1 92 92 LYS H H 92 8.556 8.556 8.566 -0.010 19942 2599 1 5 . 1 1 93 93 THR N N 93 119.358 119.358 113.576 5.782 19942 2600 1 5 . 1 1 93 93 THR HA H 93 4.315 4.315 4.302 0.013 19942 2601 1 5 . 1 1 93 93 THR C C 93 174.018 174.018 174.962 -0.944 19942 2602 1 5 . 1 1 93 93 THR CA C 93 62.060 62.060 63.065 -1.005 19942 2603 1 5 . 1 1 93 93 THR CB C 93 69.715 69.715 69.369 0.346 19942 2604 1 5 . 1 1 93 93 THR H H 93 8.439 8.439 8.350 0.089 19942 2605 1 5 . 1 1 94 94 ASP N N 94 124.142 124.142 123.052 1.090 19942 2606 1 5 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.667 -0.002 19942 2607 1 5 . 1 1 94 94 ASP C C 94 175.464 175.464 176.353 -0.889 19942 2608 1 5 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.629 0.886 19942 2609 1 5 . 1 1 94 94 ASP CB C 94 41.117 41.117 39.769 1.348 19942 2610 1 5 . 1 1 94 94 ASP H H 94 8.583 8.583 8.115 0.468 19942 2611 1 6 . 1 1 3 3 ALA N N 3 123.810 123.810 126.555 -2.745 19942 2612 1 6 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.339 -0.130 19942 2613 1 6 . 1 1 3 3 ALA C C 3 177.476 177.476 177.567 -0.091 19942 2614 1 6 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.071 0.379 19942 2615 1 6 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.622 -0.104 19942 2616 1 6 . 1 1 3 3 ALA H H 3 8.387 8.387 8.504 -0.117 19942 2617 1 6 . 1 1 4 4 THR N N 4 113.060 113.060 117.594 -4.534 19942 2618 1 6 . 1 1 4 4 THR HA H 4 4.621 4.621 4.460 0.161 19942 2619 1 6 . 1 1 4 4 THR C C 4 174.426 174.426 173.235 1.191 19942 2620 1 6 . 1 1 4 4 THR CA C 4 60.020 60.020 61.944 -1.923 19942 2621 1 6 . 1 1 4 4 THR CB C 4 71.041 71.041 69.977 1.064 19942 2622 1 6 . 1 1 4 4 THR H H 4 8.593 8.593 8.632 -0.039 19942 2623 1 6 . 1 1 5 5 LEU N N 5 125.889 125.889 123.135 2.754 19942 2624 1 6 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.082 -0.646 19942 2625 1 6 . 1 1 5 5 LEU C C 5 175.432 175.432 176.027 -0.595 19942 2626 1 6 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.867 1.324 19942 2627 1 6 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.274 -1.015 19942 2628 1 6 . 1 1 5 5 LEU H H 5 8.888 8.888 8.400 0.488 19942 2629 1 6 . 1 1 6 6 SER N N 6 123.564 123.564 123.296 0.268 19942 2630 1 6 . 1 1 6 6 SER HA H 6 4.574 4.574 4.388 0.186 19942 2631 1 6 . 1 1 6 6 SER C C 6 174.217 174.217 174.240 -0.023 19942 2632 1 6 . 1 1 6 6 SER CA C 6 59.688 59.688 60.193 -0.505 19942 2633 1 6 . 1 1 6 6 SER CB C 6 64.300 64.300 63.914 0.386 19942 2634 1 6 . 1 1 6 6 SER H H 6 9.155 9.155 8.997 0.158 19942 2635 1 6 . 1 1 7 7 SER N N 7 112.212 112.212 111.728 0.484 19942 2636 1 6 . 1 1 7 7 SER HA H 7 4.499 4.499 4.621 -0.122 19942 2637 1 6 . 1 1 7 7 SER C C 7 171.592 171.592 172.178 -0.586 19942 2638 1 6 . 1 1 7 7 SER CA C 7 57.676 57.676 57.459 0.217 19942 2639 1 6 . 1 1 7 7 SER CB C 7 64.795 64.795 65.019 -0.224 19942 2640 1 6 . 1 1 7 7 SER H H 7 7.913 7.913 7.716 0.197 19942 2641 1 6 . 1 1 8 8 ILE N N 8 120.132 120.132 120.550 -0.418 19942 2642 1 6 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.355 0.306 19942 2643 1 6 . 1 1 8 8 ILE C C 8 174.094 174.094 174.672 -0.578 19942 2644 1 6 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.035 0.283 19942 2645 1 6 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.606 2.320 19942 2646 1 6 . 1 1 8 8 ILE H H 8 8.628 8.628 8.247 0.381 19942 2647 1 6 . 1 1 9 9 SER N N 9 120.939 120.939 124.066 -3.127 19942 2648 1 6 . 1 1 9 9 SER HA H 9 4.907 4.907 4.861 0.046 19942 2649 1 6 . 1 1 9 9 SER C C 9 173.176 173.176 172.828 0.348 19942 2650 1 6 . 1 1 9 9 SER CA C 9 56.291 56.291 57.077 -0.786 19942 2651 1 6 . 1 1 9 9 SER CB C 9 65.325 65.325 66.588 -1.263 19942 2652 1 6 . 1 1 9 9 SER H H 9 8.761 8.761 9.047 -0.286 19942 2653 1 6 . 1 1 10 10 ILE N N 10 126.047 126.047 122.533 3.514 19942 2654 1 6 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.511 0.966 19942 2655 1 6 . 1 1 10 10 ILE C C 10 175.259 175.259 176.167 -0.908 19942 2656 1 6 . 1 1 10 10 ILE CA C 10 59.092 59.092 58.809 0.282 19942 2657 1 6 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.146 1.696 19942 2658 1 6 . 1 1 10 10 ILE H H 10 8.852 8.852 8.462 0.390 19942 2659 1 6 . 1 1 11 11 SER N N 11 122.938 122.938 122.650 0.288 19942 2660 1 6 . 1 1 11 11 SER HA H 11 4.704 4.704 4.917 -0.213 19942 2661 1 6 . 1 1 11 11 SER C C 11 170.288 170.288 173.260 -2.972 19942 2662 1 6 . 1 1 11 11 SER CA C 11 55.401 55.401 56.303 -0.902 19942 2663 1 6 . 1 1 11 11 SER CB C 11 65.248 65.248 64.325 0.923 19942 2664 1 6 . 1 1 11 11 SER H H 11 9.108 9.108 9.223 -0.115 19942 2665 1 6 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.320 0.377 19942 2666 1 6 . 1 1 12 12 PRO C C 12 175.467 175.467 176.694 -1.227 19942 2667 1 6 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.815 -2.358 19942 2668 1 6 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.157 2.749 19942 2669 1 6 . 1 1 13 13 ILE N N 13 118.003 118.003 119.311 -1.308 19942 2670 1 6 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.049 0.302 19942 2671 1 6 . 1 1 13 13 ILE C C 13 176.535 176.535 177.235 -0.700 19942 2672 1 6 . 1 1 13 13 ILE CA C 13 61.092 61.092 61.640 -0.548 19942 2673 1 6 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.772 0.461 19942 2674 1 6 . 1 1 13 13 ILE H H 13 8.233 8.233 8.494 -0.261 19942 2675 1 6 . 1 1 14 14 ASN N N 14 122.727 122.727 121.736 0.991 19942 2676 1 6 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.550 0.226 19942 2677 1 6 . 1 1 14 14 ASN C C 14 175.286 175.286 175.949 -0.663 19942 2678 1 6 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.390 -1.804 19942 2679 1 6 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.460 -0.964 19942 2680 1 6 . 1 1 14 14 ASN H H 14 8.501 8.501 8.613 -0.112 19942 2681 1 6 . 1 1 15 15 THR N N 15 114.899 114.899 112.001 2.898 19942 2682 1 6 . 1 1 15 15 THR HA H 15 4.587 4.587 4.466 0.121 19942 2683 1 6 . 1 1 15 15 THR C C 15 173.339 173.339 172.332 1.007 19942 2684 1 6 . 1 1 15 15 THR CA C 15 61.059 61.059 61.786 -0.727 19942 2685 1 6 . 1 1 15 15 THR CB C 15 69.683 69.683 69.161 0.522 19942 2686 1 6 . 1 1 15 15 THR H H 15 8.878 8.878 7.938 0.940 19942 2687 1 6 . 1 1 16 16 ASN N N 16 119.994 119.994 124.258 -4.264 19942 2688 1 6 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.480 0.334 19942 2689 1 6 . 1 1 16 16 ASN C C 16 173.995 173.995 173.298 0.697 19942 2690 1 6 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.579 -0.193 19942 2691 1 6 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.632 -1.252 19942 2692 1 6 . 1 1 16 16 ASN H H 16 8.293 8.293 8.198 0.095 19942 2693 1 6 . 1 1 17 17 ILE N N 17 118.356 118.356 121.548 -3.192 19942 2694 1 6 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.379 0.344 19942 2695 1 6 . 1 1 17 17 ILE C C 17 173.556 173.556 173.855 -0.299 19942 2696 1 6 . 1 1 17 17 ILE CA C 17 59.491 59.491 59.122 0.369 19942 2697 1 6 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.491 0.946 19942 2698 1 6 . 1 1 17 17 ILE H H 17 8.962 8.962 8.114 0.848 19942 2699 1 6 . 1 1 18 18 ASN N N 18 122.798 122.798 122.999 -0.201 19942 2700 1 6 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.948 0.591 19942 2701 1 6 . 1 1 18 18 ASN C C 18 176.607 176.607 174.569 2.038 19942 2702 1 6 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.742 -0.450 19942 2703 1 6 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.167 -0.824 19942 2704 1 6 . 1 1 18 18 ASN H H 18 8.404 8.404 8.367 0.037 19942 2705 1 6 . 1 1 19 19 THR C C 19 175.737 175.737 174.736 1.001 19942 2706 1 6 . 1 1 19 19 THR CA C 19 62.695 62.695 63.765 -1.070 19942 2707 1 6 . 1 1 19 19 THR CB C 19 68.758 68.758 68.770 -0.012 19942 2708 1 6 . 1 1 20 20 THR N N 20 113.750 113.750 118.915 -5.165 19942 2709 1 6 . 1 1 20 20 THR HA H 20 4.281 4.281 4.025 0.256 19942 2710 1 6 . 1 1 20 20 THR C C 20 173.630 173.630 173.275 0.355 19942 2711 1 6 . 1 1 20 20 THR CA C 20 64.559 64.559 63.733 0.826 19942 2712 1 6 . 1 1 20 20 THR CB C 20 69.925 69.925 68.181 1.744 19942 2713 1 6 . 1 1 20 20 THR H H 20 8.400 8.400 8.562 -0.162 19942 2714 1 6 . 1 1 21 21 VAL N N 21 124.237 124.237 122.364 1.873 19942 2715 1 6 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.256 -0.008 19942 2716 1 6 . 1 1 21 21 VAL C C 21 175.464 175.464 175.270 0.194 19942 2717 1 6 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.818 1.455 19942 2718 1 6 . 1 1 21 21 VAL H H 21 7.953 7.953 7.643 0.310 19942 2719 1 6 . 1 1 22 22 SER HA H 22 5.542 5.542 4.775 0.767 19942 2720 1 6 . 1 1 22 22 SER C C 22 173.145 173.145 173.841 -0.696 19942 2721 1 6 . 1 1 22 22 SER CA C 22 58.153 58.153 58.127 0.026 19942 2722 1 6 . 1 1 22 22 SER CB C 22 64.768 64.768 63.775 0.993 19942 2723 1 6 . 1 1 23 23 LYS N N 23 124.177 124.177 125.381 -1.204 19942 2724 1 6 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.449 0.061 19942 2725 1 6 . 1 1 23 23 LYS C C 23 173.847 173.847 173.848 -0.001 19942 2726 1 6 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.420 -0.469 19942 2727 1 6 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.367 1.549 19942 2728 1 6 . 1 1 23 23 LYS H H 23 9.372 9.372 8.015 1.357 19942 2729 1 6 . 1 1 24 24 GLN N N 24 128.777 128.777 125.403 3.374 19942 2730 1 6 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.385 -0.701 19942 2731 1 6 . 1 1 24 24 GLN C C 24 173.229 173.229 174.045 -0.816 19942 2732 1 6 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.934 2.194 19942 2733 1 6 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.321 -1.803 19942 2734 1 6 . 1 1 24 24 GLN H H 24 8.742 8.742 8.253 0.489 19942 2735 1 6 . 1 1 25 25 PHE N N 25 128.481 128.481 118.753 9.728 19942 2736 1 6 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.493 0.512 19942 2737 1 6 . 1 1 25 25 PHE C C 25 174.268 174.268 173.424 0.844 19942 2738 1 6 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.311 2.047 19942 2739 1 6 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.254 0.579 19942 2740 1 6 . 1 1 25 25 PHE H H 25 7.728 7.728 6.489 1.239 19942 2741 1 6 . 1 1 26 26 PHE N N 26 114.641 114.641 118.588 -3.947 19942 2742 1 6 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.127 0.400 19942 2743 1 6 . 1 1 26 26 PHE C C 26 175.679 175.679 175.328 0.351 19942 2744 1 6 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.690 0.462 19942 2745 1 6 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.046 0.691 19942 2746 1 6 . 1 1 26 26 PHE H H 26 9.354 9.354 7.805 1.549 19942 2747 1 6 . 1 1 27 27 ALA N N 27 123.352 123.352 124.861 -1.509 19942 2748 1 6 . 1 1 27 27 ALA HA H 27 5.205 5.205 4.988 0.217 19942 2749 1 6 . 1 1 27 27 ALA C C 27 174.966 174.966 175.636 -0.670 19942 2750 1 6 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.777 -0.831 19942 2751 1 6 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.219 0.671 19942 2752 1 6 . 1 1 27 27 ALA H H 27 8.935 8.935 9.755 -0.820 19942 2753 1 6 . 1 1 28 28 VAL N N 28 122.875 122.875 124.446 -1.571 19942 2754 1 6 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.504 0.163 19942 2755 1 6 . 1 1 28 28 VAL C C 28 177.371 177.371 175.073 2.298 19942 2756 1 6 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.876 0.338 19942 2757 1 6 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.406 -0.111 19942 2758 1 6 . 1 1 28 28 VAL H H 28 8.933 8.933 8.883 0.050 19942 2759 1 6 . 1 1 29 29 GLY N N 29 118.628 118.628 114.402 4.226 19942 2760 1 6 . 1 1 29 29 GLY C C 29 171.637 171.637 172.471 -0.834 19942 2761 1 6 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.684 1.372 19942 2762 1 6 . 1 1 29 29 GLY H H 29 9.852 9.852 8.365 1.487 19942 2763 1 6 . 1 1 30 30 THR N N 30 119.749 119.749 119.379 0.370 19942 2764 1 6 . 1 1 30 30 THR HA H 30 5.033 5.033 5.163 -0.130 19942 2765 1 6 . 1 1 30 30 THR C C 30 173.854 173.854 173.574 0.280 19942 2766 1 6 . 1 1 30 30 THR CA C 30 62.384 62.384 61.745 0.639 19942 2767 1 6 . 1 1 30 30 THR CB C 30 69.631 69.631 70.994 -1.363 19942 2768 1 6 . 1 1 30 30 THR H H 30 8.632 8.632 7.957 0.675 19942 2769 1 6 . 1 1 31 31 TYR N N 31 126.778 126.778 125.865 0.913 19942 2770 1 6 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.841 0.178 19942 2771 1 6 . 1 1 31 31 TYR C C 31 179.438 179.438 178.058 1.380 19942 2772 1 6 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.757 0.255 19942 2773 1 6 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.675 1.195 19942 2774 1 6 . 1 1 31 31 TYR H H 31 9.411 9.411 9.457 -0.046 19942 2775 1 6 . 1 1 32 32 SER N N 32 118.249 118.249 118.629 -0.380 19942 2776 1 6 . 1 1 32 32 SER HA H 32 4.112 4.112 4.204 -0.092 19942 2777 1 6 . 1 1 32 32 SER C C 32 174.175 174.175 175.410 -1.235 19942 2778 1 6 . 1 1 32 32 SER CA C 32 61.407 61.407 61.233 0.174 19942 2779 1 6 . 1 1 32 32 SER CB C 32 62.779 62.779 63.072 -0.293 19942 2780 1 6 . 1 1 32 32 SER H H 32 9.767 9.767 8.705 1.062 19942 2781 1 6 . 1 1 33 33 ASP N N 33 119.614 119.614 120.364 -0.750 19942 2782 1 6 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.695 0.039 19942 2783 1 6 . 1 1 33 33 ASP C C 33 177.097 177.097 177.089 0.008 19942 2784 1 6 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.172 -1.496 19942 2785 1 6 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.161 0.360 19942 2786 1 6 . 1 1 33 33 ASP H H 33 7.702 7.702 8.051 -0.349 19942 2787 1 6 . 1 1 34 34 GLY N N 34 108.749 108.749 107.608 1.141 19942 2788 1 6 . 1 1 34 34 GLY C C 34 174.828 174.828 174.502 0.326 19942 2789 1 6 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.445 -0.152 19942 2790 1 6 . 1 1 34 34 GLY H H 34 8.420 8.420 8.406 0.014 19942 2791 1 6 . 1 1 35 35 THR N N 35 113.544 113.544 116.983 -3.439 19942 2792 1 6 . 1 1 35 35 THR HA H 35 4.297 4.297 4.402 -0.105 19942 2793 1 6 . 1 1 35 35 THR C C 35 173.074 173.074 173.609 -0.535 19942 2794 1 6 . 1 1 35 35 THR CA C 35 62.762 62.762 63.234 -0.472 19942 2795 1 6 . 1 1 35 35 THR CB C 35 71.079 71.079 69.919 1.160 19942 2796 1 6 . 1 1 35 35 THR H H 35 7.863 7.863 7.828 0.035 19942 2797 1 6 . 1 1 36 36 LYS N N 36 118.248 118.248 124.028 -5.780 19942 2798 1 6 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.401 0.526 19942 2799 1 6 . 1 1 36 36 LYS C C 36 176.847 176.847 175.479 1.368 19942 2800 1 6 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.115 -0.585 19942 2801 1 6 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.853 1.069 19942 2802 1 6 . 1 1 36 36 LYS H H 36 8.374 8.374 8.564 -0.190 19942 2803 1 6 . 1 1 37 37 ALA N N 37 121.621 121.621 125.214 -3.593 19942 2804 1 6 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.549 0.119 19942 2805 1 6 . 1 1 37 37 ALA C C 37 175.556 175.556 174.646 0.910 19942 2806 1 6 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.856 -0.479 19942 2807 1 6 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.658 1.879 19942 2808 1 6 . 1 1 37 37 ALA H H 37 8.892 8.892 8.477 0.415 19942 2809 1 6 . 1 1 38 38 ASP N N 38 121.602 121.602 120.880 0.722 19942 2810 1 6 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.094 -0.234 19942 2811 1 6 . 1 1 38 38 ASP C C 38 176.487 176.487 176.840 -0.353 19942 2812 1 6 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.065 1.169 19942 2813 1 6 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.148 -0.373 19942 2814 1 6 . 1 1 38 38 ASP H H 38 8.983 8.983 8.514 0.469 19942 2815 1 6 . 1 1 39 39 LEU N N 39 128.342 128.342 127.450 0.892 19942 2816 1 6 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.686 0.175 19942 2817 1 6 . 1 1 39 39 LEU C C 39 177.565 177.565 177.734 -0.169 19942 2818 1 6 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.159 -0.569 19942 2819 1 6 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.822 2.111 19942 2820 1 6 . 1 1 39 39 LEU H H 39 9.218 9.218 8.446 0.772 19942 2821 1 6 . 1 1 40 40 THR N N 40 122.567 122.567 117.276 5.291 19942 2822 1 6 . 1 1 40 40 THR HA H 40 4.526 4.526 4.422 0.104 19942 2823 1 6 . 1 1 40 40 THR C C 40 174.562 174.562 176.357 -1.795 19942 2824 1 6 . 1 1 40 40 THR CA C 40 69.870 69.870 67.865 2.005 19942 2825 1 6 . 1 1 40 40 THR CB C 40 69.268 69.268 68.939 0.329 19942 2826 1 6 . 1 1 40 40 THR H H 40 8.983 8.983 8.653 0.330 19942 2827 1 6 . 1 1 41 41 SER N N 41 109.895 109.895 113.616 -3.721 19942 2828 1 6 . 1 1 41 41 SER HA H 41 4.465 4.465 4.568 -0.103 19942 2829 1 6 . 1 1 41 41 SER C C 41 174.686 174.686 176.044 -1.358 19942 2830 1 6 . 1 1 41 41 SER CA C 41 59.960 59.960 60.097 -0.137 19942 2831 1 6 . 1 1 41 41 SER CB C 41 63.643 63.643 62.918 0.725 19942 2832 1 6 . 1 1 41 41 SER H H 41 8.749 8.749 8.609 0.140 19942 2833 1 6 . 1 1 42 42 SER N N 42 117.037 117.037 118.160 -1.123 19942 2834 1 6 . 1 1 42 42 SER HA H 42 4.706 4.706 4.883 -0.177 19942 2835 1 6 . 1 1 42 42 SER C C 42 175.240 175.240 174.378 0.862 19942 2836 1 6 . 1 1 42 42 SER CA C 42 59.742 59.742 59.549 0.193 19942 2837 1 6 . 1 1 42 42 SER CB C 42 64.724 64.724 64.629 0.095 19942 2838 1 6 . 1 1 42 42 SER H H 42 8.056 8.056 8.252 -0.196 19942 2839 1 6 . 1 1 43 43 VAL N N 43 113.914 113.914 118.437 -4.523 19942 2840 1 6 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.669 -0.357 19942 2841 1 6 . 1 1 43 43 VAL C C 43 174.501 174.501 175.270 -0.769 19942 2842 1 6 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.695 0.377 19942 2843 1 6 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.949 -0.551 19942 2844 1 6 . 1 1 43 43 VAL H H 43 7.498 7.498 8.291 -0.793 19942 2845 1 6 . 1 1 44 44 THR N N 44 116.194 116.194 119.781 -3.587 19942 2846 1 6 . 1 1 44 44 THR HA H 44 4.515 4.515 4.743 -0.228 19942 2847 1 6 . 1 1 44 44 THR C C 44 175.110 175.110 174.084 1.026 19942 2848 1 6 . 1 1 44 44 THR CA C 44 62.468 62.468 61.460 1.008 19942 2849 1 6 . 1 1 44 44 THR CB C 44 69.914 69.914 69.978 -0.064 19942 2850 1 6 . 1 1 44 44 THR H H 44 9.020 9.020 8.460 0.560 19942 2851 1 6 . 1 1 45 45 TRP N N 45 133.716 133.716 128.277 5.439 19942 2852 1 6 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.827 0.557 19942 2853 1 6 . 1 1 45 45 TRP C C 45 176.565 176.565 176.344 0.221 19942 2854 1 6 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.800 -0.066 19942 2855 1 6 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.635 0.860 19942 2856 1 6 . 1 1 45 45 TRP H H 45 9.667 9.667 8.707 0.960 19942 2857 1 6 . 1 1 46 46 SER N N 46 117.142 117.142 118.664 -1.522 19942 2858 1 6 . 1 1 46 46 SER HA H 46 4.620 4.620 4.883 -0.263 19942 2859 1 6 . 1 1 46 46 SER C C 46 171.333 171.333 172.458 -1.125 19942 2860 1 6 . 1 1 46 46 SER CA C 46 58.013 58.013 57.613 0.400 19942 2861 1 6 . 1 1 46 46 SER CB C 46 65.605 65.605 67.069 -1.464 19942 2862 1 6 . 1 1 46 46 SER H H 46 10.001 10.001 8.262 1.739 19942 2863 1 6 . 1 1 47 47 SER N N 47 112.791 112.791 115.540 -2.749 19942 2864 1 6 . 1 1 47 47 SER HA H 47 5.530 5.530 5.307 0.223 19942 2865 1 6 . 1 1 47 47 SER C C 47 176.141 176.141 175.267 0.874 19942 2866 1 6 . 1 1 47 47 SER CA C 47 53.591 53.591 56.125 -2.534 19942 2867 1 6 . 1 1 47 47 SER CB C 47 66.167 66.167 64.844 1.323 19942 2868 1 6 . 1 1 47 47 SER H H 47 8.594 8.594 8.369 0.225 19942 2869 1 6 . 1 1 48 48 SER N N 48 122.562 122.562 118.711 3.851 19942 2870 1 6 . 1 1 48 48 SER HA H 48 4.289 4.289 4.377 -0.088 19942 2871 1 6 . 1 1 48 48 SER C C 48 174.767 174.767 175.552 -0.785 19942 2872 1 6 . 1 1 48 48 SER CA C 48 60.419 60.419 60.370 0.049 19942 2873 1 6 . 1 1 48 48 SER CB C 48 62.630 62.630 63.612 -0.982 19942 2874 1 6 . 1 1 48 48 SER H H 48 9.685 9.685 8.573 1.112 19942 2875 1 6 . 1 1 49 49 ASN N N 49 118.253 118.253 121.833 -3.580 19942 2876 1 6 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.907 -0.174 19942 2877 1 6 . 1 1 49 49 ASN C C 49 175.845 175.845 175.482 0.363 19942 2878 1 6 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.560 1.006 19942 2879 1 6 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.600 0.484 19942 2880 1 6 . 1 1 49 49 ASN H H 49 8.006 8.006 7.719 0.287 19942 2881 1 6 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.522 0.022 19942 2882 1 6 . 1 1 50 50 GLN C C 50 175.944 175.944 176.652 -0.708 19942 2883 1 6 . 1 1 50 50 GLN CA C 50 57.462 57.462 57.289 0.173 19942 2884 1 6 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.805 0.108 19942 2885 1 6 . 1 1 51 51 SER N N 51 113.229 113.229 114.101 -0.872 19942 2886 1 6 . 1 1 51 51 SER HA H 51 4.302 4.302 4.382 -0.080 19942 2887 1 6 . 1 1 51 51 SER C C 51 173.524 173.524 175.750 -2.226 19942 2888 1 6 . 1 1 51 51 SER CA C 51 59.973 59.973 60.526 -0.554 19942 2889 1 6 . 1 1 51 51 SER CB C 51 62.832 62.832 63.357 -0.525 19942 2890 1 6 . 1 1 51 51 SER H H 51 8.205 8.205 8.284 -0.079 19942 2891 1 6 . 1 1 52 52 GLN N N 52 116.510 116.510 118.169 -1.659 19942 2892 1 6 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.446 0.112 19942 2893 1 6 . 1 1 52 52 GLN C C 52 176.697 176.697 173.663 3.034 19942 2894 1 6 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.627 0.489 19942 2895 1 6 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.701 -0.117 19942 2896 1 6 . 1 1 52 52 GLN H H 52 7.277 7.277 8.329 -1.052 19942 2897 1 6 . 1 1 53 53 ALA N N 53 119.325 119.325 119.772 -0.447 19942 2898 1 6 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.530 0.378 19942 2899 1 6 . 1 1 53 53 ALA C C 53 174.225 174.225 175.082 -0.857 19942 2900 1 6 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.627 0.751 19942 2901 1 6 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.276 -0.180 19942 2902 1 6 . 1 1 53 53 ALA H H 53 8.150 8.150 7.009 1.141 19942 2903 1 6 . 1 1 54 54 LYS N N 54 120.764 120.764 119.929 0.835 19942 2904 1 6 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.757 0.152 19942 2905 1 6 . 1 1 54 54 LYS C C 54 173.892 173.892 174.537 -0.645 19942 2906 1 6 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.306 -1.544 19942 2907 1 6 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.787 -0.679 19942 2908 1 6 . 1 1 54 54 LYS H H 54 8.397 8.397 8.028 0.369 19942 2909 1 6 . 1 1 55 55 VAL N N 55 118.409 118.409 124.389 -5.980 19942 2910 1 6 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.408 0.525 19942 2911 1 6 . 1 1 55 55 VAL C C 55 172.770 172.770 174.732 -1.962 19942 2912 1 6 . 1 1 55 55 VAL CA C 55 58.070 58.070 60.903 -2.833 19942 2913 1 6 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.447 2.427 19942 2914 1 6 . 1 1 55 55 VAL H H 55 8.748 8.748 8.612 0.136 19942 2915 1 6 . 1 1 56 56 SER N N 56 119.976 119.976 124.962 -4.986 19942 2916 1 6 . 1 1 56 56 SER HA H 56 4.364 4.364 4.727 -0.363 19942 2917 1 6 . 1 1 56 56 SER C C 56 174.635 174.635 172.770 1.865 19942 2918 1 6 . 1 1 56 56 SER CA C 56 57.399 57.399 57.842 -0.443 19942 2919 1 6 . 1 1 56 56 SER CB C 56 63.633 63.633 64.085 -0.452 19942 2920 1 6 . 1 1 56 56 SER H H 56 7.851 7.851 8.493 -0.642 19942 2921 1 6 . 1 1 57 57 ASN N N 57 124.627 124.627 124.054 0.573 19942 2922 1 6 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.901 0.356 19942 2923 1 6 . 1 1 57 57 ASN C C 57 174.450 174.450 174.415 0.035 19942 2924 1 6 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.002 1.387 19942 2925 1 6 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.888 1.642 19942 2926 1 6 . 1 1 57 57 ASN H H 57 9.190 9.190 8.252 0.938 19942 2927 1 6 . 1 1 58 58 ALA N N 58 127.007 127.007 125.347 1.660 19942 2928 1 6 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.501 -0.163 19942 2929 1 6 . 1 1 58 58 ALA C C 58 178.628 178.628 177.970 0.658 19942 2930 1 6 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.352 0.876 19942 2931 1 6 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.262 -1.353 19942 2932 1 6 . 1 1 58 58 ALA H H 58 8.121 8.121 8.800 -0.679 19942 2933 1 6 . 1 1 59 59 SER N N 59 116.407 116.407 114.358 2.049 19942 2934 1 6 . 1 1 59 59 SER HA H 59 4.888 4.888 4.256 0.632 19942 2935 1 6 . 1 1 59 59 SER C C 59 176.729 176.729 176.935 -0.206 19942 2936 1 6 . 1 1 59 59 SER CA C 59 62.500 62.500 61.617 0.883 19942 2937 1 6 . 1 1 59 59 SER CB C 59 63.113 63.113 63.090 0.023 19942 2938 1 6 . 1 1 59 59 SER H H 59 8.767 8.767 8.609 0.158 19942 2939 1 6 . 1 1 60 60 GLU N N 60 117.093 117.093 120.064 -2.971 19942 2940 1 6 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.357 -0.125 19942 2941 1 6 . 1 1 60 60 GLU C C 60 177.467 177.467 177.144 0.323 19942 2942 1 6 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.234 0.482 19942 2943 1 6 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.589 0.022 19942 2944 1 6 . 1 1 60 60 GLU H H 60 9.190 9.190 8.851 0.339 19942 2945 1 6 . 1 1 61 61 THR N N 61 107.270 107.270 107.078 0.192 19942 2946 1 6 . 1 1 61 61 THR HA H 61 4.820 4.820 4.505 0.315 19942 2947 1 6 . 1 1 61 61 THR C C 61 173.068 173.068 174.292 -1.224 19942 2948 1 6 . 1 1 61 61 THR CA C 61 59.191 59.191 60.268 -1.077 19942 2949 1 6 . 1 1 61 61 THR CB C 61 69.219 69.219 69.395 -0.176 19942 2950 1 6 . 1 1 61 61 THR H H 61 7.369 7.369 7.242 0.127 19942 2951 1 6 . 1 1 62 62 LYS N N 62 122.917 122.917 123.503 -0.586 19942 2952 1 6 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.149 -0.463 19942 2953 1 6 . 1 1 62 62 LYS C C 62 178.225 178.225 177.079 1.146 19942 2954 1 6 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.133 -0.012 19942 2955 1 6 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.309 0.980 19942 2956 1 6 . 1 1 62 62 LYS H H 62 6.924 6.924 7.195 -0.271 19942 2957 1 6 . 1 1 63 63 GLY N N 63 111.784 111.784 109.880 1.904 19942 2958 1 6 . 1 1 63 63 GLY C C 63 171.831 171.831 172.411 -0.580 19942 2959 1 6 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.434 -0.079 19942 2960 1 6 . 1 1 63 63 GLY H H 63 7.966 7.966 8.703 -0.737 19942 2961 1 6 . 1 1 64 64 LEU N N 64 120.854 120.854 120.729 0.125 19942 2962 1 6 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.389 -0.329 19942 2963 1 6 . 1 1 64 64 LEU C C 64 176.666 176.666 174.377 2.289 19942 2964 1 6 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.999 1.564 19942 2965 1 6 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.160 -1.087 19942 2966 1 6 . 1 1 64 64 LEU H H 64 7.785 7.785 7.559 0.226 19942 2967 1 6 . 1 1 65 65 VAL N N 65 135.184 135.184 126.115 9.069 19942 2968 1 6 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.403 0.233 19942 2969 1 6 . 1 1 65 65 VAL C C 65 174.956 174.956 174.702 0.254 19942 2970 1 6 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.604 0.719 19942 2971 1 6 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.765 -2.769 19942 2972 1 6 . 1 1 65 65 VAL H H 65 8.973 8.973 7.986 0.987 19942 2973 1 6 . 1 1 66 66 THR N N 66 121.955 121.955 118.157 3.798 19942 2974 1 6 . 1 1 66 66 THR HA H 66 4.774 4.774 4.655 0.119 19942 2975 1 6 . 1 1 66 66 THR C C 66 174.266 174.266 174.066 0.200 19942 2976 1 6 . 1 1 66 66 THR CA C 66 61.225 61.225 60.245 0.980 19942 2977 1 6 . 1 1 66 66 THR CB C 66 71.190 71.190 70.207 0.983 19942 2978 1 6 . 1 1 66 66 THR H H 66 8.947 8.947 8.135 0.812 19942 2979 1 6 . 1 1 67 67 GLY N N 67 114.304 114.304 113.518 0.786 19942 2980 1 6 . 1 1 67 67 GLY C C 67 172.326 172.326 174.329 -2.003 19942 2981 1 6 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.837 2.395 19942 2982 1 6 . 1 1 67 67 GLY H H 67 9.201 9.201 8.342 0.859 19942 2983 1 6 . 1 1 68 68 ILE N N 68 126.492 126.492 125.610 0.882 19942 2984 1 6 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.918 0.205 19942 2985 1 6 . 1 1 68 68 ILE C C 68 175.021 175.021 175.638 -0.617 19942 2986 1 6 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.589 -1.981 19942 2987 1 6 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.424 0.730 19942 2988 1 6 . 1 1 68 68 ILE H H 68 8.927 8.927 8.720 0.207 19942 2989 1 6 . 1 1 69 69 ALA N N 69 122.378 122.378 118.498 3.880 19942 2990 1 6 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.418 -0.023 19942 2991 1 6 . 1 1 69 69 ALA C C 69 174.111 174.111 175.226 -1.115 19942 2992 1 6 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.569 -0.710 19942 2993 1 6 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.951 2.106 19942 2994 1 6 . 1 1 69 69 ALA H H 69 8.413 8.413 7.485 0.928 19942 2995 1 6 . 1 1 70 70 SER N N 70 110.668 110.668 117.508 -6.840 19942 2996 1 6 . 1 1 70 70 SER HA H 70 4.013 4.013 4.641 -0.628 19942 2997 1 6 . 1 1 70 70 SER C C 70 174.180 174.180 173.816 0.364 19942 2998 1 6 . 1 1 70 70 SER CA C 70 58.620 58.620 57.399 1.221 19942 2999 1 6 . 1 1 70 70 SER CB C 70 64.114 64.114 65.277 -1.163 19942 3000 1 6 . 1 1 70 70 SER H H 70 8.109 8.109 8.027 0.082 19942 3001 1 6 . 1 1 71 71 GLY N N 71 108.506 108.506 106.835 1.671 19942 3002 1 6 . 1 1 71 71 GLY C C 71 170.868 170.868 173.154 -2.286 19942 3003 1 6 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.185 -0.842 19942 3004 1 6 . 1 1 71 71 GLY H H 71 8.055 8.055 8.882 -0.827 19942 3005 1 6 . 1 1 72 72 ASN N N 72 116.234 116.234 117.193 -0.959 19942 3006 1 6 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.435 -0.543 19942 3007 1 6 . 1 1 72 72 ASN C C 72 171.109 171.109 172.806 -1.697 19942 3008 1 6 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.809 -0.400 19942 3009 1 6 . 1 1 72 72 ASN CB C 72 39.972 39.972 41.149 -1.177 19942 3010 1 6 . 1 1 72 72 ASN H H 72 8.238 8.238 8.288 -0.050 19942 3011 1 6 . 1 1 73 73 PRO C C 73 173.522 173.522 175.665 -2.143 19942 3012 1 6 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.348 0.974 19942 3013 1 6 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.172 -1.119 19942 3014 1 6 . 1 1 74 74 THR N N 74 115.192 115.192 116.840 -1.648 19942 3015 1 6 . 1 1 74 74 THR HA H 74 4.399 4.399 4.673 -0.274 19942 3016 1 6 . 1 1 74 74 THR C C 74 173.467 173.467 173.657 -0.190 19942 3017 1 6 . 1 1 74 74 THR CA C 74 61.852 61.852 61.998 -0.146 19942 3018 1 6 . 1 1 74 74 THR CB C 74 70.609 70.609 70.756 -0.147 19942 3019 1 6 . 1 1 74 74 THR H H 74 8.775 8.775 8.099 0.676 19942 3020 1 6 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.904 -0.021 19942 3021 1 6 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.801 2.986 19942 3022 1 6 . 1 1 75 75 ILE CB C 75 36.867 36.867 37.930 -1.063 19942 3023 1 6 . 1 1 76 76 ILE N N 76 126.694 126.694 127.647 -0.953 19942 3024 1 6 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.652 0.023 19942 3025 1 6 . 1 1 76 76 ILE C C 76 173.870 173.870 174.664 -0.794 19942 3026 1 6 . 1 1 76 76 ILE CA C 76 60.543 60.543 58.366 2.177 19942 3027 1 6 . 1 1 76 76 ILE CB C 76 40.920 40.920 38.594 2.326 19942 3028 1 6 . 1 1 76 76 ILE H H 76 8.982 8.982 8.294 0.688 19942 3029 1 6 . 1 1 77 77 ALA N N 77 126.455 126.455 130.699 -4.244 19942 3030 1 6 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.813 -0.314 19942 3031 1 6 . 1 1 77 77 ALA C C 77 175.857 175.857 176.183 -0.326 19942 3032 1 6 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.798 -0.006 19942 3033 1 6 . 1 1 77 77 ALA CB C 77 21.672 21.672 20.773 0.900 19942 3034 1 6 . 1 1 77 77 ALA H H 77 8.431 8.431 8.888 -0.457 19942 3035 1 6 . 1 1 78 78 THR N N 78 116.767 116.767 122.018 -5.251 19942 3036 1 6 . 1 1 78 78 THR HA H 78 4.849 4.849 4.534 0.315 19942 3037 1 6 . 1 1 78 78 THR C C 78 173.211 173.211 172.578 0.633 19942 3038 1 6 . 1 1 78 78 THR CA C 78 61.343 61.343 62.012 -0.669 19942 3039 1 6 . 1 1 78 78 THR CB C 78 71.627 71.627 70.587 1.040 19942 3040 1 6 . 1 1 78 78 THR H H 78 8.135 8.135 8.356 -0.221 19942 3041 1 6 . 1 1 79 79 TYR N N 79 127.950 127.950 129.222 -1.272 19942 3042 1 6 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.692 -0.063 19942 3043 1 6 . 1 1 79 79 TYR C C 79 174.921 174.921 175.009 -0.088 19942 3044 1 6 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.664 0.842 19942 3045 1 6 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.480 1.092 19942 3046 1 6 . 1 1 79 79 TYR H H 79 9.136 9.136 8.932 0.204 19942 3047 1 6 . 1 1 80 80 GLY N N 80 118.393 118.393 116.587 1.806 19942 3048 1 6 . 1 1 80 80 GLY C C 80 174.902 174.902 174.693 0.209 19942 3049 1 6 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.192 0.677 19942 3050 1 6 . 1 1 80 80 GLY H H 80 8.786 8.786 8.293 0.493 19942 3051 1 6 . 1 1 81 81 SER N N 81 113.872 113.872 119.297 -5.425 19942 3052 1 6 . 1 1 81 81 SER HA H 81 4.348 4.348 4.496 -0.148 19942 3053 1 6 . 1 1 81 81 SER C C 81 173.279 173.279 173.924 -0.645 19942 3054 1 6 . 1 1 81 81 SER CA C 81 58.658 58.658 58.632 0.026 19942 3055 1 6 . 1 1 81 81 SER CB C 81 63.490 63.490 63.772 -0.282 19942 3056 1 6 . 1 1 81 81 SER H H 81 7.878 7.878 8.429 -0.551 19942 3057 1 6 . 1 1 82 82 VAL N N 82 124.320 124.320 123.962 0.358 19942 3058 1 6 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.335 -0.086 19942 3059 1 6 . 1 1 82 82 VAL C C 82 173.455 173.455 173.900 -0.445 19942 3060 1 6 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.631 0.021 19942 3061 1 6 . 1 1 82 82 VAL CB C 82 33.466 33.466 35.145 -1.679 19942 3062 1 6 . 1 1 82 82 VAL H H 82 7.845 7.845 7.464 0.381 19942 3063 1 6 . 1 1 83 83 SER N N 83 119.056 119.056 120.236 -1.180 19942 3064 1 6 . 1 1 83 83 SER HA H 83 5.507 5.507 5.122 0.385 19942 3065 1 6 . 1 1 83 83 SER C C 83 173.841 173.841 173.325 0.516 19942 3066 1 6 . 1 1 83 83 SER CA C 83 56.624 56.624 56.561 0.063 19942 3067 1 6 . 1 1 83 83 SER CB C 83 66.733 66.733 66.939 -0.206 19942 3068 1 6 . 1 1 83 83 SER H H 83 8.549 8.549 8.341 0.208 19942 3069 1 6 . 1 1 84 84 GLY N N 84 111.431 111.431 108.614 2.817 19942 3070 1 6 . 1 1 84 84 GLY C C 84 171.253 171.253 172.332 -1.079 19942 3071 1 6 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.289 -0.006 19942 3072 1 6 . 1 1 84 84 GLY H H 84 8.957 8.957 8.744 0.213 19942 3073 1 6 . 1 1 85 85 ASN N N 85 114.909 114.909 120.771 -5.862 19942 3074 1 6 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.337 0.562 19942 3075 1 6 . 1 1 85 85 ASN C C 85 174.553 174.553 174.854 -0.301 19942 3076 1 6 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.041 0.753 19942 3077 1 6 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.484 1.662 19942 3078 1 6 . 1 1 85 85 ASN H H 85 8.752 8.752 8.455 0.297 19942 3079 1 6 . 1 1 86 86 THR N N 86 114.501 114.501 114.782 -0.281 19942 3080 1 6 . 1 1 86 86 THR HA H 86 4.677 4.677 4.748 -0.071 19942 3081 1 6 . 1 1 86 86 THR C C 86 170.890 170.890 173.512 -2.622 19942 3082 1 6 . 1 1 86 86 THR CA C 86 61.715 61.715 60.626 1.089 19942 3083 1 6 . 1 1 86 86 THR CB C 86 70.636 70.636 70.965 -0.329 19942 3084 1 6 . 1 1 86 86 THR H H 86 8.922 8.922 8.249 0.673 19942 3085 1 6 . 1 1 87 87 ILE N N 87 125.857 125.857 121.647 4.210 19942 3086 1 6 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.139 0.403 19942 3087 1 6 . 1 1 87 87 ILE C C 87 175.495 175.495 174.684 0.811 19942 3088 1 6 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.723 0.520 19942 3089 1 6 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.761 0.662 19942 3090 1 6 . 1 1 87 87 ILE H H 87 8.020 8.020 8.303 -0.283 19942 3091 1 6 . 1 1 88 88 LEU N N 88 129.304 129.304 130.145 -0.841 19942 3092 1 6 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.845 -0.162 19942 3093 1 6 . 1 1 88 88 LEU C C 88 174.979 174.979 175.090 -0.111 19942 3094 1 6 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.592 0.146 19942 3095 1 6 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.200 0.436 19942 3096 1 6 . 1 1 88 88 LEU H H 88 8.797 8.797 8.142 0.655 19942 3097 1 6 . 1 1 89 89 THR N N 89 117.751 117.751 122.572 -4.821 19942 3098 1 6 . 1 1 89 89 THR HA H 89 4.749 4.749 4.578 0.171 19942 3099 1 6 . 1 1 89 89 THR C C 89 173.269 173.269 172.905 0.364 19942 3100 1 6 . 1 1 89 89 THR CA C 89 62.794 62.794 61.570 1.224 19942 3101 1 6 . 1 1 89 89 THR CB C 89 70.202 70.202 71.287 -1.085 19942 3102 1 6 . 1 1 89 89 THR H H 89 7.882 7.882 9.300 -1.418 19942 3103 1 6 . 1 1 90 90 VAL N N 90 127.485 127.485 126.385 1.100 19942 3104 1 6 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.093 0.744 19942 3105 1 6 . 1 1 90 90 VAL C C 90 176.460 176.460 174.763 1.697 19942 3106 1 6 . 1 1 90 90 VAL CA C 90 60.411 60.411 61.825 -1.414 19942 3107 1 6 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.720 0.939 19942 3108 1 6 . 1 1 90 90 VAL H H 90 9.139 9.139 8.245 0.894 19942 3109 1 6 . 1 1 91 91 ASN N N 91 126.674 126.674 125.208 1.466 19942 3110 1 6 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.930 -0.091 19942 3111 1 6 . 1 1 91 91 ASN C C 91 174.311 174.311 173.793 0.518 19942 3112 1 6 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.265 1.514 19942 3113 1 6 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.166 -1.389 19942 3114 1 6 . 1 1 91 91 ASN H H 91 8.992 8.992 7.968 1.024 19942 3115 1 6 . 1 1 92 92 LYS N N 92 122.622 122.622 121.980 0.642 19942 3116 1 6 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.457 -0.039 19942 3117 1 6 . 1 1 92 92 LYS C C 92 176.757 176.757 178.051 -1.294 19942 3118 1 6 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.662 -0.192 19942 3119 1 6 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.952 0.350 19942 3120 1 6 . 1 1 92 92 LYS H H 92 8.556 8.556 8.491 0.065 19942 3121 1 6 . 1 1 93 93 THR N N 93 119.358 119.358 121.471 -2.113 19942 3122 1 6 . 1 1 93 93 THR HA H 93 4.315 4.315 4.041 0.274 19942 3123 1 6 . 1 1 93 93 THR C C 93 174.018 174.018 174.994 -0.976 19942 3124 1 6 . 1 1 93 93 THR CA C 93 62.060 62.060 65.418 -3.358 19942 3125 1 6 . 1 1 93 93 THR CB C 93 69.715 69.715 68.971 0.744 19942 3126 1 6 . 1 1 93 93 THR H H 93 8.439 8.439 8.769 -0.330 19942 3127 1 6 . 1 1 94 94 ASP N N 94 124.142 124.142 115.895 8.247 19942 3128 1 6 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.787 -0.122 19942 3129 1 6 . 1 1 94 94 ASP C C 94 175.464 175.464 176.001 -0.537 19942 3130 1 6 . 1 1 94 94 ASP CA C 94 54.515 54.515 54.449 0.066 19942 3131 1 6 . 1 1 94 94 ASP CB C 94 41.117 41.117 42.542 -1.425 19942 3132 1 6 . 1 1 94 94 ASP H H 94 8.583 8.583 8.250 0.333 19942 3133 1 7 . 1 1 3 3 ALA N N 3 123.810 123.810 124.059 -0.249 19942 3134 1 7 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.343 -0.134 19942 3135 1 7 . 1 1 3 3 ALA C C 3 177.476 177.476 177.607 -0.131 19942 3136 1 7 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.111 0.339 19942 3137 1 7 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.523 -0.006 19942 3138 1 7 . 1 1 3 3 ALA H H 3 8.387 8.387 8.197 0.190 19942 3139 1 7 . 1 1 4 4 THR N N 4 113.060 113.060 118.513 -5.453 19942 3140 1 7 . 1 1 4 4 THR HA H 4 4.621 4.621 4.563 0.058 19942 3141 1 7 . 1 1 4 4 THR C C 4 174.426 174.426 174.552 -0.126 19942 3142 1 7 . 1 1 4 4 THR CA C 4 60.020 60.020 61.885 -1.865 19942 3143 1 7 . 1 1 4 4 THR CB C 4 71.041 71.041 70.336 0.705 19942 3144 1 7 . 1 1 4 4 THR H H 4 8.593 8.593 8.570 0.023 19942 3145 1 7 . 1 1 5 5 LEU N N 5 125.889 125.889 126.856 -0.967 19942 3146 1 7 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.006 -0.570 19942 3147 1 7 . 1 1 5 5 LEU C C 5 175.432 175.432 176.573 -1.141 19942 3148 1 7 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.791 0.400 19942 3149 1 7 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.217 -0.958 19942 3150 1 7 . 1 1 5 5 LEU H H 5 8.888 8.888 8.814 0.074 19942 3151 1 7 . 1 1 6 6 SER N N 6 123.564 123.564 123.024 0.540 19942 3152 1 7 . 1 1 6 6 SER HA H 6 4.574 4.574 4.409 0.165 19942 3153 1 7 . 1 1 6 6 SER C C 6 174.217 174.217 174.488 -0.271 19942 3154 1 7 . 1 1 6 6 SER CA C 6 59.688 59.688 59.745 -0.057 19942 3155 1 7 . 1 1 6 6 SER CB C 6 64.300 64.300 63.683 0.617 19942 3156 1 7 . 1 1 6 6 SER H H 6 9.155 9.155 9.124 0.031 19942 3157 1 7 . 1 1 7 7 SER N N 7 112.212 112.212 112.577 -0.365 19942 3158 1 7 . 1 1 7 7 SER HA H 7 4.499 4.499 4.682 -0.183 19942 3159 1 7 . 1 1 7 7 SER C C 7 171.592 171.592 172.149 -0.557 19942 3160 1 7 . 1 1 7 7 SER CA C 7 57.676 57.676 57.665 0.011 19942 3161 1 7 . 1 1 7 7 SER CB C 7 64.795 64.795 64.916 -0.121 19942 3162 1 7 . 1 1 7 7 SER H H 7 7.913 7.913 7.750 0.163 19942 3163 1 7 . 1 1 8 8 ILE N N 8 120.132 120.132 120.447 -0.315 19942 3164 1 7 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.632 0.029 19942 3165 1 7 . 1 1 8 8 ILE C C 8 174.094 174.094 174.484 -0.390 19942 3166 1 7 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.989 0.328 19942 3167 1 7 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.738 2.188 19942 3168 1 7 . 1 1 8 8 ILE H H 8 8.628 8.628 8.264 0.364 19942 3169 1 7 . 1 1 9 9 SER N N 9 120.939 120.939 123.222 -2.283 19942 3170 1 7 . 1 1 9 9 SER HA H 9 4.907 4.907 4.877 0.030 19942 3171 1 7 . 1 1 9 9 SER C C 9 173.176 173.176 172.696 0.480 19942 3172 1 7 . 1 1 9 9 SER CA C 9 56.291 56.291 56.141 0.150 19942 3173 1 7 . 1 1 9 9 SER CB C 9 65.325 65.325 65.786 -0.461 19942 3174 1 7 . 1 1 9 9 SER H H 9 8.761 8.761 9.174 -0.413 19942 3175 1 7 . 1 1 10 10 ILE N N 10 126.047 126.047 124.262 1.785 19942 3176 1 7 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.576 0.901 19942 3177 1 7 . 1 1 10 10 ILE C C 10 175.259 175.259 176.229 -0.970 19942 3178 1 7 . 1 1 10 10 ILE CA C 10 59.092 59.092 58.873 0.219 19942 3179 1 7 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.266 1.576 19942 3180 1 7 . 1 1 10 10 ILE H H 10 8.852 8.852 8.501 0.351 19942 3181 1 7 . 1 1 11 11 SER N N 11 122.938 122.938 123.368 -0.430 19942 3182 1 7 . 1 1 11 11 SER HA H 11 4.704 4.704 4.895 -0.191 19942 3183 1 7 . 1 1 11 11 SER C C 11 170.288 170.288 173.350 -3.062 19942 3184 1 7 . 1 1 11 11 SER CA C 11 55.401 55.401 56.266 -0.864 19942 3185 1 7 . 1 1 11 11 SER CB C 11 65.248 65.248 64.070 1.178 19942 3186 1 7 . 1 1 11 11 SER H H 11 9.108 9.108 8.924 0.184 19942 3187 1 7 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.347 0.350 19942 3188 1 7 . 1 1 12 12 PRO C C 12 175.467 175.467 176.018 -0.551 19942 3189 1 7 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.610 -2.154 19942 3190 1 7 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.239 2.667 19942 3191 1 7 . 1 1 13 13 ILE N N 13 118.003 118.003 119.783 -1.780 19942 3192 1 7 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.186 0.165 19942 3193 1 7 . 1 1 13 13 ILE C C 13 176.535 176.535 176.365 0.170 19942 3194 1 7 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.870 0.222 19942 3195 1 7 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.472 -0.239 19942 3196 1 7 . 1 1 13 13 ILE H H 13 8.233 8.233 8.351 -0.118 19942 3197 1 7 . 1 1 14 14 ASN N N 14 122.727 122.727 124.589 -1.862 19942 3198 1 7 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.459 0.317 19942 3199 1 7 . 1 1 14 14 ASN C C 14 175.286 175.286 174.823 0.463 19942 3200 1 7 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.060 -1.474 19942 3201 1 7 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.064 -0.568 19942 3202 1 7 . 1 1 14 14 ASN H H 14 8.501 8.501 8.830 -0.329 19942 3203 1 7 . 1 1 15 15 THR N N 15 114.899 114.899 113.108 1.791 19942 3204 1 7 . 1 1 15 15 THR HA H 15 4.587 4.587 4.382 0.205 19942 3205 1 7 . 1 1 15 15 THR C C 15 173.339 173.339 172.869 0.470 19942 3206 1 7 . 1 1 15 15 THR CA C 15 61.059 61.059 61.606 -0.547 19942 3207 1 7 . 1 1 15 15 THR CB C 15 69.683 69.683 70.271 -0.588 19942 3208 1 7 . 1 1 15 15 THR H H 15 8.878 8.878 8.209 0.669 19942 3209 1 7 . 1 1 16 16 ASN N N 16 119.994 119.994 123.275 -3.281 19942 3210 1 7 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.688 0.126 19942 3211 1 7 . 1 1 16 16 ASN C C 16 173.995 173.995 173.591 0.404 19942 3212 1 7 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.846 -0.460 19942 3213 1 7 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.403 -1.024 19942 3214 1 7 . 1 1 16 16 ASN H H 16 8.293 8.293 8.473 -0.180 19942 3215 1 7 . 1 1 17 17 ILE N N 17 118.356 118.356 122.020 -3.664 19942 3216 1 7 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.318 0.405 19942 3217 1 7 . 1 1 17 17 ILE C C 17 173.556 173.556 173.405 0.151 19942 3218 1 7 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.699 -1.208 19942 3219 1 7 . 1 1 17 17 ILE CB C 17 42.437 42.437 42.135 0.302 19942 3220 1 7 . 1 1 17 17 ILE H H 17 8.962 8.962 8.059 0.903 19942 3221 1 7 . 1 1 18 18 ASN N N 18 122.798 122.798 123.814 -1.016 19942 3222 1 7 . 1 1 18 18 ASN HA H 18 5.539 5.539 5.068 0.471 19942 3223 1 7 . 1 1 18 18 ASN C C 18 176.607 176.607 175.833 0.774 19942 3224 1 7 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.431 -0.139 19942 3225 1 7 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.005 -0.662 19942 3226 1 7 . 1 1 18 18 ASN H H 18 8.404 8.404 8.620 -0.216 19942 3227 1 7 . 1 1 19 19 THR C C 19 175.737 175.737 175.926 -0.189 19942 3228 1 7 . 1 1 19 19 THR CA C 19 62.695 62.695 63.302 -0.607 19942 3229 1 7 . 1 1 19 19 THR CB C 19 68.758 68.758 69.369 -0.611 19942 3230 1 7 . 1 1 20 20 THR N N 20 113.750 113.750 114.162 -0.412 19942 3231 1 7 . 1 1 20 20 THR HA H 20 4.281 4.281 3.806 0.475 19942 3232 1 7 . 1 1 20 20 THR C C 20 173.630 173.630 173.605 0.025 19942 3233 1 7 . 1 1 20 20 THR CA C 20 64.559 64.559 64.840 -0.281 19942 3234 1 7 . 1 1 20 20 THR CB C 20 69.925 69.925 68.966 0.959 19942 3235 1 7 . 1 1 20 20 THR H H 20 8.400 8.400 8.718 -0.318 19942 3236 1 7 . 1 1 21 21 VAL N N 21 124.237 124.237 121.212 3.025 19942 3237 1 7 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.125 0.123 19942 3238 1 7 . 1 1 21 21 VAL C C 21 175.464 175.464 174.474 0.990 19942 3239 1 7 . 1 1 21 21 VAL CA C 21 62.273 62.273 61.317 0.956 19942 3240 1 7 . 1 1 21 21 VAL H H 21 7.953 7.953 7.362 0.591 19942 3241 1 7 . 1 1 22 22 SER HA H 22 5.542 5.542 4.901 0.641 19942 3242 1 7 . 1 1 22 22 SER C C 22 173.145 173.145 173.399 -0.254 19942 3243 1 7 . 1 1 22 22 SER CA C 22 58.153 58.153 57.434 0.719 19942 3244 1 7 . 1 1 22 22 SER CB C 22 64.768 64.768 64.352 0.416 19942 3245 1 7 . 1 1 23 23 LYS N N 23 124.177 124.177 124.371 -0.194 19942 3246 1 7 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.478 0.032 19942 3247 1 7 . 1 1 23 23 LYS C C 23 173.847 173.847 174.199 -0.352 19942 3248 1 7 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.646 0.305 19942 3249 1 7 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.075 1.841 19942 3250 1 7 . 1 1 23 23 LYS H H 23 9.372 9.372 8.047 1.325 19942 3251 1 7 . 1 1 24 24 GLN N N 24 128.777 128.777 125.138 3.639 19942 3252 1 7 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.289 -0.605 19942 3253 1 7 . 1 1 24 24 GLN C C 24 173.229 173.229 174.126 -0.897 19942 3254 1 7 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.188 1.940 19942 3255 1 7 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.125 -1.607 19942 3256 1 7 . 1 1 24 24 GLN H H 24 8.742 8.742 8.266 0.476 19942 3257 1 7 . 1 1 25 25 PHE N N 25 128.481 128.481 119.139 9.342 19942 3258 1 7 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.481 0.524 19942 3259 1 7 . 1 1 25 25 PHE C C 25 174.268 174.268 173.280 0.988 19942 3260 1 7 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.708 1.650 19942 3261 1 7 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.151 0.682 19942 3262 1 7 . 1 1 25 25 PHE H H 25 7.728 7.728 6.349 1.379 19942 3263 1 7 . 1 1 26 26 PHE N N 26 114.641 114.641 118.285 -3.644 19942 3264 1 7 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.217 0.310 19942 3265 1 7 . 1 1 26 26 PHE C C 26 175.679 175.679 175.293 0.386 19942 3266 1 7 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.770 0.381 19942 3267 1 7 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.408 0.329 19942 3268 1 7 . 1 1 26 26 PHE H H 26 9.354 9.354 8.039 1.315 19942 3269 1 7 . 1 1 27 27 ALA N N 27 123.352 123.352 123.511 -0.159 19942 3270 1 7 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.107 0.098 19942 3271 1 7 . 1 1 27 27 ALA C C 27 174.966 174.966 175.675 -0.709 19942 3272 1 7 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.604 -0.658 19942 3273 1 7 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.850 0.040 19942 3274 1 7 . 1 1 27 27 ALA H H 27 8.935 8.935 9.827 -0.892 19942 3275 1 7 . 1 1 28 28 VAL N N 28 122.875 122.875 123.852 -0.977 19942 3276 1 7 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.419 0.248 19942 3277 1 7 . 1 1 28 28 VAL C C 28 177.371 177.371 174.867 2.504 19942 3278 1 7 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.879 0.335 19942 3279 1 7 . 1 1 28 28 VAL CB C 28 34.295 34.295 33.990 0.304 19942 3280 1 7 . 1 1 28 28 VAL H H 28 8.933 8.933 9.015 -0.082 19942 3281 1 7 . 1 1 29 29 GLY N N 29 118.628 118.628 114.785 3.843 19942 3282 1 7 . 1 1 29 29 GLY C C 29 171.637 171.637 171.984 -0.347 19942 3283 1 7 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.841 1.215 19942 3284 1 7 . 1 1 29 29 GLY H H 29 9.852 9.852 8.492 1.360 19942 3285 1 7 . 1 1 30 30 THR N N 30 119.749 119.749 119.885 -0.136 19942 3286 1 7 . 1 1 30 30 THR HA H 30 5.033 5.033 5.107 -0.074 19942 3287 1 7 . 1 1 30 30 THR C C 30 173.854 173.854 173.622 0.232 19942 3288 1 7 . 1 1 30 30 THR CA C 30 62.384 62.384 61.306 1.078 19942 3289 1 7 . 1 1 30 30 THR CB C 30 69.631 69.631 70.838 -1.207 19942 3290 1 7 . 1 1 30 30 THR H H 30 8.632 8.632 7.948 0.684 19942 3291 1 7 . 1 1 31 31 TYR N N 31 126.778 126.778 126.243 0.535 19942 3292 1 7 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.817 0.202 19942 3293 1 7 . 1 1 31 31 TYR C C 31 179.438 179.438 178.117 1.321 19942 3294 1 7 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.686 0.326 19942 3295 1 7 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.341 1.529 19942 3296 1 7 . 1 1 31 31 TYR H H 31 9.411 9.411 8.998 0.413 19942 3297 1 7 . 1 1 32 32 SER N N 32 118.249 118.249 118.968 -0.719 19942 3298 1 7 . 1 1 32 32 SER HA H 32 4.112 4.112 4.222 -0.110 19942 3299 1 7 . 1 1 32 32 SER C C 32 174.175 174.175 175.164 -0.989 19942 3300 1 7 . 1 1 32 32 SER CA C 32 61.407 61.407 61.041 0.366 19942 3301 1 7 . 1 1 32 32 SER CB C 32 62.779 62.779 62.879 -0.100 19942 3302 1 7 . 1 1 32 32 SER H H 32 9.767 9.767 8.644 1.123 19942 3303 1 7 . 1 1 33 33 ASP N N 33 119.614 119.614 120.431 -0.817 19942 3304 1 7 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.682 0.052 19942 3305 1 7 . 1 1 33 33 ASP C C 33 177.097 177.097 176.967 0.130 19942 3306 1 7 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.246 -1.570 19942 3307 1 7 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.145 0.376 19942 3308 1 7 . 1 1 33 33 ASP H H 33 7.702 7.702 7.908 -0.206 19942 3309 1 7 . 1 1 34 34 GLY N N 34 108.749 108.749 107.522 1.227 19942 3310 1 7 . 1 1 34 34 GLY C C 34 174.828 174.828 174.558 0.270 19942 3311 1 7 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.459 -0.166 19942 3312 1 7 . 1 1 34 34 GLY H H 34 8.420 8.420 8.442 -0.022 19942 3313 1 7 . 1 1 35 35 THR N N 35 113.544 113.544 117.113 -3.569 19942 3314 1 7 . 1 1 35 35 THR HA H 35 4.297 4.297 4.352 -0.055 19942 3315 1 7 . 1 1 35 35 THR C C 35 173.074 173.074 174.038 -0.964 19942 3316 1 7 . 1 1 35 35 THR CA C 35 62.762 62.762 63.071 -0.309 19942 3317 1 7 . 1 1 35 35 THR CB C 35 71.079 71.079 69.523 1.556 19942 3318 1 7 . 1 1 35 35 THR H H 35 7.863 7.863 7.781 0.082 19942 3319 1 7 . 1 1 36 36 LYS N N 36 118.248 118.248 125.107 -6.859 19942 3320 1 7 . 1 1 36 36 LYS HA H 36 5.927 5.927 4.902 1.025 19942 3321 1 7 . 1 1 36 36 LYS C C 36 176.847 176.847 175.680 1.167 19942 3322 1 7 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.037 -0.506 19942 3323 1 7 . 1 1 36 36 LYS CB C 36 36.923 36.923 34.717 2.206 19942 3324 1 7 . 1 1 36 36 LYS H H 36 8.374 8.374 8.532 -0.158 19942 3325 1 7 . 1 1 37 37 ALA N N 37 121.621 121.621 126.624 -5.003 19942 3326 1 7 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.536 0.132 19942 3327 1 7 . 1 1 37 37 ALA C C 37 175.556 175.556 174.625 0.931 19942 3328 1 7 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.908 -0.531 19942 3329 1 7 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.875 1.662 19942 3330 1 7 . 1 1 37 37 ALA H H 37 8.892 8.892 8.435 0.457 19942 3331 1 7 . 1 1 38 38 ASP N N 38 121.602 121.602 121.577 0.025 19942 3332 1 7 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.145 -0.285 19942 3333 1 7 . 1 1 38 38 ASP C C 38 176.487 176.487 176.584 -0.097 19942 3334 1 7 . 1 1 38 38 ASP CA C 38 55.234 55.234 53.415 1.819 19942 3335 1 7 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.854 -1.079 19942 3336 1 7 . 1 1 38 38 ASP H H 38 8.983 8.983 8.465 0.518 19942 3337 1 7 . 1 1 39 39 LEU N N 39 128.342 128.342 126.439 1.903 19942 3338 1 7 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.691 0.170 19942 3339 1 7 . 1 1 39 39 LEU C C 39 177.565 177.565 177.681 -0.116 19942 3340 1 7 . 1 1 39 39 LEU CA C 39 53.590 53.590 53.383 0.207 19942 3341 1 7 . 1 1 39 39 LEU CB C 39 43.933 43.933 40.408 3.525 19942 3342 1 7 . 1 1 39 39 LEU H H 39 9.218 9.218 8.383 0.835 19942 3343 1 7 . 1 1 40 40 THR N N 40 122.567 122.567 116.313 6.254 19942 3344 1 7 . 1 1 40 40 THR HA H 40 4.526 4.526 4.423 0.103 19942 3345 1 7 . 1 1 40 40 THR C C 40 174.562 174.562 176.255 -1.693 19942 3346 1 7 . 1 1 40 40 THR CA C 40 69.870 69.870 67.511 2.359 19942 3347 1 7 . 1 1 40 40 THR CB C 40 69.268 69.268 68.768 0.500 19942 3348 1 7 . 1 1 40 40 THR H H 40 8.983 8.983 9.055 -0.072 19942 3349 1 7 . 1 1 41 41 SER N N 41 109.895 109.895 112.361 -2.466 19942 3350 1 7 . 1 1 41 41 SER HA H 41 4.465 4.465 4.530 -0.065 19942 3351 1 7 . 1 1 41 41 SER C C 41 174.686 174.686 174.907 -0.221 19942 3352 1 7 . 1 1 41 41 SER CA C 41 59.960 59.960 60.069 -0.109 19942 3353 1 7 . 1 1 41 41 SER CB C 41 63.643 63.643 63.103 0.540 19942 3354 1 7 . 1 1 41 41 SER H H 41 8.749 8.749 8.556 0.193 19942 3355 1 7 . 1 1 42 42 SER N N 42 117.037 117.037 116.340 0.697 19942 3356 1 7 . 1 1 42 42 SER HA H 42 4.706 4.706 4.746 -0.040 19942 3357 1 7 . 1 1 42 42 SER C C 42 175.240 175.240 174.659 0.581 19942 3358 1 7 . 1 1 42 42 SER CA C 42 59.742 59.742 59.145 0.597 19942 3359 1 7 . 1 1 42 42 SER CB C 42 64.724 64.724 64.735 -0.011 19942 3360 1 7 . 1 1 42 42 SER H H 42 8.056 8.056 8.074 -0.018 19942 3361 1 7 . 1 1 43 43 VAL N N 43 113.914 113.914 119.496 -5.582 19942 3362 1 7 . 1 1 43 43 VAL HA H 43 4.312 4.312 5.068 -0.756 19942 3363 1 7 . 1 1 43 43 VAL C C 43 174.501 174.501 174.947 -0.446 19942 3364 1 7 . 1 1 43 43 VAL CA C 43 61.072 61.072 59.287 1.785 19942 3365 1 7 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.285 0.113 19942 3366 1 7 . 1 1 43 43 VAL H H 43 7.498 7.498 8.159 -0.661 19942 3367 1 7 . 1 1 44 44 THR N N 44 116.194 116.194 122.319 -6.125 19942 3368 1 7 . 1 1 44 44 THR HA H 44 4.515 4.515 4.717 -0.202 19942 3369 1 7 . 1 1 44 44 THR C C 44 175.110 175.110 174.026 1.084 19942 3370 1 7 . 1 1 44 44 THR CA C 44 62.468 62.468 62.180 0.288 19942 3371 1 7 . 1 1 44 44 THR CB C 44 69.914 69.914 70.084 -0.170 19942 3372 1 7 . 1 1 44 44 THR H H 44 9.020 9.020 8.030 0.990 19942 3373 1 7 . 1 1 45 45 TRP N N 45 133.716 133.716 129.244 4.472 19942 3374 1 7 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.861 0.523 19942 3375 1 7 . 1 1 45 45 TRP C C 45 176.565 176.565 176.413 0.152 19942 3376 1 7 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.445 0.289 19942 3377 1 7 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.475 1.020 19942 3378 1 7 . 1 1 45 45 TRP H H 45 9.667 9.667 8.902 0.765 19942 3379 1 7 . 1 1 46 46 SER N N 46 117.142 117.142 116.896 0.246 19942 3380 1 7 . 1 1 46 46 SER HA H 46 4.620 4.620 4.885 -0.265 19942 3381 1 7 . 1 1 46 46 SER C C 46 171.333 171.333 172.773 -1.440 19942 3382 1 7 . 1 1 46 46 SER CA C 46 58.013 58.013 57.150 0.863 19942 3383 1 7 . 1 1 46 46 SER CB C 46 65.605 65.605 66.382 -0.777 19942 3384 1 7 . 1 1 46 46 SER H H 46 10.001 10.001 8.412 1.589 19942 3385 1 7 . 1 1 47 47 SER N N 47 112.791 112.791 116.742 -3.951 19942 3386 1 7 . 1 1 47 47 SER HA H 47 5.530 5.530 5.193 0.337 19942 3387 1 7 . 1 1 47 47 SER C C 47 176.141 176.141 175.733 0.408 19942 3388 1 7 . 1 1 47 47 SER CA C 47 53.591 53.591 56.237 -2.646 19942 3389 1 7 . 1 1 47 47 SER CB C 47 66.167 66.167 65.830 0.337 19942 3390 1 7 . 1 1 47 47 SER H H 47 8.594 8.594 8.560 0.034 19942 3391 1 7 . 1 1 48 48 SER N N 48 122.562 122.562 119.727 2.835 19942 3392 1 7 . 1 1 48 48 SER HA H 48 4.289 4.289 4.371 -0.082 19942 3393 1 7 . 1 1 48 48 SER C C 48 174.767 174.767 175.907 -1.140 19942 3394 1 7 . 1 1 48 48 SER CA C 48 60.419 60.419 60.840 -0.421 19942 3395 1 7 . 1 1 48 48 SER CB C 48 62.630 62.630 63.635 -1.005 19942 3396 1 7 . 1 1 48 48 SER H H 48 9.685 9.685 8.448 1.237 19942 3397 1 7 . 1 1 49 49 ASN N N 49 118.253 118.253 122.393 -4.140 19942 3398 1 7 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.700 0.033 19942 3399 1 7 . 1 1 49 49 ASN C C 49 175.845 175.845 174.844 1.001 19942 3400 1 7 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.302 0.264 19942 3401 1 7 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.332 0.752 19942 3402 1 7 . 1 1 49 49 ASN H H 49 8.006 8.006 7.947 0.059 19942 3403 1 7 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.234 0.310 19942 3404 1 7 . 1 1 50 50 GLN C C 50 175.944 175.944 177.562 -1.618 19942 3405 1 7 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.762 -1.300 19942 3406 1 7 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.751 0.162 19942 3407 1 7 . 1 1 51 51 SER N N 51 113.229 113.229 113.791 -0.562 19942 3408 1 7 . 1 1 51 51 SER HA H 51 4.302 4.302 4.303 -0.001 19942 3409 1 7 . 1 1 51 51 SER C C 51 173.524 173.524 175.107 -1.583 19942 3410 1 7 . 1 1 51 51 SER CA C 51 59.973 59.973 60.963 -0.990 19942 3411 1 7 . 1 1 51 51 SER CB C 51 62.832 62.832 63.267 -0.435 19942 3412 1 7 . 1 1 51 51 SER H H 51 8.205 8.205 8.570 -0.365 19942 3413 1 7 . 1 1 52 52 GLN N N 52 116.510 116.510 118.082 -1.572 19942 3414 1 7 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.485 0.073 19942 3415 1 7 . 1 1 52 52 GLN C C 52 176.697 176.697 173.873 2.824 19942 3416 1 7 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.849 0.267 19942 3417 1 7 . 1 1 52 52 GLN CB C 52 29.584 29.584 30.022 -0.438 19942 3418 1 7 . 1 1 52 52 GLN H H 52 7.277 7.277 8.181 -0.904 19942 3419 1 7 . 1 1 53 53 ALA N N 53 119.325 119.325 118.884 0.441 19942 3420 1 7 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.665 0.243 19942 3421 1 7 . 1 1 53 53 ALA C C 53 174.225 174.225 175.066 -0.841 19942 3422 1 7 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.609 0.769 19942 3423 1 7 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.195 -0.099 19942 3424 1 7 . 1 1 53 53 ALA H H 53 8.150 8.150 7.812 0.338 19942 3425 1 7 . 1 1 54 54 LYS N N 54 120.764 120.764 120.551 0.213 19942 3426 1 7 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.887 0.022 19942 3427 1 7 . 1 1 54 54 LYS C C 54 173.892 173.892 174.553 -0.661 19942 3428 1 7 . 1 1 54 54 LYS CA C 54 53.762 53.762 54.534 -0.772 19942 3429 1 7 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.792 -0.684 19942 3430 1 7 . 1 1 54 54 LYS H H 54 8.397 8.397 8.036 0.361 19942 3431 1 7 . 1 1 55 55 VAL N N 55 118.409 118.409 124.235 -5.826 19942 3432 1 7 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.554 0.379 19942 3433 1 7 . 1 1 55 55 VAL C C 55 172.770 172.770 174.723 -1.953 19942 3434 1 7 . 1 1 55 55 VAL CA C 55 58.070 58.070 60.653 -2.583 19942 3435 1 7 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.927 1.947 19942 3436 1 7 . 1 1 55 55 VAL H H 55 8.748 8.748 8.584 0.164 19942 3437 1 7 . 1 1 56 56 SER N N 56 119.976 119.976 124.689 -4.713 19942 3438 1 7 . 1 1 56 56 SER HA H 56 4.364 4.364 4.769 -0.405 19942 3439 1 7 . 1 1 56 56 SER C C 56 174.635 174.635 173.102 1.533 19942 3440 1 7 . 1 1 56 56 SER CA C 56 57.399 57.399 57.664 -0.265 19942 3441 1 7 . 1 1 56 56 SER CB C 56 63.633 63.633 65.022 -1.389 19942 3442 1 7 . 1 1 56 56 SER H H 56 7.851 7.851 8.319 -0.468 19942 3443 1 7 . 1 1 57 57 ASN N N 57 124.627 124.627 122.042 2.585 19942 3444 1 7 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.835 0.422 19942 3445 1 7 . 1 1 57 57 ASN C C 57 174.450 174.450 174.055 0.395 19942 3446 1 7 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.598 0.790 19942 3447 1 7 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.303 1.227 19942 3448 1 7 . 1 1 57 57 ASN H H 57 9.190 9.190 8.349 0.841 19942 3449 1 7 . 1 1 58 58 ALA N N 58 127.007 127.007 124.541 2.466 19942 3450 1 7 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.613 -0.275 19942 3451 1 7 . 1 1 58 58 ALA C C 58 178.628 178.628 178.105 0.523 19942 3452 1 7 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.117 1.111 19942 3453 1 7 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.267 -1.357 19942 3454 1 7 . 1 1 58 58 ALA H H 58 8.121 8.121 8.766 -0.645 19942 3455 1 7 . 1 1 59 59 SER N N 59 116.407 116.407 113.492 2.915 19942 3456 1 7 . 1 1 59 59 SER HA H 59 4.888 4.888 4.228 0.660 19942 3457 1 7 . 1 1 59 59 SER C C 59 176.729 176.729 175.267 1.462 19942 3458 1 7 . 1 1 59 59 SER CA C 59 62.500 62.500 61.335 1.165 19942 3459 1 7 . 1 1 59 59 SER CB C 59 63.113 63.113 62.949 0.164 19942 3460 1 7 . 1 1 59 59 SER H H 59 8.767 8.767 8.629 0.138 19942 3461 1 7 . 1 1 60 60 GLU N N 60 117.093 117.093 118.600 -1.507 19942 3462 1 7 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.391 -0.160 19942 3463 1 7 . 1 1 60 60 GLU C C 60 177.467 177.467 177.498 -0.031 19942 3464 1 7 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.721 0.995 19942 3465 1 7 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.744 -0.133 19942 3466 1 7 . 1 1 60 60 GLU H H 60 9.190 9.190 8.600 0.590 19942 3467 1 7 . 1 1 61 61 THR N N 61 107.270 107.270 109.057 -1.787 19942 3468 1 7 . 1 1 61 61 THR HA H 61 4.820 4.820 4.365 0.455 19942 3469 1 7 . 1 1 61 61 THR C C 61 173.068 173.068 174.897 -1.829 19942 3470 1 7 . 1 1 61 61 THR CA C 61 59.191 59.191 60.812 -1.621 19942 3471 1 7 . 1 1 61 61 THR CB C 61 69.219 69.219 69.367 -0.148 19942 3472 1 7 . 1 1 61 61 THR H H 61 7.369 7.369 7.597 -0.228 19942 3473 1 7 . 1 1 62 62 LYS N N 62 122.917 122.917 122.581 0.336 19942 3474 1 7 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.131 -0.445 19942 3475 1 7 . 1 1 62 62 LYS C C 62 178.225 178.225 177.011 1.214 19942 3476 1 7 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.021 0.100 19942 3477 1 7 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.502 0.788 19942 3478 1 7 . 1 1 62 62 LYS H H 62 6.924 6.924 7.626 -0.702 19942 3479 1 7 . 1 1 63 63 GLY N N 63 111.784 111.784 109.502 2.282 19942 3480 1 7 . 1 1 63 63 GLY C C 63 171.831 171.831 172.072 -0.241 19942 3481 1 7 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.568 -0.213 19942 3482 1 7 . 1 1 63 63 GLY H H 63 7.966 7.966 8.588 -0.622 19942 3483 1 7 . 1 1 64 64 LEU N N 64 120.854 120.854 120.063 0.791 19942 3484 1 7 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.325 -0.265 19942 3485 1 7 . 1 1 64 64 LEU C C 64 176.666 176.666 174.342 2.324 19942 3486 1 7 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.693 1.871 19942 3487 1 7 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.735 -1.662 19942 3488 1 7 . 1 1 64 64 LEU H H 64 7.785 7.785 7.490 0.295 19942 3489 1 7 . 1 1 65 65 VAL N N 65 135.184 135.184 126.943 8.241 19942 3490 1 7 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.398 0.238 19942 3491 1 7 . 1 1 65 65 VAL C C 65 174.956 174.956 174.757 0.199 19942 3492 1 7 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.840 0.484 19942 3493 1 7 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.828 -2.832 19942 3494 1 7 . 1 1 65 65 VAL H H 65 8.973 8.973 7.961 1.012 19942 3495 1 7 . 1 1 66 66 THR N N 66 121.955 121.955 122.942 -0.987 19942 3496 1 7 . 1 1 66 66 THR HA H 66 4.774 4.774 4.532 0.242 19942 3497 1 7 . 1 1 66 66 THR C C 66 174.266 174.266 173.779 0.487 19942 3498 1 7 . 1 1 66 66 THR CA C 66 61.225 61.225 61.864 -0.638 19942 3499 1 7 . 1 1 66 66 THR CB C 66 71.190 71.190 69.822 1.368 19942 3500 1 7 . 1 1 66 66 THR H H 66 8.947 8.947 8.580 0.367 19942 3501 1 7 . 1 1 67 67 GLY N N 67 114.304 114.304 114.488 -0.184 19942 3502 1 7 . 1 1 67 67 GLY C C 67 172.326 172.326 174.294 -1.968 19942 3503 1 7 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.906 2.326 19942 3504 1 7 . 1 1 67 67 GLY H H 67 9.201 9.201 8.338 0.863 19942 3505 1 7 . 1 1 68 68 ILE N N 68 126.492 126.492 125.543 0.949 19942 3506 1 7 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.955 0.168 19942 3507 1 7 . 1 1 68 68 ILE C C 68 175.021 175.021 175.978 -0.957 19942 3508 1 7 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.383 -1.775 19942 3509 1 7 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.411 0.743 19942 3510 1 7 . 1 1 68 68 ILE H H 68 8.927 8.927 8.431 0.496 19942 3511 1 7 . 1 1 69 69 ALA N N 69 122.378 122.378 118.599 3.779 19942 3512 1 7 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.441 -0.046 19942 3513 1 7 . 1 1 69 69 ALA C C 69 174.111 174.111 175.401 -1.290 19942 3514 1 7 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.448 -0.589 19942 3515 1 7 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.554 2.503 19942 3516 1 7 . 1 1 69 69 ALA H H 69 8.413 8.413 7.631 0.782 19942 3517 1 7 . 1 1 70 70 SER N N 70 110.668 110.668 117.053 -6.385 19942 3518 1 7 . 1 1 70 70 SER HA H 70 4.013 4.013 4.584 -0.571 19942 3519 1 7 . 1 1 70 70 SER C C 70 174.180 174.180 174.051 0.129 19942 3520 1 7 . 1 1 70 70 SER CA C 70 58.620 58.620 57.812 0.808 19942 3521 1 7 . 1 1 70 70 SER CB C 70 64.114 64.114 63.836 0.278 19942 3522 1 7 . 1 1 70 70 SER H H 70 8.109 8.109 7.792 0.317 19942 3523 1 7 . 1 1 71 71 GLY N N 71 108.506 108.506 109.005 -0.499 19942 3524 1 7 . 1 1 71 71 GLY C C 71 170.868 170.868 173.800 -2.932 19942 3525 1 7 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.740 -1.397 19942 3526 1 7 . 1 1 71 71 GLY H H 71 8.055 8.055 8.825 -0.770 19942 3527 1 7 . 1 1 72 72 ASN N N 72 116.234 116.234 118.375 -2.141 19942 3528 1 7 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.413 -0.521 19942 3529 1 7 . 1 1 72 72 ASN C C 72 171.109 171.109 173.066 -1.957 19942 3530 1 7 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.108 0.301 19942 3531 1 7 . 1 1 72 72 ASN CB C 72 39.972 39.972 41.000 -1.028 19942 3532 1 7 . 1 1 72 72 ASN H H 72 8.238 8.238 8.055 0.183 19942 3533 1 7 . 1 1 73 73 PRO C C 73 173.522 173.522 176.174 -2.652 19942 3534 1 7 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.113 1.209 19942 3535 1 7 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.327 -1.274 19942 3536 1 7 . 1 1 74 74 THR N N 74 115.192 115.192 116.948 -1.756 19942 3537 1 7 . 1 1 74 74 THR HA H 74 4.399 4.399 4.655 -0.256 19942 3538 1 7 . 1 1 74 74 THR C C 74 173.467 173.467 173.244 0.223 19942 3539 1 7 . 1 1 74 74 THR CA C 74 61.852 61.852 62.437 -0.585 19942 3540 1 7 . 1 1 74 74 THR CB C 74 70.609 70.609 71.100 -0.491 19942 3541 1 7 . 1 1 74 74 THR H H 74 8.775 8.775 8.094 0.681 19942 3542 1 7 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.875 0.008 19942 3543 1 7 . 1 1 75 75 ILE CA C 75 61.787 61.787 59.950 1.837 19942 3544 1 7 . 1 1 75 75 ILE CB C 75 36.867 36.867 39.343 -2.476 19942 3545 1 7 . 1 1 76 76 ILE N N 76 126.694 126.694 127.464 -0.770 19942 3546 1 7 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.631 0.044 19942 3547 1 7 . 1 1 76 76 ILE C C 76 173.870 173.870 174.440 -0.570 19942 3548 1 7 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.870 0.673 19942 3549 1 7 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.678 0.242 19942 3550 1 7 . 1 1 76 76 ILE H H 76 8.982 8.982 8.128 0.854 19942 3551 1 7 . 1 1 77 77 ALA N N 77 126.455 126.455 130.616 -4.161 19942 3552 1 7 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.949 -0.450 19942 3553 1 7 . 1 1 77 77 ALA C C 77 175.857 175.857 176.037 -0.180 19942 3554 1 7 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.686 0.107 19942 3555 1 7 . 1 1 77 77 ALA CB C 77 21.672 21.672 20.981 0.691 19942 3556 1 7 . 1 1 77 77 ALA H H 77 8.431 8.431 8.654 -0.223 19942 3557 1 7 . 1 1 78 78 THR N N 78 116.767 116.767 121.406 -4.639 19942 3558 1 7 . 1 1 78 78 THR HA H 78 4.849 4.849 4.533 0.316 19942 3559 1 7 . 1 1 78 78 THR C C 78 173.211 173.211 172.663 0.548 19942 3560 1 7 . 1 1 78 78 THR CA C 78 61.343 61.343 62.235 -0.892 19942 3561 1 7 . 1 1 78 78 THR CB C 78 71.627 71.627 70.726 0.901 19942 3562 1 7 . 1 1 78 78 THR H H 78 8.135 8.135 8.120 0.015 19942 3563 1 7 . 1 1 79 79 TYR N N 79 127.950 127.950 129.105 -1.155 19942 3564 1 7 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.727 -0.098 19942 3565 1 7 . 1 1 79 79 TYR C C 79 174.921 174.921 175.199 -0.278 19942 3566 1 7 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.429 1.077 19942 3567 1 7 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.516 1.056 19942 3568 1 7 . 1 1 79 79 TYR H H 79 9.136 9.136 8.928 0.208 19942 3569 1 7 . 1 1 80 80 GLY N N 80 118.393 118.393 116.109 2.284 19942 3570 1 7 . 1 1 80 80 GLY C C 80 174.902 174.902 174.837 0.065 19942 3571 1 7 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.078 0.791 19942 3572 1 7 . 1 1 80 80 GLY H H 80 8.786 8.786 8.291 0.495 19942 3573 1 7 . 1 1 81 81 SER N N 81 113.872 113.872 119.480 -5.608 19942 3574 1 7 . 1 1 81 81 SER HA H 81 4.348 4.348 4.470 -0.122 19942 3575 1 7 . 1 1 81 81 SER C C 81 173.279 173.279 174.329 -1.050 19942 3576 1 7 . 1 1 81 81 SER CA C 81 58.658 58.658 58.324 0.334 19942 3577 1 7 . 1 1 81 81 SER CB C 81 63.490 63.490 63.772 -0.282 19942 3578 1 7 . 1 1 81 81 SER H H 81 7.878 7.878 8.456 -0.578 19942 3579 1 7 . 1 1 82 82 VAL N N 82 124.320 124.320 123.311 1.009 19942 3580 1 7 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.356 -0.107 19942 3581 1 7 . 1 1 82 82 VAL C C 82 173.455 173.455 173.864 -0.409 19942 3582 1 7 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.706 -0.054 19942 3583 1 7 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.884 -1.418 19942 3584 1 7 . 1 1 82 82 VAL H H 82 7.845 7.845 7.471 0.374 19942 3585 1 7 . 1 1 83 83 SER N N 83 119.056 119.056 120.490 -1.434 19942 3586 1 7 . 1 1 83 83 SER HA H 83 5.507 5.507 5.188 0.319 19942 3587 1 7 . 1 1 83 83 SER C C 83 173.841 173.841 173.498 0.343 19942 3588 1 7 . 1 1 83 83 SER CA C 83 56.624 56.624 56.865 -0.241 19942 3589 1 7 . 1 1 83 83 SER CB C 83 66.733 66.733 66.844 -0.110 19942 3590 1 7 . 1 1 83 83 SER H H 83 8.549 8.549 8.381 0.168 19942 3591 1 7 . 1 1 84 84 GLY N N 84 111.431 111.431 108.949 2.482 19942 3592 1 7 . 1 1 84 84 GLY C C 84 171.253 171.253 172.180 -0.927 19942 3593 1 7 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.260 0.023 19942 3594 1 7 . 1 1 84 84 GLY H H 84 8.957 8.957 8.806 0.151 19942 3595 1 7 . 1 1 85 85 ASN N N 85 114.909 114.909 119.600 -4.691 19942 3596 1 7 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.264 0.635 19942 3597 1 7 . 1 1 85 85 ASN C C 85 174.553 174.553 174.793 -0.240 19942 3598 1 7 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.350 0.444 19942 3599 1 7 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.771 1.375 19942 3600 1 7 . 1 1 85 85 ASN H H 85 8.752 8.752 8.435 0.317 19942 3601 1 7 . 1 1 86 86 THR N N 86 114.501 114.501 114.443 0.058 19942 3602 1 7 . 1 1 86 86 THR HA H 86 4.677 4.677 4.703 -0.026 19942 3603 1 7 . 1 1 86 86 THR C C 86 170.890 170.890 173.304 -2.414 19942 3604 1 7 . 1 1 86 86 THR CA C 86 61.715 61.715 60.800 0.915 19942 3605 1 7 . 1 1 86 86 THR CB C 86 70.636 70.636 71.028 -0.392 19942 3606 1 7 . 1 1 86 86 THR H H 86 8.922 8.922 8.275 0.647 19942 3607 1 7 . 1 1 87 87 ILE N N 87 125.857 125.857 122.739 3.118 19942 3608 1 7 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.107 0.435 19942 3609 1 7 . 1 1 87 87 ILE C C 87 175.495 175.495 175.526 -0.031 19942 3610 1 7 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.749 0.494 19942 3611 1 7 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.454 0.969 19942 3612 1 7 . 1 1 87 87 ILE H H 87 8.020 8.020 8.163 -0.143 19942 3613 1 7 . 1 1 88 88 LEU N N 88 129.304 129.304 130.017 -0.713 19942 3614 1 7 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.800 -0.117 19942 3615 1 7 . 1 1 88 88 LEU C C 88 174.979 174.979 175.423 -0.444 19942 3616 1 7 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.725 0.013 19942 3617 1 7 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.200 0.436 19942 3618 1 7 . 1 1 88 88 LEU H H 88 8.797 8.797 8.151 0.646 19942 3619 1 7 . 1 1 89 89 THR N N 89 117.751 117.751 117.786 -0.035 19942 3620 1 7 . 1 1 89 89 THR HA H 89 4.749 4.749 4.512 0.237 19942 3621 1 7 . 1 1 89 89 THR C C 89 173.269 173.269 173.275 -0.006 19942 3622 1 7 . 1 1 89 89 THR CA C 89 62.794 62.794 61.575 1.219 19942 3623 1 7 . 1 1 89 89 THR CB C 89 70.202 70.202 70.871 -0.669 19942 3624 1 7 . 1 1 89 89 THR H H 89 7.882 7.882 8.283 -0.401 19942 3625 1 7 . 1 1 90 90 VAL N N 90 127.485 127.485 126.627 0.858 19942 3626 1 7 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.036 0.801 19942 3627 1 7 . 1 1 90 90 VAL C C 90 176.460 176.460 174.913 1.547 19942 3628 1 7 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.467 -2.056 19942 3629 1 7 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.635 1.024 19942 3630 1 7 . 1 1 90 90 VAL H H 90 9.139 9.139 8.143 0.996 19942 3631 1 7 . 1 1 91 91 ASN N N 91 126.674 126.674 127.143 -0.469 19942 3632 1 7 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.949 -0.110 19942 3633 1 7 . 1 1 91 91 ASN C C 91 174.311 174.311 173.561 0.750 19942 3634 1 7 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.632 1.147 19942 3635 1 7 . 1 1 91 91 ASN CB C 91 40.777 40.777 43.007 -2.230 19942 3636 1 7 . 1 1 91 91 ASN H H 91 8.992 8.992 8.288 0.704 19942 3637 1 7 . 1 1 92 92 LYS N N 92 122.622 122.622 120.384 2.238 19942 3638 1 7 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.545 -0.128 19942 3639 1 7 . 1 1 92 92 LYS C C 92 176.757 176.757 177.612 -0.855 19942 3640 1 7 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.244 0.226 19942 3641 1 7 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.116 0.186 19942 3642 1 7 . 1 1 92 92 LYS H H 92 8.556 8.556 8.411 0.145 19942 3643 1 7 . 1 1 93 93 THR N N 93 119.358 119.358 114.875 4.483 19942 3644 1 7 . 1 1 93 93 THR HA H 93 4.315 4.315 4.122 0.194 19942 3645 1 7 . 1 1 93 93 THR C C 93 174.018 174.018 174.440 -0.422 19942 3646 1 7 . 1 1 93 93 THR CA C 93 62.060 62.060 64.918 -2.858 19942 3647 1 7 . 1 1 93 93 THR CB C 93 69.715 69.715 69.157 0.558 19942 3648 1 7 . 1 1 93 93 THR H H 93 8.439 8.439 8.400 0.039 19942 3649 1 7 . 1 1 94 94 ASP N N 94 124.142 124.142 120.681 3.461 19942 3650 1 7 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.710 -0.044 19942 3651 1 7 . 1 1 94 94 ASP C C 94 175.464 175.464 176.323 -0.859 19942 3652 1 7 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.069 1.446 19942 3653 1 7 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.916 0.201 19942 3654 1 7 . 1 1 94 94 ASP H H 94 8.583 8.583 7.757 0.826 19942 3655 1 8 . 1 1 3 3 ALA N N 3 123.810 123.810 120.284 3.526 19942 3656 1 8 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.099 0.110 19942 3657 1 8 . 1 1 3 3 ALA C C 3 177.476 177.476 176.736 0.740 19942 3658 1 8 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.796 -0.346 19942 3659 1 8 . 1 1 3 3 ALA CB C 3 19.517 19.517 18.949 0.568 19942 3660 1 8 . 1 1 3 3 ALA H H 3 8.387 8.387 7.773 0.614 19942 3661 1 8 . 1 1 4 4 THR N N 4 113.060 113.060 116.345 -3.285 19942 3662 1 8 . 1 1 4 4 THR HA H 4 4.621 4.621 4.737 -0.116 19942 3663 1 8 . 1 1 4 4 THR C C 4 174.426 174.426 174.598 -0.172 19942 3664 1 8 . 1 1 4 4 THR CA C 4 60.020 60.020 61.718 -1.698 19942 3665 1 8 . 1 1 4 4 THR CB C 4 71.041 71.041 71.079 -0.037 19942 3666 1 8 . 1 1 4 4 THR H H 4 8.593 8.593 8.452 0.141 19942 3667 1 8 . 1 1 5 5 LEU N N 5 125.889 125.889 126.917 -1.028 19942 3668 1 8 . 1 1 5 5 LEU HA H 5 3.436 3.436 3.958 -0.522 19942 3669 1 8 . 1 1 5 5 LEU C C 5 175.432 175.432 177.052 -1.620 19942 3670 1 8 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.941 0.249 19942 3671 1 8 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.940 -0.681 19942 3672 1 8 . 1 1 5 5 LEU H H 5 8.888 8.888 8.806 0.082 19942 3673 1 8 . 1 1 6 6 SER N N 6 123.564 123.564 121.389 2.175 19942 3674 1 8 . 1 1 6 6 SER HA H 6 4.574 4.574 4.382 0.192 19942 3675 1 8 . 1 1 6 6 SER C C 6 174.217 174.217 174.175 0.042 19942 3676 1 8 . 1 1 6 6 SER CA C 6 59.688 59.688 60.175 -0.487 19942 3677 1 8 . 1 1 6 6 SER CB C 6 64.300 64.300 64.138 0.162 19942 3678 1 8 . 1 1 6 6 SER H H 6 9.155 9.155 9.101 0.054 19942 3679 1 8 . 1 1 7 7 SER N N 7 112.212 112.212 112.825 -0.613 19942 3680 1 8 . 1 1 7 7 SER HA H 7 4.499 4.499 4.647 -0.148 19942 3681 1 8 . 1 1 7 7 SER C C 7 171.592 171.592 171.993 -0.401 19942 3682 1 8 . 1 1 7 7 SER CA C 7 57.676 57.676 57.811 -0.135 19942 3683 1 8 . 1 1 7 7 SER CB C 7 64.795 64.795 64.489 0.306 19942 3684 1 8 . 1 1 7 7 SER H H 7 7.913 7.913 7.625 0.288 19942 3685 1 8 . 1 1 8 8 ILE N N 8 120.132 120.132 121.328 -1.196 19942 3686 1 8 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.271 0.390 19942 3687 1 8 . 1 1 8 8 ILE C C 8 174.094 174.094 175.688 -1.594 19942 3688 1 8 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.630 -0.313 19942 3689 1 8 . 1 1 8 8 ILE CB C 8 42.926 42.926 39.671 3.255 19942 3690 1 8 . 1 1 8 8 ILE H H 8 8.628 8.628 8.378 0.250 19942 3691 1 8 . 1 1 9 9 SER N N 9 120.939 120.939 122.769 -1.830 19942 3692 1 8 . 1 1 9 9 SER HA H 9 4.907 4.907 4.824 0.083 19942 3693 1 8 . 1 1 9 9 SER C C 9 173.176 173.176 172.860 0.316 19942 3694 1 8 . 1 1 9 9 SER CA C 9 56.291 56.291 56.678 -0.387 19942 3695 1 8 . 1 1 9 9 SER CB C 9 65.325 65.325 65.871 -0.547 19942 3696 1 8 . 1 1 9 9 SER H H 9 8.761 8.761 8.979 -0.218 19942 3697 1 8 . 1 1 10 10 ILE N N 10 126.047 126.047 122.773 3.274 19942 3698 1 8 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.581 0.896 19942 3699 1 8 . 1 1 10 10 ILE C C 10 175.259 175.259 176.133 -0.874 19942 3700 1 8 . 1 1 10 10 ILE CA C 10 59.092 59.092 58.724 0.368 19942 3701 1 8 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.705 1.137 19942 3702 1 8 . 1 1 10 10 ILE H H 10 8.852 8.852 8.467 0.385 19942 3703 1 8 . 1 1 11 11 SER N N 11 122.938 122.938 122.702 0.236 19942 3704 1 8 . 1 1 11 11 SER HA H 11 4.704 4.704 4.936 -0.232 19942 3705 1 8 . 1 1 11 11 SER C C 11 170.288 170.288 173.408 -3.120 19942 3706 1 8 . 1 1 11 11 SER CA C 11 55.401 55.401 56.370 -0.969 19942 3707 1 8 . 1 1 11 11 SER CB C 11 65.248 65.248 64.224 1.024 19942 3708 1 8 . 1 1 11 11 SER H H 11 9.108 9.108 9.203 -0.095 19942 3709 1 8 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.344 0.353 19942 3710 1 8 . 1 1 12 12 PRO C C 12 175.467 175.467 175.869 -0.402 19942 3711 1 8 . 1 1 12 12 PRO CA C 12 61.456 61.456 64.406 -2.950 19942 3712 1 8 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.121 2.785 19942 3713 1 8 . 1 1 13 13 ILE N N 13 118.003 118.003 120.124 -2.121 19942 3714 1 8 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.176 0.175 19942 3715 1 8 . 1 1 13 13 ILE C C 13 176.535 176.535 175.794 0.741 19942 3716 1 8 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.629 0.463 19942 3717 1 8 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.682 0.551 19942 3718 1 8 . 1 1 13 13 ILE H H 13 8.233 8.233 8.377 -0.144 19942 3719 1 8 . 1 1 14 14 ASN N N 14 122.727 122.727 123.091 -0.364 19942 3720 1 8 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.441 0.335 19942 3721 1 8 . 1 1 14 14 ASN C C 14 175.286 175.286 174.711 0.575 19942 3722 1 8 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.878 -1.292 19942 3723 1 8 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.247 -0.751 19942 3724 1 8 . 1 1 14 14 ASN H H 14 8.501 8.501 8.705 -0.204 19942 3725 1 8 . 1 1 15 15 THR N N 15 114.899 114.899 115.199 -0.300 19942 3726 1 8 . 1 1 15 15 THR HA H 15 4.587 4.587 4.498 0.089 19942 3727 1 8 . 1 1 15 15 THR C C 15 173.339 173.339 172.872 0.467 19942 3728 1 8 . 1 1 15 15 THR CA C 15 61.059 61.059 61.229 -0.170 19942 3729 1 8 . 1 1 15 15 THR CB C 15 69.683 69.683 69.007 0.676 19942 3730 1 8 . 1 1 15 15 THR H H 15 8.878 8.878 8.354 0.524 19942 3731 1 8 . 1 1 16 16 ASN N N 16 119.994 119.994 124.580 -4.586 19942 3732 1 8 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.525 0.289 19942 3733 1 8 . 1 1 16 16 ASN C C 16 173.995 173.995 173.680 0.315 19942 3734 1 8 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.458 -0.072 19942 3735 1 8 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.655 -1.276 19942 3736 1 8 . 1 1 16 16 ASN H H 16 8.293 8.293 8.428 -0.135 19942 3737 1 8 . 1 1 17 17 ILE N N 17 118.356 118.356 120.952 -2.596 19942 3738 1 8 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.402 0.321 19942 3739 1 8 . 1 1 17 17 ILE C C 17 173.556 173.556 174.281 -0.725 19942 3740 1 8 . 1 1 17 17 ILE CA C 17 59.491 59.491 58.794 0.697 19942 3741 1 8 . 1 1 17 17 ILE CB C 17 42.437 42.437 40.014 2.424 19942 3742 1 8 . 1 1 17 17 ILE H H 17 8.962 8.962 8.368 0.594 19942 3743 1 8 . 1 1 18 18 ASN N N 18 122.798 122.798 124.397 -1.599 19942 3744 1 8 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.834 0.705 19942 3745 1 8 . 1 1 18 18 ASN C C 18 176.607 176.607 176.971 -0.364 19942 3746 1 8 . 1 1 18 18 ASN CA C 18 51.292 51.292 53.955 -2.663 19942 3747 1 8 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.832 -0.489 19942 3748 1 8 . 1 1 18 18 ASN H H 18 8.404 8.404 8.819 -0.415 19942 3749 1 8 . 1 1 19 19 THR C C 19 175.737 175.737 174.699 1.038 19942 3750 1 8 . 1 1 19 19 THR CA C 19 62.695 62.695 64.897 -2.202 19942 3751 1 8 . 1 1 19 19 THR CB C 19 68.758 68.758 69.052 -0.294 19942 3752 1 8 . 1 1 20 20 THR N N 20 113.750 113.750 114.348 -0.598 19942 3753 1 8 . 1 1 20 20 THR HA H 20 4.281 4.281 4.525 -0.244 19942 3754 1 8 . 1 1 20 20 THR C C 20 173.630 173.630 172.957 0.673 19942 3755 1 8 . 1 1 20 20 THR CA C 20 64.559 64.559 61.780 2.779 19942 3756 1 8 . 1 1 20 20 THR CB C 20 69.925 69.925 68.949 0.976 19942 3757 1 8 . 1 1 20 20 THR H H 20 8.400 8.400 7.858 0.542 19942 3758 1 8 . 1 1 21 21 VAL N N 21 124.237 124.237 121.740 2.497 19942 3759 1 8 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.423 -0.175 19942 3760 1 8 . 1 1 21 21 VAL C C 21 175.464 175.464 175.270 0.194 19942 3761 1 8 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.049 2.224 19942 3762 1 8 . 1 1 21 21 VAL H H 21 7.953 7.953 7.528 0.425 19942 3763 1 8 . 1 1 22 22 SER HA H 22 5.542 5.542 4.740 0.802 19942 3764 1 8 . 1 1 22 22 SER C C 22 173.145 173.145 173.364 -0.219 19942 3765 1 8 . 1 1 22 22 SER CA C 22 58.153 58.153 58.212 -0.059 19942 3766 1 8 . 1 1 22 22 SER CB C 22 64.768 64.768 64.017 0.750 19942 3767 1 8 . 1 1 23 23 LYS N N 23 124.177 124.177 123.426 0.751 19942 3768 1 8 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.458 0.052 19942 3769 1 8 . 1 1 23 23 LYS C C 23 173.847 173.847 173.904 -0.057 19942 3770 1 8 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.385 -0.434 19942 3771 1 8 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.463 1.453 19942 3772 1 8 . 1 1 23 23 LYS H H 23 9.372 9.372 8.304 1.068 19942 3773 1 8 . 1 1 24 24 GLN N N 24 128.777 128.777 125.682 3.095 19942 3774 1 8 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.240 -0.556 19942 3775 1 8 . 1 1 24 24 GLN C C 24 173.229 173.229 173.928 -0.699 19942 3776 1 8 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.963 2.165 19942 3777 1 8 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.181 -1.663 19942 3778 1 8 . 1 1 24 24 GLN H H 24 8.742 8.742 8.298 0.444 19942 3779 1 8 . 1 1 25 25 PHE N N 25 128.481 128.481 118.585 9.896 19942 3780 1 8 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.673 0.332 19942 3781 1 8 . 1 1 25 25 PHE C C 25 174.268 174.268 173.295 0.973 19942 3782 1 8 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.528 1.830 19942 3783 1 8 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.638 0.195 19942 3784 1 8 . 1 1 25 25 PHE H H 25 7.728 7.728 6.260 1.468 19942 3785 1 8 . 1 1 26 26 PHE N N 26 114.641 114.641 118.050 -3.409 19942 3786 1 8 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.171 0.356 19942 3787 1 8 . 1 1 26 26 PHE C C 26 175.679 175.679 175.044 0.635 19942 3788 1 8 . 1 1 26 26 PHE CA C 26 56.151 56.151 56.059 0.093 19942 3789 1 8 . 1 1 26 26 PHE CB C 26 42.737 42.737 43.037 -0.300 19942 3790 1 8 . 1 1 26 26 PHE H H 26 9.354 9.354 8.016 1.338 19942 3791 1 8 . 1 1 27 27 ALA N N 27 123.352 123.352 124.267 -0.915 19942 3792 1 8 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.070 0.135 19942 3793 1 8 . 1 1 27 27 ALA C C 27 174.966 174.966 175.496 -0.530 19942 3794 1 8 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.663 -0.717 19942 3795 1 8 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.387 0.503 19942 3796 1 8 . 1 1 27 27 ALA H H 27 8.935 8.935 9.601 -0.666 19942 3797 1 8 . 1 1 28 28 VAL N N 28 122.875 122.875 124.273 -1.398 19942 3798 1 8 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.604 0.063 19942 3799 1 8 . 1 1 28 28 VAL C C 28 177.371 177.371 175.154 2.217 19942 3800 1 8 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.790 0.424 19942 3801 1 8 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.409 -0.114 19942 3802 1 8 . 1 1 28 28 VAL H H 28 8.933 8.933 8.806 0.127 19942 3803 1 8 . 1 1 29 29 GLY N N 29 118.628 118.628 114.305 4.323 19942 3804 1 8 . 1 1 29 29 GLY C C 29 171.637 171.637 172.253 -0.616 19942 3805 1 8 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.431 1.625 19942 3806 1 8 . 1 1 29 29 GLY H H 29 9.852 9.852 8.317 1.535 19942 3807 1 8 . 1 1 30 30 THR N N 30 119.749 119.749 120.784 -1.035 19942 3808 1 8 . 1 1 30 30 THR HA H 30 5.033 5.033 5.183 -0.150 19942 3809 1 8 . 1 1 30 30 THR C C 30 173.854 173.854 173.789 0.065 19942 3810 1 8 . 1 1 30 30 THR CA C 30 62.384 62.384 61.490 0.894 19942 3811 1 8 . 1 1 30 30 THR CB C 30 69.631 69.631 70.920 -1.289 19942 3812 1 8 . 1 1 30 30 THR H H 30 8.632 8.632 8.015 0.617 19942 3813 1 8 . 1 1 31 31 TYR N N 31 126.778 126.778 126.858 -0.080 19942 3814 1 8 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.691 0.328 19942 3815 1 8 . 1 1 31 31 TYR C C 31 179.438 179.438 177.868 1.570 19942 3816 1 8 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.153 -0.141 19942 3817 1 8 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.177 1.693 19942 3818 1 8 . 1 1 31 31 TYR H H 31 9.411 9.411 9.382 0.029 19942 3819 1 8 . 1 1 32 32 SER N N 32 118.249 118.249 119.301 -1.052 19942 3820 1 8 . 1 1 32 32 SER HA H 32 4.112 4.112 4.186 -0.074 19942 3821 1 8 . 1 1 32 32 SER C C 32 174.175 174.175 175.103 -0.928 19942 3822 1 8 . 1 1 32 32 SER CA C 32 61.407 61.407 61.040 0.367 19942 3823 1 8 . 1 1 32 32 SER CB C 32 62.779 62.779 62.817 -0.038 19942 3824 1 8 . 1 1 32 32 SER H H 32 9.767 9.767 8.888 0.879 19942 3825 1 8 . 1 1 33 33 ASP N N 33 119.614 119.614 120.444 -0.830 19942 3826 1 8 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.695 0.039 19942 3827 1 8 . 1 1 33 33 ASP C C 33 177.097 177.097 176.974 0.123 19942 3828 1 8 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.137 -1.461 19942 3829 1 8 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.042 0.479 19942 3830 1 8 . 1 1 33 33 ASP H H 33 7.702 7.702 7.903 -0.201 19942 3831 1 8 . 1 1 34 34 GLY N N 34 108.749 108.749 107.552 1.197 19942 3832 1 8 . 1 1 34 34 GLY C C 34 174.828 174.828 174.750 0.078 19942 3833 1 8 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.513 -0.220 19942 3834 1 8 . 1 1 34 34 GLY H H 34 8.420 8.420 8.533 -0.113 19942 3835 1 8 . 1 1 35 35 THR N N 35 113.544 113.544 117.014 -3.470 19942 3836 1 8 . 1 1 35 35 THR HA H 35 4.297 4.297 4.429 -0.132 19942 3837 1 8 . 1 1 35 35 THR C C 35 173.074 173.074 173.616 -0.542 19942 3838 1 8 . 1 1 35 35 THR CA C 35 62.762 62.762 63.091 -0.329 19942 3839 1 8 . 1 1 35 35 THR CB C 35 71.079 71.079 70.116 0.963 19942 3840 1 8 . 1 1 35 35 THR H H 35 7.863 7.863 7.764 0.099 19942 3841 1 8 . 1 1 36 36 LYS N N 36 118.248 118.248 123.017 -4.769 19942 3842 1 8 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.364 0.563 19942 3843 1 8 . 1 1 36 36 LYS C C 36 176.847 176.847 175.397 1.450 19942 3844 1 8 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.071 -0.540 19942 3845 1 8 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.207 0.716 19942 3846 1 8 . 1 1 36 36 LYS H H 36 8.374 8.374 8.519 -0.145 19942 3847 1 8 . 1 1 37 37 ALA N N 37 121.621 121.621 125.071 -3.450 19942 3848 1 8 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.597 0.071 19942 3849 1 8 . 1 1 37 37 ALA C C 37 175.556 175.556 174.588 0.968 19942 3850 1 8 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.810 -0.433 19942 3851 1 8 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.771 1.766 19942 3852 1 8 . 1 1 37 37 ALA H H 37 8.892 8.892 8.449 0.443 19942 3853 1 8 . 1 1 38 38 ASP N N 38 121.602 121.602 120.822 0.780 19942 3854 1 8 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.876 -0.016 19942 3855 1 8 . 1 1 38 38 ASP C C 38 176.487 176.487 176.586 -0.099 19942 3856 1 8 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.274 0.960 19942 3857 1 8 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.367 -0.592 19942 3858 1 8 . 1 1 38 38 ASP H H 38 8.983 8.983 8.521 0.462 19942 3859 1 8 . 1 1 39 39 LEU N N 39 128.342 128.342 127.326 1.016 19942 3860 1 8 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.811 0.050 19942 3861 1 8 . 1 1 39 39 LEU C C 39 177.565 177.565 177.583 -0.018 19942 3862 1 8 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.137 -0.547 19942 3863 1 8 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.672 2.261 19942 3864 1 8 . 1 1 39 39 LEU H H 39 9.218 9.218 8.320 0.898 19942 3865 1 8 . 1 1 40 40 THR N N 40 122.567 122.567 116.877 5.690 19942 3866 1 8 . 1 1 40 40 THR HA H 40 4.526 4.526 4.495 0.031 19942 3867 1 8 . 1 1 40 40 THR C C 40 174.562 174.562 176.472 -1.910 19942 3868 1 8 . 1 1 40 40 THR CA C 40 69.870 69.870 67.321 2.549 19942 3869 1 8 . 1 1 40 40 THR CB C 40 69.268 69.268 68.583 0.685 19942 3870 1 8 . 1 1 40 40 THR H H 40 8.983 8.983 8.079 0.904 19942 3871 1 8 . 1 1 41 41 SER N N 41 109.895 109.895 113.245 -3.350 19942 3872 1 8 . 1 1 41 41 SER HA H 41 4.465 4.465 4.603 -0.138 19942 3873 1 8 . 1 1 41 41 SER C C 41 174.686 174.686 174.910 -0.224 19942 3874 1 8 . 1 1 41 41 SER CA C 41 59.960 59.960 60.050 -0.090 19942 3875 1 8 . 1 1 41 41 SER CB C 41 63.643 63.643 62.925 0.718 19942 3876 1 8 . 1 1 41 41 SER H H 41 8.749 8.749 8.558 0.191 19942 3877 1 8 . 1 1 42 42 SER N N 42 117.037 117.037 117.199 -0.162 19942 3878 1 8 . 1 1 42 42 SER HA H 42 4.706 4.706 4.777 -0.071 19942 3879 1 8 . 1 1 42 42 SER C C 42 175.240 175.240 174.948 0.292 19942 3880 1 8 . 1 1 42 42 SER CA C 42 59.742 59.742 59.167 0.575 19942 3881 1 8 . 1 1 42 42 SER CB C 42 64.724 64.724 65.252 -0.528 19942 3882 1 8 . 1 1 42 42 SER H H 42 8.056 8.056 8.028 0.028 19942 3883 1 8 . 1 1 43 43 VAL N N 43 113.914 113.914 119.738 -5.824 19942 3884 1 8 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.798 -0.486 19942 3885 1 8 . 1 1 43 43 VAL C C 43 174.501 174.501 174.781 -0.280 19942 3886 1 8 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.696 0.376 19942 3887 1 8 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.062 -0.664 19942 3888 1 8 . 1 1 43 43 VAL H H 43 7.498 7.498 8.216 -0.718 19942 3889 1 8 . 1 1 44 44 THR N N 44 116.194 116.194 120.311 -4.117 19942 3890 1 8 . 1 1 44 44 THR HA H 44 4.515 4.515 4.735 -0.220 19942 3891 1 8 . 1 1 44 44 THR C C 44 175.110 175.110 173.958 1.152 19942 3892 1 8 . 1 1 44 44 THR CA C 44 62.468 62.468 62.121 0.347 19942 3893 1 8 . 1 1 44 44 THR CB C 44 69.914 69.914 70.427 -0.513 19942 3894 1 8 . 1 1 44 44 THR H H 44 9.020 9.020 8.493 0.527 19942 3895 1 8 . 1 1 45 45 TRP N N 45 133.716 133.716 128.770 4.946 19942 3896 1 8 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.883 0.501 19942 3897 1 8 . 1 1 45 45 TRP C C 45 176.565 176.565 176.372 0.193 19942 3898 1 8 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.293 0.441 19942 3899 1 8 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.983 0.512 19942 3900 1 8 . 1 1 45 45 TRP H H 45 9.667 9.667 8.867 0.800 19942 3901 1 8 . 1 1 46 46 SER N N 46 117.142 117.142 118.344 -1.202 19942 3902 1 8 . 1 1 46 46 SER HA H 46 4.620 4.620 4.753 -0.133 19942 3903 1 8 . 1 1 46 46 SER C C 46 171.333 171.333 172.534 -1.201 19942 3904 1 8 . 1 1 46 46 SER CA C 46 58.013 58.013 57.407 0.606 19942 3905 1 8 . 1 1 46 46 SER CB C 46 65.605 65.605 66.371 -0.766 19942 3906 1 8 . 1 1 46 46 SER H H 46 10.001 10.001 8.389 1.612 19942 3907 1 8 . 1 1 47 47 SER N N 47 112.791 112.791 115.204 -2.413 19942 3908 1 8 . 1 1 47 47 SER HA H 47 5.530 5.530 5.291 0.239 19942 3909 1 8 . 1 1 47 47 SER C C 47 176.141 176.141 175.763 0.378 19942 3910 1 8 . 1 1 47 47 SER CA C 47 53.591 53.591 56.520 -2.929 19942 3911 1 8 . 1 1 47 47 SER CB C 47 66.167 66.167 65.294 0.873 19942 3912 1 8 . 1 1 47 47 SER H H 47 8.594 8.594 8.327 0.267 19942 3913 1 8 . 1 1 48 48 SER N N 48 122.562 122.562 120.323 2.239 19942 3914 1 8 . 1 1 48 48 SER HA H 48 4.289 4.289 4.340 -0.051 19942 3915 1 8 . 1 1 48 48 SER C C 48 174.767 174.767 175.620 -0.853 19942 3916 1 8 . 1 1 48 48 SER CA C 48 60.419 60.419 60.157 0.262 19942 3917 1 8 . 1 1 48 48 SER CB C 48 62.630 62.630 63.523 -0.892 19942 3918 1 8 . 1 1 48 48 SER H H 48 9.685 9.685 8.458 1.227 19942 3919 1 8 . 1 1 49 49 ASN N N 49 118.253 118.253 121.381 -3.128 19942 3920 1 8 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.762 -0.029 19942 3921 1 8 . 1 1 49 49 ASN C C 49 175.845 175.845 174.808 1.037 19942 3922 1 8 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.823 0.743 19942 3923 1 8 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.389 0.695 19942 3924 1 8 . 1 1 49 49 ASN H H 49 8.006 8.006 7.647 0.359 19942 3925 1 8 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.531 0.013 19942 3926 1 8 . 1 1 50 50 GLN C C 50 175.944 175.944 176.955 -1.011 19942 3927 1 8 . 1 1 50 50 GLN CA C 50 57.462 57.462 57.666 -0.204 19942 3928 1 8 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.937 -1.024 19942 3929 1 8 . 1 1 51 51 SER N N 51 113.229 113.229 114.964 -1.735 19942 3930 1 8 . 1 1 51 51 SER HA H 51 4.302 4.302 4.238 0.064 19942 3931 1 8 . 1 1 51 51 SER C C 51 173.524 173.524 176.216 -2.692 19942 3932 1 8 . 1 1 51 51 SER CA C 51 59.973 59.973 60.968 -0.995 19942 3933 1 8 . 1 1 51 51 SER CB C 51 62.832 62.832 62.935 -0.103 19942 3934 1 8 . 1 1 51 51 SER H H 51 8.205 8.205 8.534 -0.329 19942 3935 1 8 . 1 1 52 52 GLN N N 52 116.510 116.510 118.718 -2.208 19942 3936 1 8 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.476 0.082 19942 3937 1 8 . 1 1 52 52 GLN C C 52 176.697 176.697 173.994 2.703 19942 3938 1 8 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.580 0.536 19942 3939 1 8 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.584 0.000 19942 3940 1 8 . 1 1 52 52 GLN H H 52 7.277 7.277 8.267 -0.990 19942 3941 1 8 . 1 1 53 53 ALA N N 53 119.325 119.325 119.566 -0.241 19942 3942 1 8 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.643 0.265 19942 3943 1 8 . 1 1 53 53 ALA C C 53 174.225 174.225 175.120 -0.895 19942 3944 1 8 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.572 0.806 19942 3945 1 8 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.298 -0.202 19942 3946 1 8 . 1 1 53 53 ALA H H 53 8.150 8.150 6.996 1.154 19942 3947 1 8 . 1 1 54 54 LYS N N 54 120.764 120.764 120.624 0.140 19942 3948 1 8 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.793 0.116 19942 3949 1 8 . 1 1 54 54 LYS C C 54 173.892 173.892 174.505 -0.613 19942 3950 1 8 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.232 -1.470 19942 3951 1 8 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.483 -0.375 19942 3952 1 8 . 1 1 54 54 LYS H H 54 8.397 8.397 8.004 0.393 19942 3953 1 8 . 1 1 55 55 VAL N N 55 118.409 118.409 124.282 -5.873 19942 3954 1 8 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.401 0.532 19942 3955 1 8 . 1 1 55 55 VAL C C 55 172.770 172.770 174.983 -2.213 19942 3956 1 8 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.148 -3.078 19942 3957 1 8 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.615 2.259 19942 3958 1 8 . 1 1 55 55 VAL H H 55 8.748 8.748 8.537 0.211 19942 3959 1 8 . 1 1 56 56 SER N N 56 119.976 119.976 124.414 -4.438 19942 3960 1 8 . 1 1 56 56 SER HA H 56 4.364 4.364 4.698 -0.334 19942 3961 1 8 . 1 1 56 56 SER C C 56 174.635 174.635 173.020 1.615 19942 3962 1 8 . 1 1 56 56 SER CA C 56 57.399 57.399 57.901 -0.502 19942 3963 1 8 . 1 1 56 56 SER CB C 56 63.633 63.633 63.449 0.184 19942 3964 1 8 . 1 1 56 56 SER H H 56 7.851 7.851 8.529 -0.678 19942 3965 1 8 . 1 1 57 57 ASN N N 57 124.627 124.627 123.959 0.668 19942 3966 1 8 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.988 0.269 19942 3967 1 8 . 1 1 57 57 ASN C C 57 174.450 174.450 174.219 0.231 19942 3968 1 8 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.218 1.170 19942 3969 1 8 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.042 1.488 19942 3970 1 8 . 1 1 57 57 ASN H H 57 9.190 9.190 8.330 0.860 19942 3971 1 8 . 1 1 58 58 ALA N N 58 127.007 127.007 125.307 1.700 19942 3972 1 8 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.537 -0.199 19942 3973 1 8 . 1 1 58 58 ALA C C 58 178.628 178.628 177.524 1.104 19942 3974 1 8 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.476 0.752 19942 3975 1 8 . 1 1 58 58 ALA CB C 58 18.910 18.910 19.949 -1.039 19942 3976 1 8 . 1 1 58 58 ALA H H 58 8.121 8.121 8.718 -0.597 19942 3977 1 8 . 1 1 59 59 SER N N 59 116.407 116.407 113.888 2.519 19942 3978 1 8 . 1 1 59 59 SER HA H 59 4.888 4.888 4.261 0.626 19942 3979 1 8 . 1 1 59 59 SER C C 59 176.729 176.729 176.742 -0.013 19942 3980 1 8 . 1 1 59 59 SER CA C 59 62.500 62.500 61.309 1.192 19942 3981 1 8 . 1 1 59 59 SER CB C 59 63.113 63.113 63.195 -0.082 19942 3982 1 8 . 1 1 59 59 SER H H 59 8.767 8.767 8.568 0.199 19942 3983 1 8 . 1 1 60 60 GLU N N 60 117.093 117.093 119.629 -2.536 19942 3984 1 8 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.377 -0.145 19942 3985 1 8 . 1 1 60 60 GLU C C 60 177.467 177.467 177.356 0.111 19942 3986 1 8 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.117 0.599 19942 3987 1 8 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.733 -0.122 19942 3988 1 8 . 1 1 60 60 GLU H H 60 9.190 9.190 8.684 0.506 19942 3989 1 8 . 1 1 61 61 THR N N 61 107.270 107.270 107.621 -0.351 19942 3990 1 8 . 1 1 61 61 THR HA H 61 4.820 4.820 4.392 0.428 19942 3991 1 8 . 1 1 61 61 THR C C 61 173.068 173.068 174.157 -1.089 19942 3992 1 8 . 1 1 61 61 THR CA C 61 59.191 59.191 60.357 -1.166 19942 3993 1 8 . 1 1 61 61 THR CB C 61 69.219 69.219 68.936 0.283 19942 3994 1 8 . 1 1 61 61 THR H H 61 7.369 7.369 7.264 0.105 19942 3995 1 8 . 1 1 62 62 LYS N N 62 122.917 122.917 123.323 -0.406 19942 3996 1 8 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.147 -0.461 19942 3997 1 8 . 1 1 62 62 LYS C C 62 178.225 178.225 177.211 1.014 19942 3998 1 8 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.956 0.165 19942 3999 1 8 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.334 0.956 19942 4000 1 8 . 1 1 62 62 LYS H H 62 6.924 6.924 7.176 -0.252 19942 4001 1 8 . 1 1 63 63 GLY N N 63 111.784 111.784 109.667 2.117 19942 4002 1 8 . 1 1 63 63 GLY C C 63 171.831 171.831 172.355 -0.524 19942 4003 1 8 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.371 -0.016 19942 4004 1 8 . 1 1 63 63 GLY H H 63 7.966 7.966 8.549 -0.583 19942 4005 1 8 . 1 1 64 64 LEU N N 64 120.854 120.854 120.587 0.267 19942 4006 1 8 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.380 -0.320 19942 4007 1 8 . 1 1 64 64 LEU C C 64 176.666 176.666 174.095 2.571 19942 4008 1 8 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.355 2.208 19942 4009 1 8 . 1 1 64 64 LEU CB C 64 43.073 43.073 43.256 -0.183 19942 4010 1 8 . 1 1 64 64 LEU H H 64 7.785 7.785 7.490 0.295 19942 4011 1 8 . 1 1 65 65 VAL N N 65 135.184 135.184 125.878 9.306 19942 4012 1 8 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.337 0.299 19942 4013 1 8 . 1 1 65 65 VAL C C 65 174.956 174.956 174.455 0.501 19942 4014 1 8 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.264 0.059 19942 4015 1 8 . 1 1 65 65 VAL CB C 65 32.996 32.996 36.105 -3.109 19942 4016 1 8 . 1 1 65 65 VAL H H 65 8.973 8.973 7.821 1.152 19942 4017 1 8 . 1 1 66 66 THR N N 66 121.955 121.955 122.402 -0.447 19942 4018 1 8 . 1 1 66 66 THR HA H 66 4.774 4.774 4.570 0.204 19942 4019 1 8 . 1 1 66 66 THR C C 66 174.266 174.266 173.441 0.825 19942 4020 1 8 . 1 1 66 66 THR CA C 66 61.225 61.225 61.962 -0.737 19942 4021 1 8 . 1 1 66 66 THR CB C 66 71.190 71.190 70.185 1.005 19942 4022 1 8 . 1 1 66 66 THR H H 66 8.947 8.947 8.189 0.758 19942 4023 1 8 . 1 1 67 67 GLY N N 67 114.304 114.304 114.221 0.083 19942 4024 1 8 . 1 1 67 67 GLY C C 67 172.326 172.326 174.272 -1.946 19942 4025 1 8 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.905 2.327 19942 4026 1 8 . 1 1 67 67 GLY H H 67 9.201 9.201 8.404 0.797 19942 4027 1 8 . 1 1 68 68 ILE N N 68 126.492 126.492 126.206 0.286 19942 4028 1 8 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.868 0.255 19942 4029 1 8 . 1 1 68 68 ILE C C 68 175.021 175.021 175.905 -0.884 19942 4030 1 8 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.596 -1.988 19942 4031 1 8 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.477 0.677 19942 4032 1 8 . 1 1 68 68 ILE H H 68 8.927 8.927 8.676 0.251 19942 4033 1 8 . 1 1 69 69 ALA N N 69 122.378 122.378 118.149 4.229 19942 4034 1 8 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.547 -0.152 19942 4035 1 8 . 1 1 69 69 ALA C C 69 174.111 174.111 175.526 -1.415 19942 4036 1 8 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.102 -0.243 19942 4037 1 8 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.141 1.916 19942 4038 1 8 . 1 1 69 69 ALA H H 69 8.413 8.413 7.486 0.927 19942 4039 1 8 . 1 1 70 70 SER N N 70 110.668 110.668 116.441 -5.773 19942 4040 1 8 . 1 1 70 70 SER HA H 70 4.013 4.013 4.514 -0.501 19942 4041 1 8 . 1 1 70 70 SER C C 70 174.180 174.180 173.599 0.581 19942 4042 1 8 . 1 1 70 70 SER CA C 70 58.620 58.620 57.889 0.731 19942 4043 1 8 . 1 1 70 70 SER CB C 70 64.114 64.114 64.171 -0.057 19942 4044 1 8 . 1 1 70 70 SER H H 70 8.109 8.109 7.890 0.219 19942 4045 1 8 . 1 1 71 71 GLY N N 71 108.506 108.506 108.085 0.421 19942 4046 1 8 . 1 1 71 71 GLY C C 71 170.868 170.868 173.557 -2.689 19942 4047 1 8 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.687 -1.344 19942 4048 1 8 . 1 1 71 71 GLY H H 71 8.055 8.055 8.858 -0.803 19942 4049 1 8 . 1 1 72 72 ASN N N 72 116.234 116.234 118.715 -2.481 19942 4050 1 8 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.376 -0.484 19942 4051 1 8 . 1 1 72 72 ASN C C 72 171.109 171.109 172.614 -1.505 19942 4052 1 8 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.122 0.287 19942 4053 1 8 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.823 -0.851 19942 4054 1 8 . 1 1 72 72 ASN H H 72 8.238 8.238 8.078 0.160 19942 4055 1 8 . 1 1 73 73 PRO C C 73 173.522 173.522 175.516 -1.994 19942 4056 1 8 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.812 0.510 19942 4057 1 8 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.621 -0.568 19942 4058 1 8 . 1 1 74 74 THR N N 74 115.192 115.192 117.647 -2.455 19942 4059 1 8 . 1 1 74 74 THR HA H 74 4.399 4.399 4.654 -0.255 19942 4060 1 8 . 1 1 74 74 THR C C 74 173.467 173.467 173.477 -0.010 19942 4061 1 8 . 1 1 74 74 THR CA C 74 61.852 61.852 62.003 -0.151 19942 4062 1 8 . 1 1 74 74 THR CB C 74 70.609 70.609 70.248 0.361 19942 4063 1 8 . 1 1 74 74 THR H H 74 8.775 8.775 8.193 0.582 19942 4064 1 8 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.970 -0.087 19942 4065 1 8 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.812 2.975 19942 4066 1 8 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.058 -1.191 19942 4067 1 8 . 1 1 76 76 ILE N N 76 126.694 126.694 127.555 -0.861 19942 4068 1 8 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.515 0.160 19942 4069 1 8 . 1 1 76 76 ILE C C 76 173.870 173.870 174.003 -0.133 19942 4070 1 8 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.892 0.651 19942 4071 1 8 . 1 1 76 76 ILE CB C 76 40.920 40.920 41.107 -0.187 19942 4072 1 8 . 1 1 76 76 ILE H H 76 8.982 8.982 8.147 0.835 19942 4073 1 8 . 1 1 77 77 ALA N N 77 126.455 126.455 129.779 -3.324 19942 4074 1 8 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.934 -0.435 19942 4075 1 8 . 1 1 77 77 ALA C C 77 175.857 175.857 176.207 -0.350 19942 4076 1 8 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.712 0.080 19942 4077 1 8 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.021 0.651 19942 4078 1 8 . 1 1 77 77 ALA H H 77 8.431 8.431 8.825 -0.394 19942 4079 1 8 . 1 1 78 78 THR N N 78 116.767 116.767 119.755 -2.988 19942 4080 1 8 . 1 1 78 78 THR HA H 78 4.849 4.849 4.562 0.287 19942 4081 1 8 . 1 1 78 78 THR C C 78 173.211 173.211 172.514 0.697 19942 4082 1 8 . 1 1 78 78 THR CA C 78 61.343 61.343 62.032 -0.689 19942 4083 1 8 . 1 1 78 78 THR CB C 78 71.627 71.627 71.389 0.238 19942 4084 1 8 . 1 1 78 78 THR H H 78 8.135 8.135 8.340 -0.205 19942 4085 1 8 . 1 1 79 79 TYR N N 79 127.950 127.950 128.650 -0.700 19942 4086 1 8 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.783 -0.154 19942 4087 1 8 . 1 1 79 79 TYR C C 79 174.921 174.921 175.087 -0.166 19942 4088 1 8 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.589 0.917 19942 4089 1 8 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.578 -0.007 19942 4090 1 8 . 1 1 79 79 TYR H H 79 9.136 9.136 8.951 0.185 19942 4091 1 8 . 1 1 80 80 GLY N N 80 118.393 118.393 116.184 2.209 19942 4092 1 8 . 1 1 80 80 GLY C C 80 174.902 174.902 174.252 0.650 19942 4093 1 8 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.538 0.331 19942 4094 1 8 . 1 1 80 80 GLY H H 80 8.786 8.786 8.143 0.643 19942 4095 1 8 . 1 1 81 81 SER N N 81 113.872 113.872 118.806 -4.934 19942 4096 1 8 . 1 1 81 81 SER HA H 81 4.348 4.348 4.544 -0.196 19942 4097 1 8 . 1 1 81 81 SER C C 81 173.279 173.279 173.741 -0.462 19942 4098 1 8 . 1 1 81 81 SER CA C 81 58.658 58.658 59.131 -0.473 19942 4099 1 8 . 1 1 81 81 SER CB C 81 63.490 63.490 64.055 -0.565 19942 4100 1 8 . 1 1 81 81 SER H H 81 7.878 7.878 8.237 -0.359 19942 4101 1 8 . 1 1 82 82 VAL N N 82 124.320 124.320 123.602 0.718 19942 4102 1 8 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.368 -0.119 19942 4103 1 8 . 1 1 82 82 VAL C C 82 173.455 173.455 173.890 -0.435 19942 4104 1 8 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.742 -0.090 19942 4105 1 8 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.547 -1.081 19942 4106 1 8 . 1 1 82 82 VAL H H 82 7.845 7.845 8.116 -0.271 19942 4107 1 8 . 1 1 83 83 SER N N 83 119.056 119.056 121.044 -1.988 19942 4108 1 8 . 1 1 83 83 SER HA H 83 5.507 5.507 4.895 0.612 19942 4109 1 8 . 1 1 83 83 SER C C 83 173.841 173.841 173.462 0.379 19942 4110 1 8 . 1 1 83 83 SER CA C 83 56.624 56.624 56.821 -0.197 19942 4111 1 8 . 1 1 83 83 SER CB C 83 66.733 66.733 66.619 0.114 19942 4112 1 8 . 1 1 83 83 SER H H 83 8.549 8.549 8.398 0.151 19942 4113 1 8 . 1 1 84 84 GLY N N 84 111.431 111.431 109.064 2.367 19942 4114 1 8 . 1 1 84 84 GLY C C 84 171.253 171.253 172.258 -1.005 19942 4115 1 8 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.207 0.076 19942 4116 1 8 . 1 1 84 84 GLY H H 84 8.957 8.957 8.811 0.146 19942 4117 1 8 . 1 1 85 85 ASN N N 85 114.909 114.909 120.144 -5.235 19942 4118 1 8 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.198 0.701 19942 4119 1 8 . 1 1 85 85 ASN C C 85 174.553 174.553 174.889 -0.336 19942 4120 1 8 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.196 0.598 19942 4121 1 8 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.886 1.260 19942 4122 1 8 . 1 1 85 85 ASN H H 85 8.752 8.752 8.424 0.328 19942 4123 1 8 . 1 1 86 86 THR N N 86 114.501 114.501 113.860 0.641 19942 4124 1 8 . 1 1 86 86 THR HA H 86 4.677 4.677 4.600 0.077 19942 4125 1 8 . 1 1 86 86 THR C C 86 170.890 170.890 173.705 -2.815 19942 4126 1 8 . 1 1 86 86 THR CA C 86 61.715 61.715 60.917 0.798 19942 4127 1 8 . 1 1 86 86 THR CB C 86 70.636 70.636 70.685 -0.049 19942 4128 1 8 . 1 1 86 86 THR H H 86 8.922 8.922 8.123 0.799 19942 4129 1 8 . 1 1 87 87 ILE N N 87 125.857 125.857 121.085 4.772 19942 4130 1 8 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.300 0.242 19942 4131 1 8 . 1 1 87 87 ILE C C 87 175.495 175.495 174.894 0.601 19942 4132 1 8 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.492 1.751 19942 4133 1 8 . 1 1 87 87 ILE CB C 87 39.423 39.423 37.545 1.878 19942 4134 1 8 . 1 1 87 87 ILE H H 87 8.020 8.020 8.259 -0.239 19942 4135 1 8 . 1 1 88 88 LEU N N 88 129.304 129.304 130.419 -1.115 19942 4136 1 8 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.813 -0.130 19942 4137 1 8 . 1 1 88 88 LEU C C 88 174.979 174.979 175.190 -0.211 19942 4138 1 8 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.700 0.038 19942 4139 1 8 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.796 0.840 19942 4140 1 8 . 1 1 88 88 LEU H H 88 8.797 8.797 8.171 0.626 19942 4141 1 8 . 1 1 89 89 THR N N 89 117.751 117.751 122.712 -4.961 19942 4142 1 8 . 1 1 89 89 THR HA H 89 4.749 4.749 4.561 0.188 19942 4143 1 8 . 1 1 89 89 THR C C 89 173.269 173.269 173.049 0.220 19942 4144 1 8 . 1 1 89 89 THR CA C 89 62.794 62.794 61.530 1.264 19942 4145 1 8 . 1 1 89 89 THR CB C 89 70.202 70.202 71.265 -1.063 19942 4146 1 8 . 1 1 89 89 THR H H 89 7.882 7.882 8.883 -1.001 19942 4147 1 8 . 1 1 90 90 VAL N N 90 127.485 127.485 124.542 2.943 19942 4148 1 8 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.127 0.710 19942 4149 1 8 . 1 1 90 90 VAL C C 90 176.460 176.460 174.666 1.794 19942 4150 1 8 . 1 1 90 90 VAL CA C 90 60.411 60.411 61.758 -1.347 19942 4151 1 8 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.863 -0.204 19942 4152 1 8 . 1 1 90 90 VAL H H 90 9.139 9.139 8.036 1.103 19942 4153 1 8 . 1 1 91 91 ASN N N 91 126.674 126.674 125.763 0.911 19942 4154 1 8 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.803 0.036 19942 4155 1 8 . 1 1 91 91 ASN C C 91 174.311 174.311 173.744 0.567 19942 4156 1 8 . 1 1 91 91 ASN CA C 91 52.779 52.779 52.221 0.558 19942 4157 1 8 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.093 -0.316 19942 4158 1 8 . 1 1 91 91 ASN H H 91 8.992 8.992 8.626 0.366 19942 4159 1 8 . 1 1 92 92 LYS N N 92 122.622 122.622 125.980 -3.358 19942 4160 1 8 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.572 -0.154 19942 4161 1 8 . 1 1 92 92 LYS C C 92 176.757 176.757 177.201 -0.444 19942 4162 1 8 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.804 0.666 19942 4163 1 8 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.147 0.155 19942 4164 1 8 . 1 1 92 92 LYS H H 92 8.556 8.556 8.403 0.153 19942 4165 1 8 . 1 1 93 93 THR N N 93 119.358 119.358 118.209 1.149 19942 4166 1 8 . 1 1 93 93 THR HA H 93 4.315 4.315 4.077 0.238 19942 4167 1 8 . 1 1 93 93 THR C C 93 174.018 174.018 175.050 -1.032 19942 4168 1 8 . 1 1 93 93 THR CA C 93 62.060 62.060 65.798 -3.738 19942 4169 1 8 . 1 1 93 93 THR CB C 93 69.715 69.715 69.299 0.416 19942 4170 1 8 . 1 1 93 93 THR H H 93 8.439 8.439 8.586 -0.147 19942 4171 1 8 . 1 1 94 94 ASP N N 94 124.142 124.142 121.151 2.991 19942 4172 1 8 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.874 -0.209 19942 4173 1 8 . 1 1 94 94 ASP C C 94 175.464 175.464 176.538 -1.074 19942 4174 1 8 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.509 1.006 19942 4175 1 8 . 1 1 94 94 ASP CB C 94 41.117 41.117 39.576 1.541 19942 4176 1 8 . 1 1 94 94 ASP H H 94 8.583 8.583 8.475 0.108 19942 4177 1 9 . 1 1 3 3 ALA N N 3 123.810 123.810 119.886 3.924 19942 4178 1 9 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.378 -0.169 19942 4179 1 9 . 1 1 3 3 ALA C C 3 177.476 177.476 177.636 -0.160 19942 4180 1 9 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.857 0.593 19942 4181 1 9 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.780 -0.263 19942 4182 1 9 . 1 1 3 3 ALA H H 3 8.387 8.387 7.949 0.438 19942 4183 1 9 . 1 1 4 4 THR N N 4 113.060 113.060 112.961 0.099 19942 4184 1 9 . 1 1 4 4 THR HA H 4 4.621 4.621 4.653 -0.032 19942 4185 1 9 . 1 1 4 4 THR C C 4 174.426 174.426 173.646 0.780 19942 4186 1 9 . 1 1 4 4 THR CA C 4 60.020 60.020 59.809 0.211 19942 4187 1 9 . 1 1 4 4 THR CB C 4 71.041 71.041 71.765 -0.724 19942 4188 1 9 . 1 1 4 4 THR H H 4 8.593 8.593 8.280 0.313 19942 4189 1 9 . 1 1 5 5 LEU N N 5 125.889 125.889 123.278 2.611 19942 4190 1 9 . 1 1 5 5 LEU HA H 5 3.436 3.436 3.896 -0.460 19942 4191 1 9 . 1 1 5 5 LEU C C 5 175.432 175.432 176.600 -1.168 19942 4192 1 9 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.787 0.404 19942 4193 1 9 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.494 -0.235 19942 4194 1 9 . 1 1 5 5 LEU H H 5 8.888 8.888 8.508 0.380 19942 4195 1 9 . 1 1 6 6 SER N N 6 123.564 123.564 123.390 0.174 19942 4196 1 9 . 1 1 6 6 SER HA H 6 4.574 4.574 4.383 0.191 19942 4197 1 9 . 1 1 6 6 SER C C 6 174.217 174.217 174.541 -0.324 19942 4198 1 9 . 1 1 6 6 SER CA C 6 59.688 59.688 60.214 -0.526 19942 4199 1 9 . 1 1 6 6 SER CB C 6 64.300 64.300 63.893 0.407 19942 4200 1 9 . 1 1 6 6 SER H H 6 9.155 9.155 8.775 0.380 19942 4201 1 9 . 1 1 7 7 SER N N 7 112.212 112.212 114.540 -2.328 19942 4202 1 9 . 1 1 7 7 SER HA H 7 4.499 4.499 4.677 -0.178 19942 4203 1 9 . 1 1 7 7 SER C C 7 171.592 171.592 172.590 -0.998 19942 4204 1 9 . 1 1 7 7 SER CA C 7 57.676 57.676 57.559 0.117 19942 4205 1 9 . 1 1 7 7 SER CB C 7 64.795 64.795 65.442 -0.647 19942 4206 1 9 . 1 1 7 7 SER H H 7 7.913 7.913 7.564 0.349 19942 4207 1 9 . 1 1 8 8 ILE N N 8 120.132 120.132 120.990 -0.858 19942 4208 1 9 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.209 0.452 19942 4209 1 9 . 1 1 8 8 ILE C C 8 174.094 174.094 175.623 -1.529 19942 4210 1 9 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.637 -0.320 19942 4211 1 9 . 1 1 8 8 ILE CB C 8 42.926 42.926 39.889 3.037 19942 4212 1 9 . 1 1 8 8 ILE H H 8 8.628 8.628 8.367 0.261 19942 4213 1 9 . 1 1 9 9 SER N N 9 120.939 120.939 122.487 -1.548 19942 4214 1 9 . 1 1 9 9 SER HA H 9 4.907 4.907 4.866 0.041 19942 4215 1 9 . 1 1 9 9 SER C C 9 173.176 173.176 172.986 0.190 19942 4216 1 9 . 1 1 9 9 SER CA C 9 56.291 56.291 57.115 -0.825 19942 4217 1 9 . 1 1 9 9 SER CB C 9 65.325 65.325 65.646 -0.321 19942 4218 1 9 . 1 1 9 9 SER H H 9 8.761 8.761 8.830 -0.069 19942 4219 1 9 . 1 1 10 10 ILE N N 10 126.047 126.047 122.731 3.316 19942 4220 1 9 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.510 0.967 19942 4221 1 9 . 1 1 10 10 ILE C C 10 175.259 175.259 175.768 -0.509 19942 4222 1 9 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.487 -1.395 19942 4223 1 9 . 1 1 10 10 ILE CB C 10 39.842 39.842 40.731 -0.889 19942 4224 1 9 . 1 1 10 10 ILE H H 10 8.852 8.852 8.508 0.344 19942 4225 1 9 . 1 1 11 11 SER N N 11 122.938 122.938 123.793 -0.855 19942 4226 1 9 . 1 1 11 11 SER HA H 11 4.704 4.704 5.049 -0.345 19942 4227 1 9 . 1 1 11 11 SER C C 11 170.288 170.288 173.502 -3.214 19942 4228 1 9 . 1 1 11 11 SER CA C 11 55.401 55.401 56.406 -1.005 19942 4229 1 9 . 1 1 11 11 SER CB C 11 65.248 65.248 64.795 0.453 19942 4230 1 9 . 1 1 11 11 SER H H 11 9.108 9.108 9.068 0.040 19942 4231 1 9 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.344 0.353 19942 4232 1 9 . 1 1 12 12 PRO C C 12 175.467 175.467 176.287 -0.820 19942 4233 1 9 . 1 1 12 12 PRO CA C 12 61.456 61.456 64.052 -2.596 19942 4234 1 9 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.018 2.888 19942 4235 1 9 . 1 1 13 13 ILE N N 13 118.003 118.003 117.618 0.385 19942 4236 1 9 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.211 0.140 19942 4237 1 9 . 1 1 13 13 ILE C C 13 176.535 176.535 176.956 -0.421 19942 4238 1 9 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.371 0.721 19942 4239 1 9 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.330 -0.097 19942 4240 1 9 . 1 1 13 13 ILE H H 13 8.233 8.233 8.295 -0.062 19942 4241 1 9 . 1 1 14 14 ASN N N 14 122.727 122.727 121.023 1.704 19942 4242 1 9 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.605 0.171 19942 4243 1 9 . 1 1 14 14 ASN C C 14 175.286 175.286 175.042 0.244 19942 4244 1 9 . 1 1 14 14 ASN CA C 14 53.586 53.586 53.806 -0.221 19942 4245 1 9 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.106 -0.610 19942 4246 1 9 . 1 1 14 14 ASN H H 14 8.501 8.501 8.572 -0.071 19942 4247 1 9 . 1 1 15 15 THR N N 15 114.899 114.899 111.189 3.710 19942 4248 1 9 . 1 1 15 15 THR HA H 15 4.587 4.587 4.272 0.315 19942 4249 1 9 . 1 1 15 15 THR C C 15 173.339 173.339 173.563 -0.224 19942 4250 1 9 . 1 1 15 15 THR CA C 15 61.059 61.059 62.304 -1.245 19942 4251 1 9 . 1 1 15 15 THR CB C 15 69.683 69.683 68.097 1.587 19942 4252 1 9 . 1 1 15 15 THR H H 15 8.878 8.878 8.316 0.562 19942 4253 1 9 . 1 1 16 16 ASN N N 16 119.994 119.994 123.796 -3.802 19942 4254 1 9 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.361 0.453 19942 4255 1 9 . 1 1 16 16 ASN C C 16 173.995 173.995 173.841 0.154 19942 4256 1 9 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.836 -0.450 19942 4257 1 9 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.924 -1.545 19942 4258 1 9 . 1 1 16 16 ASN H H 16 8.293 8.293 7.864 0.429 19942 4259 1 9 . 1 1 17 17 ILE N N 17 118.356 118.356 121.239 -2.883 19942 4260 1 9 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.441 0.282 19942 4261 1 9 . 1 1 17 17 ILE C C 17 173.556 173.556 173.945 -0.389 19942 4262 1 9 . 1 1 17 17 ILE CA C 17 59.491 59.491 58.554 0.937 19942 4263 1 9 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.318 1.119 19942 4264 1 9 . 1 1 17 17 ILE H H 17 8.962 8.962 8.279 0.683 19942 4265 1 9 . 1 1 18 18 ASN N N 18 122.798 122.798 123.617 -0.819 19942 4266 1 9 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.968 0.571 19942 4267 1 9 . 1 1 18 18 ASN C C 18 176.607 176.607 175.241 1.366 19942 4268 1 9 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.091 -0.799 19942 4269 1 9 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.633 -1.290 19942 4270 1 9 . 1 1 18 18 ASN H H 18 8.404 8.404 8.453 -0.049 19942 4271 1 9 . 1 1 19 19 THR C C 19 175.737 175.737 174.987 0.750 19942 4272 1 9 . 1 1 19 19 THR CA C 19 62.695 62.695 63.774 -1.079 19942 4273 1 9 . 1 1 19 19 THR CB C 19 68.758 68.758 68.102 0.656 19942 4274 1 9 . 1 1 20 20 THR N N 20 113.750 113.750 115.734 -1.984 19942 4275 1 9 . 1 1 20 20 THR HA H 20 4.281 4.281 3.973 0.308 19942 4276 1 9 . 1 1 20 20 THR C C 20 173.630 173.630 173.233 0.397 19942 4277 1 9 . 1 1 20 20 THR CA C 20 64.559 64.559 63.394 1.165 19942 4278 1 9 . 1 1 20 20 THR CB C 20 69.925 69.925 67.661 2.264 19942 4279 1 9 . 1 1 20 20 THR H H 20 8.400 8.400 8.572 -0.172 19942 4280 1 9 . 1 1 21 21 VAL N N 21 124.237 124.237 121.004 3.233 19942 4281 1 9 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.296 -0.048 19942 4282 1 9 . 1 1 21 21 VAL C C 21 175.464 175.464 175.374 0.090 19942 4283 1 9 . 1 1 21 21 VAL CA C 21 62.273 62.273 61.319 0.953 19942 4284 1 9 . 1 1 21 21 VAL H H 21 7.953 7.953 7.684 0.269 19942 4285 1 9 . 1 1 22 22 SER HA H 22 5.542 5.542 4.701 0.841 19942 4286 1 9 . 1 1 22 22 SER C C 22 173.145 173.145 173.536 -0.391 19942 4287 1 9 . 1 1 22 22 SER CA C 22 58.153 58.153 58.744 -0.591 19942 4288 1 9 . 1 1 22 22 SER CB C 22 64.768 64.768 63.995 0.773 19942 4289 1 9 . 1 1 23 23 LYS N N 23 124.177 124.177 126.146 -1.969 19942 4290 1 9 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.438 0.072 19942 4291 1 9 . 1 1 23 23 LYS C C 23 173.847 173.847 173.822 0.025 19942 4292 1 9 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.241 -0.290 19942 4293 1 9 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.462 1.454 19942 4294 1 9 . 1 1 23 23 LYS H H 23 9.372 9.372 8.182 1.190 19942 4295 1 9 . 1 1 24 24 GLN N N 24 128.777 128.777 125.588 3.189 19942 4296 1 9 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.368 -0.684 19942 4297 1 9 . 1 1 24 24 GLN C C 24 173.229 173.229 174.019 -0.790 19942 4298 1 9 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.825 2.303 19942 4299 1 9 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.312 -1.794 19942 4300 1 9 . 1 1 24 24 GLN H H 24 8.742 8.742 8.268 0.474 19942 4301 1 9 . 1 1 25 25 PHE N N 25 128.481 128.481 118.808 9.673 19942 4302 1 9 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.572 0.433 19942 4303 1 9 . 1 1 25 25 PHE C C 25 174.268 174.268 173.607 0.661 19942 4304 1 9 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.429 1.929 19942 4305 1 9 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.679 0.154 19942 4306 1 9 . 1 1 25 25 PHE H H 25 7.728 7.728 6.475 1.253 19942 4307 1 9 . 1 1 26 26 PHE N N 26 114.641 114.641 118.636 -3.995 19942 4308 1 9 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.095 0.432 19942 4309 1 9 . 1 1 26 26 PHE C C 26 175.679 175.679 175.195 0.484 19942 4310 1 9 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.778 0.374 19942 4311 1 9 . 1 1 26 26 PHE CB C 26 42.737 42.737 41.992 0.745 19942 4312 1 9 . 1 1 26 26 PHE H H 26 9.354 9.354 7.879 1.475 19942 4313 1 9 . 1 1 27 27 ALA N N 27 123.352 123.352 125.544 -2.192 19942 4314 1 9 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.268 -0.063 19942 4315 1 9 . 1 1 27 27 ALA C C 27 174.966 174.966 175.667 -0.701 19942 4316 1 9 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.452 -0.506 19942 4317 1 9 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.135 0.755 19942 4318 1 9 . 1 1 27 27 ALA H H 27 8.935 8.935 9.492 -0.557 19942 4319 1 9 . 1 1 28 28 VAL N N 28 122.875 122.875 125.492 -2.617 19942 4320 1 9 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.944 -0.277 19942 4321 1 9 . 1 1 28 28 VAL C C 28 177.371 177.371 175.151 2.220 19942 4322 1 9 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.586 0.628 19942 4323 1 9 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.989 -0.694 19942 4324 1 9 . 1 1 28 28 VAL H H 28 8.933 8.933 8.493 0.440 19942 4325 1 9 . 1 1 29 29 GLY N N 29 118.628 118.628 114.012 4.616 19942 4326 1 9 . 1 1 29 29 GLY C C 29 171.637 171.637 172.691 -1.054 19942 4327 1 9 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.484 1.572 19942 4328 1 9 . 1 1 29 29 GLY H H 29 9.852 9.852 8.902 0.950 19942 4329 1 9 . 1 1 30 30 THR N N 30 119.749 119.749 120.946 -1.197 19942 4330 1 9 . 1 1 30 30 THR HA H 30 5.033 5.033 5.179 -0.146 19942 4331 1 9 . 1 1 30 30 THR C C 30 173.854 173.854 173.756 0.098 19942 4332 1 9 . 1 1 30 30 THR CA C 30 62.384 62.384 62.060 0.324 19942 4333 1 9 . 1 1 30 30 THR CB C 30 69.631 69.631 70.395 -0.764 19942 4334 1 9 . 1 1 30 30 THR H H 30 8.632 8.632 7.879 0.753 19942 4335 1 9 . 1 1 31 31 TYR N N 31 126.778 126.778 127.348 -0.570 19942 4336 1 9 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.829 0.190 19942 4337 1 9 . 1 1 31 31 TYR C C 31 179.438 179.438 178.207 1.231 19942 4338 1 9 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.146 -0.134 19942 4339 1 9 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.487 1.383 19942 4340 1 9 . 1 1 31 31 TYR H H 31 9.411 9.411 9.270 0.141 19942 4341 1 9 . 1 1 32 32 SER N N 32 118.249 118.249 118.998 -0.749 19942 4342 1 9 . 1 1 32 32 SER HA H 32 4.112 4.112 4.205 -0.093 19942 4343 1 9 . 1 1 32 32 SER C C 32 174.175 174.175 175.104 -0.929 19942 4344 1 9 . 1 1 32 32 SER CA C 32 61.407 61.407 60.660 0.747 19942 4345 1 9 . 1 1 32 32 SER CB C 32 62.779 62.779 62.890 -0.111 19942 4346 1 9 . 1 1 32 32 SER H H 32 9.767 9.767 8.553 1.214 19942 4347 1 9 . 1 1 33 33 ASP N N 33 119.614 119.614 120.294 -0.680 19942 4348 1 9 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.677 0.057 19942 4349 1 9 . 1 1 33 33 ASP C C 33 177.097 177.097 177.234 -0.137 19942 4350 1 9 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.371 -1.696 19942 4351 1 9 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.152 0.369 19942 4352 1 9 . 1 1 33 33 ASP H H 33 7.702 7.702 7.903 -0.201 19942 4353 1 9 . 1 1 34 34 GLY N N 34 108.749 108.749 107.179 1.570 19942 4354 1 9 . 1 1 34 34 GLY C C 34 174.828 174.828 174.628 0.200 19942 4355 1 9 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.502 -0.209 19942 4356 1 9 . 1 1 34 34 GLY H H 34 8.420 8.420 8.491 -0.071 19942 4357 1 9 . 1 1 35 35 THR N N 35 113.544 113.544 117.004 -3.460 19942 4358 1 9 . 1 1 35 35 THR HA H 35 4.297 4.297 4.439 -0.142 19942 4359 1 9 . 1 1 35 35 THR C C 35 173.074 173.074 173.528 -0.454 19942 4360 1 9 . 1 1 35 35 THR CA C 35 62.762 62.762 62.406 0.356 19942 4361 1 9 . 1 1 35 35 THR CB C 35 71.079 71.079 70.106 0.973 19942 4362 1 9 . 1 1 35 35 THR H H 35 7.863 7.863 7.752 0.111 19942 4363 1 9 . 1 1 36 36 LYS N N 36 118.248 118.248 122.962 -4.714 19942 4364 1 9 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.407 0.520 19942 4365 1 9 . 1 1 36 36 LYS C C 36 176.847 176.847 175.378 1.469 19942 4366 1 9 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.005 -0.474 19942 4367 1 9 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.041 0.882 19942 4368 1 9 . 1 1 36 36 LYS H H 36 8.374 8.374 8.466 -0.092 19942 4369 1 9 . 1 1 37 37 ALA N N 37 121.621 121.621 124.262 -2.641 19942 4370 1 9 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.591 0.077 19942 4371 1 9 . 1 1 37 37 ALA C C 37 175.556 175.556 174.663 0.893 19942 4372 1 9 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.583 -0.206 19942 4373 1 9 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.981 1.556 19942 4374 1 9 . 1 1 37 37 ALA H H 37 8.892 8.892 8.437 0.455 19942 4375 1 9 . 1 1 38 38 ASP N N 38 121.602 121.602 120.366 1.236 19942 4376 1 9 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.970 -0.110 19942 4377 1 9 . 1 1 38 38 ASP C C 38 176.487 176.487 175.984 0.503 19942 4378 1 9 . 1 1 38 38 ASP CA C 38 55.234 55.234 53.554 1.680 19942 4379 1 9 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.014 -0.239 19942 4380 1 9 . 1 1 38 38 ASP H H 38 8.983 8.983 8.474 0.509 19942 4381 1 9 . 1 1 39 39 LEU N N 39 128.342 128.342 124.306 4.036 19942 4382 1 9 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.727 0.134 19942 4383 1 9 . 1 1 39 39 LEU C C 39 177.565 177.565 177.196 0.369 19942 4384 1 9 . 1 1 39 39 LEU CA C 39 53.590 53.590 53.847 -0.257 19942 4385 1 9 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.671 2.262 19942 4386 1 9 . 1 1 39 39 LEU H H 39 9.218 9.218 9.052 0.166 19942 4387 1 9 . 1 1 40 40 THR N N 40 122.567 122.567 116.728 5.839 19942 4388 1 9 . 1 1 40 40 THR HA H 40 4.526 4.526 4.462 0.064 19942 4389 1 9 . 1 1 40 40 THR C C 40 174.562 174.562 176.385 -1.823 19942 4390 1 9 . 1 1 40 40 THR CA C 40 69.870 69.870 68.288 1.582 19942 4391 1 9 . 1 1 40 40 THR CB C 40 69.268 69.268 68.679 0.589 19942 4392 1 9 . 1 1 40 40 THR H H 40 8.983 8.983 8.404 0.579 19942 4393 1 9 . 1 1 41 41 SER N N 41 109.895 109.895 112.982 -3.087 19942 4394 1 9 . 1 1 41 41 SER HA H 41 4.465 4.465 4.579 -0.114 19942 4395 1 9 . 1 1 41 41 SER C C 41 174.686 174.686 174.940 -0.254 19942 4396 1 9 . 1 1 41 41 SER CA C 41 59.960 59.960 59.706 0.254 19942 4397 1 9 . 1 1 41 41 SER CB C 41 63.643 63.643 63.275 0.368 19942 4398 1 9 . 1 1 41 41 SER H H 41 8.749 8.749 8.624 0.125 19942 4399 1 9 . 1 1 42 42 SER N N 42 117.037 117.037 118.041 -1.004 19942 4400 1 9 . 1 1 42 42 SER HA H 42 4.706 4.706 4.766 -0.060 19942 4401 1 9 . 1 1 42 42 SER C C 42 175.240 175.240 174.862 0.378 19942 4402 1 9 . 1 1 42 42 SER CA C 42 59.742 59.742 58.461 1.281 19942 4403 1 9 . 1 1 42 42 SER CB C 42 64.724 64.724 64.342 0.382 19942 4404 1 9 . 1 1 42 42 SER H H 42 8.056 8.056 7.897 0.159 19942 4405 1 9 . 1 1 43 43 VAL N N 43 113.914 113.914 118.577 -4.663 19942 4406 1 9 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.890 -0.578 19942 4407 1 9 . 1 1 43 43 VAL C C 43 174.501 174.501 175.408 -0.907 19942 4408 1 9 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.611 0.461 19942 4409 1 9 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.883 -0.485 19942 4410 1 9 . 1 1 43 43 VAL H H 43 7.498 7.498 8.167 -0.669 19942 4411 1 9 . 1 1 44 44 THR N N 44 116.194 116.194 119.885 -3.691 19942 4412 1 9 . 1 1 44 44 THR HA H 44 4.515 4.515 4.776 -0.261 19942 4413 1 9 . 1 1 44 44 THR C C 44 175.110 175.110 174.171 0.939 19942 4414 1 9 . 1 1 44 44 THR CA C 44 62.468 62.468 62.093 0.375 19942 4415 1 9 . 1 1 44 44 THR CB C 44 69.914 69.914 70.014 -0.100 19942 4416 1 9 . 1 1 44 44 THR H H 44 9.020 9.020 7.977 1.043 19942 4417 1 9 . 1 1 45 45 TRP N N 45 133.716 133.716 129.396 4.320 19942 4418 1 9 . 1 1 45 45 TRP HA H 45 5.384 5.384 5.046 0.338 19942 4419 1 9 . 1 1 45 45 TRP C C 45 176.565 176.565 176.465 0.100 19942 4420 1 9 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.394 0.340 19942 4421 1 9 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.423 1.072 19942 4422 1 9 . 1 1 45 45 TRP H H 45 9.667 9.667 8.766 0.901 19942 4423 1 9 . 1 1 46 46 SER N N 46 117.142 117.142 118.511 -1.369 19942 4424 1 9 . 1 1 46 46 SER HA H 46 4.620 4.620 4.749 -0.129 19942 4425 1 9 . 1 1 46 46 SER C C 46 171.333 171.333 172.707 -1.374 19942 4426 1 9 . 1 1 46 46 SER CA C 46 58.013 58.013 57.385 0.628 19942 4427 1 9 . 1 1 46 46 SER CB C 46 65.605 65.605 66.462 -0.857 19942 4428 1 9 . 1 1 46 46 SER H H 46 10.001 10.001 8.703 1.298 19942 4429 1 9 . 1 1 47 47 SER N N 47 112.791 112.791 115.712 -2.921 19942 4430 1 9 . 1 1 47 47 SER HA H 47 5.530 5.530 5.273 0.257 19942 4431 1 9 . 1 1 47 47 SER C C 47 176.141 176.141 175.904 0.237 19942 4432 1 9 . 1 1 47 47 SER CA C 47 53.591 53.591 56.544 -2.953 19942 4433 1 9 . 1 1 47 47 SER CB C 47 66.167 66.167 65.563 0.604 19942 4434 1 9 . 1 1 47 47 SER H H 47 8.594 8.594 8.436 0.158 19942 4435 1 9 . 1 1 48 48 SER N N 48 122.562 122.562 119.886 2.676 19942 4436 1 9 . 1 1 48 48 SER HA H 48 4.289 4.289 4.376 -0.087 19942 4437 1 9 . 1 1 48 48 SER C C 48 174.767 174.767 175.808 -1.041 19942 4438 1 9 . 1 1 48 48 SER CA C 48 60.419 60.419 60.332 0.087 19942 4439 1 9 . 1 1 48 48 SER CB C 48 62.630 62.630 63.476 -0.846 19942 4440 1 9 . 1 1 48 48 SER H H 48 9.685 9.685 8.381 1.304 19942 4441 1 9 . 1 1 49 49 ASN N N 49 118.253 118.253 122.203 -3.950 19942 4442 1 9 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.740 -0.007 19942 4443 1 9 . 1 1 49 49 ASN C C 49 175.845 175.845 174.782 1.063 19942 4444 1 9 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.348 0.218 19942 4445 1 9 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.766 1.318 19942 4446 1 9 . 1 1 49 49 ASN H H 49 8.006 8.006 7.966 0.040 19942 4447 1 9 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.367 0.177 19942 4448 1 9 . 1 1 50 50 GLN C C 50 175.944 175.944 178.039 -2.095 19942 4449 1 9 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.566 -1.104 19942 4450 1 9 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.032 -0.119 19942 4451 1 9 . 1 1 51 51 SER N N 51 113.229 113.229 114.498 -1.269 19942 4452 1 9 . 1 1 51 51 SER HA H 51 4.302 4.302 4.313 -0.011 19942 4453 1 9 . 1 1 51 51 SER C C 51 173.524 173.524 175.003 -1.479 19942 4454 1 9 . 1 1 51 51 SER CA C 51 59.973 59.973 60.833 -0.860 19942 4455 1 9 . 1 1 51 51 SER CB C 51 62.832 62.832 63.439 -0.607 19942 4456 1 9 . 1 1 51 51 SER H H 51 8.205 8.205 8.676 -0.471 19942 4457 1 9 . 1 1 52 52 GLN N N 52 116.510 116.510 117.728 -1.218 19942 4458 1 9 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.532 0.026 19942 4459 1 9 . 1 1 52 52 GLN C C 52 176.697 176.697 173.828 2.869 19942 4460 1 9 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.871 0.245 19942 4461 1 9 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.940 -0.356 19942 4462 1 9 . 1 1 52 52 GLN H H 52 7.277 7.277 8.263 -0.986 19942 4463 1 9 . 1 1 53 53 ALA N N 53 119.325 119.325 119.366 -0.041 19942 4464 1 9 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.675 0.233 19942 4465 1 9 . 1 1 53 53 ALA C C 53 174.225 174.225 175.010 -0.785 19942 4466 1 9 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.690 0.688 19942 4467 1 9 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.271 -0.175 19942 4468 1 9 . 1 1 53 53 ALA H H 53 8.150 8.150 7.100 1.050 19942 4469 1 9 . 1 1 54 54 LYS N N 54 120.764 120.764 120.419 0.345 19942 4470 1 9 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.809 0.100 19942 4471 1 9 . 1 1 54 54 LYS C C 54 173.892 173.892 174.380 -0.488 19942 4472 1 9 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.178 -1.416 19942 4473 1 9 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.741 -0.633 19942 4474 1 9 . 1 1 54 54 LYS H H 54 8.397 8.397 7.987 0.410 19942 4475 1 9 . 1 1 55 55 VAL N N 55 118.409 118.409 123.989 -5.580 19942 4476 1 9 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.593 0.340 19942 4477 1 9 . 1 1 55 55 VAL C C 55 172.770 172.770 174.810 -2.040 19942 4478 1 9 . 1 1 55 55 VAL CA C 55 58.070 58.070 60.525 -2.455 19942 4479 1 9 . 1 1 55 55 VAL CB C 55 34.874 34.874 33.025 1.849 19942 4480 1 9 . 1 1 55 55 VAL H H 55 8.748 8.748 8.494 0.254 19942 4481 1 9 . 1 1 56 56 SER N N 56 119.976 119.976 125.232 -5.256 19942 4482 1 9 . 1 1 56 56 SER HA H 56 4.364 4.364 4.755 -0.391 19942 4483 1 9 . 1 1 56 56 SER C C 56 174.635 174.635 173.192 1.443 19942 4484 1 9 . 1 1 56 56 SER CA C 56 57.399 57.399 57.703 -0.304 19942 4485 1 9 . 1 1 56 56 SER CB C 56 63.633 63.633 64.849 -1.216 19942 4486 1 9 . 1 1 56 56 SER H H 56 7.851 7.851 8.352 -0.501 19942 4487 1 9 . 1 1 57 57 ASN N N 57 124.627 124.627 122.297 2.330 19942 4488 1 9 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.791 0.466 19942 4489 1 9 . 1 1 57 57 ASN C C 57 174.450 174.450 174.172 0.278 19942 4490 1 9 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.626 0.762 19942 4491 1 9 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.120 1.411 19942 4492 1 9 . 1 1 57 57 ASN H H 57 9.190 9.190 8.320 0.870 19942 4493 1 9 . 1 1 58 58 ALA N N 58 127.007 127.007 125.150 1.857 19942 4494 1 9 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.514 -0.176 19942 4495 1 9 . 1 1 58 58 ALA C C 58 178.628 178.628 178.016 0.612 19942 4496 1 9 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.451 0.777 19942 4497 1 9 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.190 -1.280 19942 4498 1 9 . 1 1 58 58 ALA H H 58 8.121 8.121 8.605 -0.484 19942 4499 1 9 . 1 1 59 59 SER N N 59 116.407 116.407 113.855 2.552 19942 4500 1 9 . 1 1 59 59 SER HA H 59 4.888 4.888 4.222 0.666 19942 4501 1 9 . 1 1 59 59 SER C C 59 176.729 176.729 176.617 0.112 19942 4502 1 9 . 1 1 59 59 SER CA C 59 62.500 62.500 61.240 1.260 19942 4503 1 9 . 1 1 59 59 SER CB C 59 63.113 63.113 63.186 -0.073 19942 4504 1 9 . 1 1 59 59 SER H H 59 8.767 8.767 8.631 0.136 19942 4505 1 9 . 1 1 60 60 GLU N N 60 117.093 117.093 118.367 -1.274 19942 4506 1 9 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.270 -0.038 19942 4507 1 9 . 1 1 60 60 GLU C C 60 177.467 177.467 177.281 0.186 19942 4508 1 9 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.027 0.689 19942 4509 1 9 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.424 0.187 19942 4510 1 9 . 1 1 60 60 GLU H H 60 9.190 9.190 8.395 0.795 19942 4511 1 9 . 1 1 61 61 THR N N 61 107.270 107.270 108.297 -1.027 19942 4512 1 9 . 1 1 61 61 THR HA H 61 4.820 4.820 4.319 0.501 19942 4513 1 9 . 1 1 61 61 THR C C 61 173.068 173.068 174.846 -1.778 19942 4514 1 9 . 1 1 61 61 THR CA C 61 59.191 59.191 61.588 -2.397 19942 4515 1 9 . 1 1 61 61 THR CB C 61 69.219 69.219 68.680 0.540 19942 4516 1 9 . 1 1 61 61 THR H H 61 7.369 7.369 7.694 -0.325 19942 4517 1 9 . 1 1 62 62 LYS N N 62 122.917 122.917 123.102 -0.185 19942 4518 1 9 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.115 -0.429 19942 4519 1 9 . 1 1 62 62 LYS C C 62 178.225 178.225 176.794 1.431 19942 4520 1 9 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.087 0.034 19942 4521 1 9 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.841 0.449 19942 4522 1 9 . 1 1 62 62 LYS H H 62 6.924 6.924 7.673 -0.749 19942 4523 1 9 . 1 1 63 63 GLY N N 63 111.784 111.784 109.451 2.333 19942 4524 1 9 . 1 1 63 63 GLY C C 63 171.831 171.831 172.071 -0.240 19942 4525 1 9 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.327 0.028 19942 4526 1 9 . 1 1 63 63 GLY H H 63 7.966 7.966 8.599 -0.633 19942 4527 1 9 . 1 1 64 64 LEU N N 64 120.854 120.854 120.918 -0.064 19942 4528 1 9 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.351 -0.291 19942 4529 1 9 . 1 1 64 64 LEU C C 64 176.666 176.666 174.492 2.174 19942 4530 1 9 . 1 1 64 64 LEU CA C 64 55.563 55.563 54.021 1.542 19942 4531 1 9 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.120 -1.048 19942 4532 1 9 . 1 1 64 64 LEU H H 64 7.785 7.785 7.653 0.132 19942 4533 1 9 . 1 1 65 65 VAL N N 65 135.184 135.184 126.338 8.846 19942 4534 1 9 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.428 0.208 19942 4535 1 9 . 1 1 65 65 VAL C C 65 174.956 174.956 174.635 0.321 19942 4536 1 9 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.907 0.416 19942 4537 1 9 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.814 -2.818 19942 4538 1 9 . 1 1 65 65 VAL H H 65 8.973 8.973 7.961 1.012 19942 4539 1 9 . 1 1 66 66 THR N N 66 121.955 121.955 122.505 -0.550 19942 4540 1 9 . 1 1 66 66 THR HA H 66 4.774 4.774 4.620 0.154 19942 4541 1 9 . 1 1 66 66 THR C C 66 174.266 174.266 173.568 0.698 19942 4542 1 9 . 1 1 66 66 THR CA C 66 61.225 61.225 61.634 -0.409 19942 4543 1 9 . 1 1 66 66 THR CB C 66 71.190 71.190 70.544 0.646 19942 4544 1 9 . 1 1 66 66 THR H H 66 8.947 8.947 8.272 0.675 19942 4545 1 9 . 1 1 67 67 GLY N N 67 114.304 114.304 113.266 1.038 19942 4546 1 9 . 1 1 67 67 GLY C C 67 172.326 172.326 173.425 -1.099 19942 4547 1 9 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.855 2.377 19942 4548 1 9 . 1 1 67 67 GLY H H 67 9.201 9.201 8.219 0.982 19942 4549 1 9 . 1 1 68 68 ILE N N 68 126.492 126.492 124.255 2.237 19942 4550 1 9 . 1 1 68 68 ILE HA H 68 4.123 4.123 4.471 -0.348 19942 4551 1 9 . 1 1 68 68 ILE C C 68 175.021 175.021 175.307 -0.286 19942 4552 1 9 . 1 1 68 68 ILE CA C 68 61.608 61.608 62.436 -0.828 19942 4553 1 9 . 1 1 68 68 ILE CB C 68 39.154 39.154 39.406 -0.251 19942 4554 1 9 . 1 1 68 68 ILE H H 68 8.927 8.927 7.838 1.089 19942 4555 1 9 . 1 1 69 69 ALA N N 69 122.378 122.378 120.325 2.053 19942 4556 1 9 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.725 -0.330 19942 4557 1 9 . 1 1 69 69 ALA C C 69 174.111 174.111 175.612 -1.501 19942 4558 1 9 . 1 1 69 69 ALA CA C 69 51.859 51.859 51.669 0.190 19942 4559 1 9 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.843 1.214 19942 4560 1 9 . 1 1 69 69 ALA H H 69 8.413 8.413 7.533 0.880 19942 4561 1 9 . 1 1 70 70 SER N N 70 110.668 110.668 115.836 -5.168 19942 4562 1 9 . 1 1 70 70 SER HA H 70 4.013 4.013 4.468 -0.455 19942 4563 1 9 . 1 1 70 70 SER C C 70 174.180 174.180 173.515 0.665 19942 4564 1 9 . 1 1 70 70 SER CA C 70 58.620 58.620 58.152 0.468 19942 4565 1 9 . 1 1 70 70 SER CB C 70 64.114 64.114 63.778 0.336 19942 4566 1 9 . 1 1 70 70 SER H H 70 8.109 8.109 7.872 0.237 19942 4567 1 9 . 1 1 71 71 GLY N N 71 108.506 108.506 107.456 1.050 19942 4568 1 9 . 1 1 71 71 GLY C C 71 170.868 170.868 173.401 -2.533 19942 4569 1 9 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.501 -1.158 19942 4570 1 9 . 1 1 71 71 GLY H H 71 8.055 8.055 8.486 -0.431 19942 4571 1 9 . 1 1 72 72 ASN N N 72 116.234 116.234 118.397 -2.163 19942 4572 1 9 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.507 -0.615 19942 4573 1 9 . 1 1 72 72 ASN C C 72 171.109 171.109 172.813 -1.704 19942 4574 1 9 . 1 1 72 72 ASN CA C 72 51.409 51.409 50.875 0.534 19942 4575 1 9 . 1 1 72 72 ASN CB C 72 39.972 39.972 41.053 -1.081 19942 4576 1 9 . 1 1 72 72 ASN H H 72 8.238 8.238 7.801 0.438 19942 4577 1 9 . 1 1 73 73 PRO C C 73 173.522 173.522 175.884 -2.362 19942 4578 1 9 . 1 1 73 73 PRO CA C 73 63.322 63.322 63.132 0.190 19942 4579 1 9 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.430 -0.377 19942 4580 1 9 . 1 1 74 74 THR N N 74 115.192 115.192 119.981 -4.789 19942 4581 1 9 . 1 1 74 74 THR HA H 74 4.399 4.399 4.919 -0.520 19942 4582 1 9 . 1 1 74 74 THR C C 74 173.467 173.467 173.575 -0.108 19942 4583 1 9 . 1 1 74 74 THR CA C 74 61.852 61.852 62.086 -0.234 19942 4584 1 9 . 1 1 74 74 THR CB C 74 70.609 70.609 70.531 0.078 19942 4585 1 9 . 1 1 74 74 THR H H 74 8.775 8.775 8.525 0.250 19942 4586 1 9 . 1 1 75 75 ILE HA H 75 4.883 4.883 5.028 -0.145 19942 4587 1 9 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.408 3.379 19942 4588 1 9 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.740 -1.873 19942 4589 1 9 . 1 1 76 76 ILE N N 76 126.694 126.694 127.212 -0.518 19942 4590 1 9 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.509 0.166 19942 4591 1 9 . 1 1 76 76 ILE C C 76 173.870 173.870 174.338 -0.468 19942 4592 1 9 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.004 0.539 19942 4593 1 9 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.226 0.694 19942 4594 1 9 . 1 1 76 76 ILE H H 76 8.982 8.982 8.611 0.371 19942 4595 1 9 . 1 1 77 77 ALA N N 77 126.455 126.455 130.563 -4.108 19942 4596 1 9 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.968 -0.469 19942 4597 1 9 . 1 1 77 77 ALA C C 77 175.857 175.857 176.028 -0.171 19942 4598 1 9 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.624 0.169 19942 4599 1 9 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.269 0.403 19942 4600 1 9 . 1 1 77 77 ALA H H 77 8.431 8.431 8.843 -0.412 19942 4601 1 9 . 1 1 78 78 THR N N 78 116.767 116.767 120.909 -4.142 19942 4602 1 9 . 1 1 78 78 THR HA H 78 4.849 4.849 4.550 0.299 19942 4603 1 9 . 1 1 78 78 THR C C 78 173.211 173.211 172.598 0.613 19942 4604 1 9 . 1 1 78 78 THR CA C 78 61.343 61.343 61.881 -0.538 19942 4605 1 9 . 1 1 78 78 THR CB C 78 71.627 71.627 70.843 0.784 19942 4606 1 9 . 1 1 78 78 THR H H 78 8.135 8.135 8.068 0.067 19942 4607 1 9 . 1 1 79 79 TYR N N 79 127.950 127.950 128.349 -0.399 19942 4608 1 9 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.682 -0.053 19942 4609 1 9 . 1 1 79 79 TYR C C 79 174.921 174.921 175.094 -0.173 19942 4610 1 9 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.779 0.727 19942 4611 1 9 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.835 0.737 19942 4612 1 9 . 1 1 79 79 TYR H H 79 9.136 9.136 9.014 0.122 19942 4613 1 9 . 1 1 80 80 GLY N N 80 118.393 118.393 116.395 1.998 19942 4614 1 9 . 1 1 80 80 GLY C C 80 174.902 174.902 174.840 0.062 19942 4615 1 9 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.399 0.470 19942 4616 1 9 . 1 1 80 80 GLY H H 80 8.786 8.786 8.348 0.438 19942 4617 1 9 . 1 1 81 81 SER N N 81 113.872 113.872 119.566 -5.694 19942 4618 1 9 . 1 1 81 81 SER HA H 81 4.348 4.348 4.481 -0.133 19942 4619 1 9 . 1 1 81 81 SER C C 81 173.279 173.279 174.232 -0.953 19942 4620 1 9 . 1 1 81 81 SER CA C 81 58.658 58.658 59.058 -0.400 19942 4621 1 9 . 1 1 81 81 SER CB C 81 63.490 63.490 63.780 -0.290 19942 4622 1 9 . 1 1 81 81 SER H H 81 7.878 7.878 8.503 -0.625 19942 4623 1 9 . 1 1 82 82 VAL N N 82 124.320 124.320 122.874 1.446 19942 4624 1 9 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.355 -0.106 19942 4625 1 9 . 1 1 82 82 VAL C C 82 173.455 173.455 173.853 -0.398 19942 4626 1 9 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.754 -0.102 19942 4627 1 9 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.803 -1.337 19942 4628 1 9 . 1 1 82 82 VAL H H 82 7.845 7.845 7.783 0.062 19942 4629 1 9 . 1 1 83 83 SER N N 83 119.056 119.056 120.238 -1.182 19942 4630 1 9 . 1 1 83 83 SER HA H 83 5.507 5.507 5.141 0.366 19942 4631 1 9 . 1 1 83 83 SER C C 83 173.841 173.841 173.407 0.434 19942 4632 1 9 . 1 1 83 83 SER CA C 83 56.624 56.624 56.861 -0.237 19942 4633 1 9 . 1 1 83 83 SER CB C 83 66.733 66.733 66.817 -0.084 19942 4634 1 9 . 1 1 83 83 SER H H 83 8.549 8.549 8.382 0.167 19942 4635 1 9 . 1 1 84 84 GLY N N 84 111.431 111.431 108.587 2.844 19942 4636 1 9 . 1 1 84 84 GLY C C 84 171.253 171.253 172.084 -0.831 19942 4637 1 9 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.364 -0.081 19942 4638 1 9 . 1 1 84 84 GLY H H 84 8.957 8.957 8.773 0.184 19942 4639 1 9 . 1 1 85 85 ASN N N 85 114.909 114.909 121.061 -6.152 19942 4640 1 9 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.203 0.696 19942 4641 1 9 . 1 1 85 85 ASN C C 85 174.553 174.553 174.400 0.153 19942 4642 1 9 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.893 -0.099 19942 4643 1 9 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.459 1.687 19942 4644 1 9 . 1 1 85 85 ASN H H 85 8.752 8.752 8.547 0.205 19942 4645 1 9 . 1 1 86 86 THR N N 86 114.501 114.501 119.040 -4.539 19942 4646 1 9 . 1 1 86 86 THR HA H 86 4.677 4.677 4.674 0.003 19942 4647 1 9 . 1 1 86 86 THR C C 86 170.890 170.890 172.841 -1.951 19942 4648 1 9 . 1 1 86 86 THR CA C 86 61.715 61.715 61.463 0.252 19942 4649 1 9 . 1 1 86 86 THR CB C 86 70.636 70.636 71.838 -1.202 19942 4650 1 9 . 1 1 86 86 THR H H 86 8.922 8.922 8.677 0.245 19942 4651 1 9 . 1 1 87 87 ILE N N 87 125.857 125.857 124.693 1.164 19942 4652 1 9 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.311 0.231 19942 4653 1 9 . 1 1 87 87 ILE C C 87 175.495 175.495 175.251 0.244 19942 4654 1 9 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.624 0.619 19942 4655 1 9 . 1 1 87 87 ILE CB C 87 39.423 39.423 39.215 0.208 19942 4656 1 9 . 1 1 87 87 ILE H H 87 8.020 8.020 8.383 -0.363 19942 4657 1 9 . 1 1 88 88 LEU N N 88 129.304 129.304 128.983 0.321 19942 4658 1 9 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.760 -0.077 19942 4659 1 9 . 1 1 88 88 LEU C C 88 174.979 174.979 175.833 -0.854 19942 4660 1 9 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.484 0.254 19942 4661 1 9 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.314 1.322 19942 4662 1 9 . 1 1 88 88 LEU H H 88 8.797 8.797 9.024 -0.227 19942 4663 1 9 . 1 1 89 89 THR N N 89 117.751 117.751 117.092 0.659 19942 4664 1 9 . 1 1 89 89 THR HA H 89 4.749 4.749 4.559 0.190 19942 4665 1 9 . 1 1 89 89 THR C C 89 173.269 173.269 173.663 -0.394 19942 4666 1 9 . 1 1 89 89 THR CA C 89 62.794 62.794 61.551 1.243 19942 4667 1 9 . 1 1 89 89 THR CB C 89 70.202 70.202 70.484 -0.282 19942 4668 1 9 . 1 1 89 89 THR H H 89 7.882 7.882 8.327 -0.445 19942 4669 1 9 . 1 1 90 90 VAL N N 90 127.485 127.485 126.183 1.302 19942 4670 1 9 . 1 1 90 90 VAL HA H 90 4.837 4.837 3.971 0.866 19942 4671 1 9 . 1 1 90 90 VAL C C 90 176.460 176.460 174.687 1.773 19942 4672 1 9 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.818 -2.407 19942 4673 1 9 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.655 0.004 19942 4674 1 9 . 1 1 90 90 VAL H H 90 9.139 9.139 8.455 0.684 19942 4675 1 9 . 1 1 91 91 ASN N N 91 126.674 126.674 126.943 -0.269 19942 4676 1 9 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.966 -0.127 19942 4677 1 9 . 1 1 91 91 ASN C C 91 174.311 174.311 173.792 0.519 19942 4678 1 9 . 1 1 91 91 ASN CA C 91 52.779 52.779 52.097 0.682 19942 4679 1 9 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.870 -1.093 19942 4680 1 9 . 1 1 91 91 ASN H H 91 8.992 8.992 8.168 0.824 19942 4681 1 9 . 1 1 92 92 LYS N N 92 122.622 122.622 122.319 0.303 19942 4682 1 9 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.599 -0.181 19942 4683 1 9 . 1 1 92 92 LYS C C 92 176.757 176.757 177.703 -0.946 19942 4684 1 9 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.750 0.720 19942 4685 1 9 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.639 -0.337 19942 4686 1 9 . 1 1 92 92 LYS H H 92 8.556 8.556 8.516 0.040 19942 4687 1 9 . 1 1 93 93 THR N N 93 119.358 119.358 113.454 5.904 19942 4688 1 9 . 1 1 93 93 THR HA H 93 4.315 4.315 4.342 -0.027 19942 4689 1 9 . 1 1 93 93 THR C C 93 174.018 174.018 174.099 -0.081 19942 4690 1 9 . 1 1 93 93 THR CA C 93 62.060 62.060 60.924 1.136 19942 4691 1 9 . 1 1 93 93 THR CB C 93 69.715 69.715 68.567 1.149 19942 4692 1 9 . 1 1 93 93 THR H H 93 8.439 8.439 8.494 -0.055 19942 4693 1 9 . 1 1 94 94 ASP N N 94 124.142 124.142 125.109 -0.967 19942 4694 1 9 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.649 0.016 19942 4695 1 9 . 1 1 94 94 ASP C C 94 175.464 175.464 175.780 -0.316 19942 4696 1 9 . 1 1 94 94 ASP CA C 94 54.515 54.515 54.690 -0.175 19942 4697 1 9 . 1 1 94 94 ASP CB C 94 41.117 41.117 41.499 -0.382 19942 4698 1 9 . 1 1 94 94 ASP H H 94 8.583 8.583 7.542 1.041 19942 4699 1 10 . 1 1 3 3 ALA N N 3 123.810 123.810 122.832 0.978 19942 4700 1 10 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.120 0.089 19942 4701 1 10 . 1 1 3 3 ALA C C 3 177.476 177.476 176.769 0.707 19942 4702 1 10 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.649 -0.199 19942 4703 1 10 . 1 1 3 3 ALA CB C 3 19.517 19.517 18.541 0.976 19942 4704 1 10 . 1 1 3 3 ALA H H 3 8.387 8.387 8.279 0.108 19942 4705 1 10 . 1 1 4 4 THR N N 4 113.060 113.060 111.193 1.867 19942 4706 1 10 . 1 1 4 4 THR HA H 4 4.621 4.621 4.642 -0.021 19942 4707 1 10 . 1 1 4 4 THR C C 4 174.426 174.426 173.369 1.057 19942 4708 1 10 . 1 1 4 4 THR CA C 4 60.020 60.020 60.534 -0.514 19942 4709 1 10 . 1 1 4 4 THR CB C 4 71.041 71.041 71.120 -0.079 19942 4710 1 10 . 1 1 4 4 THR H H 4 8.593 8.593 8.541 0.052 19942 4711 1 10 . 1 1 5 5 LEU N N 5 125.889 125.889 123.063 2.826 19942 4712 1 10 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.152 -0.716 19942 4713 1 10 . 1 1 5 5 LEU C C 5 175.432 175.432 176.409 -0.977 19942 4714 1 10 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.707 1.484 19942 4715 1 10 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.854 -1.595 19942 4716 1 10 . 1 1 5 5 LEU H H 5 8.888 8.888 8.549 0.339 19942 4717 1 10 . 1 1 6 6 SER N N 6 123.564 123.564 123.411 0.153 19942 4718 1 10 . 1 1 6 6 SER HA H 6 4.574 4.574 4.415 0.159 19942 4719 1 10 . 1 1 6 6 SER C C 6 174.217 174.217 174.914 -0.697 19942 4720 1 10 . 1 1 6 6 SER CA C 6 59.688 59.688 60.156 -0.468 19942 4721 1 10 . 1 1 6 6 SER CB C 6 64.300 64.300 64.228 0.072 19942 4722 1 10 . 1 1 6 6 SER H H 6 9.155 9.155 8.604 0.551 19942 4723 1 10 . 1 1 7 7 SER N N 7 112.212 112.212 112.514 -0.302 19942 4724 1 10 . 1 1 7 7 SER HA H 7 4.499 4.499 4.773 -0.274 19942 4725 1 10 . 1 1 7 7 SER C C 7 171.592 171.592 171.993 -0.401 19942 4726 1 10 . 1 1 7 7 SER CA C 7 57.676 57.676 57.444 0.232 19942 4727 1 10 . 1 1 7 7 SER CB C 7 64.795 64.795 64.600 0.195 19942 4728 1 10 . 1 1 7 7 SER H H 7 7.913 7.913 7.594 0.319 19942 4729 1 10 . 1 1 8 8 ILE N N 8 120.132 120.132 116.464 3.668 19942 4730 1 10 . 1 1 8 8 ILE HA H 8 4.661 4.661 5.011 -0.350 19942 4731 1 10 . 1 1 8 8 ILE C C 8 174.094 174.094 174.562 -0.468 19942 4732 1 10 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.620 0.697 19942 4733 1 10 . 1 1 8 8 ILE CB C 8 42.926 42.926 41.247 1.679 19942 4734 1 10 . 1 1 8 8 ILE H H 8 8.628 8.628 8.152 0.476 19942 4735 1 10 . 1 1 9 9 SER N N 9 120.939 120.939 118.961 1.978 19942 4736 1 10 . 1 1 9 9 SER HA H 9 4.907 4.907 4.860 0.047 19942 4737 1 10 . 1 1 9 9 SER C C 9 173.176 173.176 173.147 0.029 19942 4738 1 10 . 1 1 9 9 SER CA C 9 56.291 56.291 56.521 -0.230 19942 4739 1 10 . 1 1 9 9 SER CB C 9 65.325 65.325 65.804 -0.479 19942 4740 1 10 . 1 1 9 9 SER H H 9 8.761 8.761 9.005 -0.244 19942 4741 1 10 . 1 1 10 10 ILE N N 10 126.047 126.047 123.638 2.409 19942 4742 1 10 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.639 0.838 19942 4743 1 10 . 1 1 10 10 ILE C C 10 175.259 175.259 176.254 -0.995 19942 4744 1 10 . 1 1 10 10 ILE CA C 10 59.092 59.092 59.054 0.038 19942 4745 1 10 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.281 1.561 19942 4746 1 10 . 1 1 10 10 ILE H H 10 8.852 8.852 8.507 0.345 19942 4747 1 10 . 1 1 11 11 SER N N 11 122.938 122.938 123.731 -0.793 19942 4748 1 10 . 1 1 11 11 SER HA H 11 4.704 4.704 4.905 -0.201 19942 4749 1 10 . 1 1 11 11 SER C C 11 170.288 170.288 173.390 -3.102 19942 4750 1 10 . 1 1 11 11 SER CA C 11 55.401 55.401 56.374 -0.973 19942 4751 1 10 . 1 1 11 11 SER CB C 11 65.248 65.248 64.243 1.004 19942 4752 1 10 . 1 1 11 11 SER H H 11 9.108 9.108 8.938 0.170 19942 4753 1 10 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.360 0.337 19942 4754 1 10 . 1 1 12 12 PRO C C 12 175.467 175.467 175.805 -0.338 19942 4755 1 10 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.991 -2.535 19942 4756 1 10 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.156 2.750 19942 4757 1 10 . 1 1 13 13 ILE N N 13 118.003 118.003 119.185 -1.182 19942 4758 1 10 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.214 0.137 19942 4759 1 10 . 1 1 13 13 ILE C C 13 176.535 176.535 176.247 0.288 19942 4760 1 10 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.569 0.523 19942 4761 1 10 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.165 0.068 19942 4762 1 10 . 1 1 13 13 ILE H H 13 8.233 8.233 8.316 -0.083 19942 4763 1 10 . 1 1 14 14 ASN N N 14 122.727 122.727 124.012 -1.285 19942 4764 1 10 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.426 0.350 19942 4765 1 10 . 1 1 14 14 ASN C C 14 175.286 175.286 174.507 0.779 19942 4766 1 10 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.202 -1.616 19942 4767 1 10 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.623 -1.127 19942 4768 1 10 . 1 1 14 14 ASN H H 14 8.501 8.501 8.560 -0.059 19942 4769 1 10 . 1 1 15 15 THR N N 15 114.899 114.899 116.159 -1.260 19942 4770 1 10 . 1 1 15 15 THR HA H 15 4.587 4.587 4.456 0.131 19942 4771 1 10 . 1 1 15 15 THR C C 15 173.339 173.339 172.647 0.692 19942 4772 1 10 . 1 1 15 15 THR CA C 15 61.059 61.059 61.831 -0.772 19942 4773 1 10 . 1 1 15 15 THR CB C 15 69.683 69.683 69.890 -0.207 19942 4774 1 10 . 1 1 15 15 THR H H 15 8.878 8.878 8.370 0.508 19942 4775 1 10 . 1 1 16 16 ASN N N 16 119.994 119.994 126.102 -6.108 19942 4776 1 10 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.454 0.360 19942 4777 1 10 . 1 1 16 16 ASN C C 16 173.995 173.995 172.936 1.059 19942 4778 1 10 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.636 -0.250 19942 4779 1 10 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.444 -1.065 19942 4780 1 10 . 1 1 16 16 ASN H H 16 8.293 8.293 8.414 -0.121 19942 4781 1 10 . 1 1 17 17 ILE N N 17 118.356 118.356 120.644 -2.288 19942 4782 1 10 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.363 0.360 19942 4783 1 10 . 1 1 17 17 ILE C C 17 173.556 173.556 172.893 0.663 19942 4784 1 10 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.438 -0.947 19942 4785 1 10 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.536 0.901 19942 4786 1 10 . 1 1 17 17 ILE H H 17 8.962 8.962 8.034 0.928 19942 4787 1 10 . 1 1 18 18 ASN N N 18 122.798 122.798 123.278 -0.480 19942 4788 1 10 . 1 1 18 18 ASN HA H 18 5.539 5.539 5.024 0.515 19942 4789 1 10 . 1 1 18 18 ASN C C 18 176.607 176.607 174.603 2.004 19942 4790 1 10 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.418 -0.126 19942 4791 1 10 . 1 1 18 18 ASN CB C 18 39.343 39.343 41.004 -1.661 19942 4792 1 10 . 1 1 18 18 ASN H H 18 8.404 8.404 8.472 -0.068 19942 4793 1 10 . 1 1 19 19 THR C C 19 175.737 175.737 174.977 0.760 19942 4794 1 10 . 1 1 19 19 THR CA C 19 62.695 62.695 63.625 -0.930 19942 4795 1 10 . 1 1 19 19 THR CB C 19 68.758 68.758 69.353 -0.595 19942 4796 1 10 . 1 1 20 20 THR N N 20 113.750 113.750 112.015 1.735 19942 4797 1 10 . 1 1 20 20 THR HA H 20 4.281 4.281 3.861 0.420 19942 4798 1 10 . 1 1 20 20 THR C C 20 173.630 173.630 173.277 0.353 19942 4799 1 10 . 1 1 20 20 THR CA C 20 64.559 64.559 64.741 -0.182 19942 4800 1 10 . 1 1 20 20 THR CB C 20 69.925 69.925 67.856 2.069 19942 4801 1 10 . 1 1 20 20 THR H H 20 8.400 8.400 8.585 -0.185 19942 4802 1 10 . 1 1 21 21 VAL N N 21 124.237 124.237 122.101 2.136 19942 4803 1 10 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.208 0.040 19942 4804 1 10 . 1 1 21 21 VAL C C 21 175.464 175.464 174.890 0.574 19942 4805 1 10 . 1 1 21 21 VAL CA C 21 62.273 62.273 61.251 1.022 19942 4806 1 10 . 1 1 21 21 VAL H H 21 7.953 7.953 7.424 0.529 19942 4807 1 10 . 1 1 22 22 SER HA H 22 5.542 5.542 5.100 0.442 19942 4808 1 10 . 1 1 22 22 SER C C 22 173.145 173.145 173.377 -0.232 19942 4809 1 10 . 1 1 22 22 SER CA C 22 58.153 58.153 57.617 0.536 19942 4810 1 10 . 1 1 22 22 SER CB C 22 64.768 64.768 65.124 -0.356 19942 4811 1 10 . 1 1 23 23 LYS N N 23 124.177 124.177 124.035 0.142 19942 4812 1 10 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.455 0.055 19942 4813 1 10 . 1 1 23 23 LYS C C 23 173.847 173.847 174.011 -0.164 19942 4814 1 10 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.910 0.041 19942 4815 1 10 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.405 1.511 19942 4816 1 10 . 1 1 23 23 LYS H H 23 9.372 9.372 7.976 1.396 19942 4817 1 10 . 1 1 24 24 GLN N N 24 128.777 128.777 125.190 3.587 19942 4818 1 10 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.459 -0.775 19942 4819 1 10 . 1 1 24 24 GLN C C 24 173.229 173.229 174.163 -0.934 19942 4820 1 10 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.027 2.101 19942 4821 1 10 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.159 -1.641 19942 4822 1 10 . 1 1 24 24 GLN H H 24 8.742 8.742 8.272 0.470 19942 4823 1 10 . 1 1 25 25 PHE N N 25 128.481 128.481 119.110 9.371 19942 4824 1 10 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.527 0.478 19942 4825 1 10 . 1 1 25 25 PHE C C 25 174.268 174.268 173.417 0.851 19942 4826 1 10 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.616 1.742 19942 4827 1 10 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.273 0.560 19942 4828 1 10 . 1 1 25 25 PHE H H 25 7.728 7.728 6.397 1.331 19942 4829 1 10 . 1 1 26 26 PHE N N 26 114.641 114.641 118.526 -3.885 19942 4830 1 10 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.167 0.360 19942 4831 1 10 . 1 1 26 26 PHE C C 26 175.679 175.679 175.207 0.472 19942 4832 1 10 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.707 0.444 19942 4833 1 10 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.356 0.381 19942 4834 1 10 . 1 1 26 26 PHE H H 26 9.354 9.354 7.995 1.359 19942 4835 1 10 . 1 1 27 27 ALA N N 27 123.352 123.352 123.882 -0.530 19942 4836 1 10 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.066 0.139 19942 4837 1 10 . 1 1 27 27 ALA C C 27 174.966 174.966 175.557 -0.591 19942 4838 1 10 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.716 -0.770 19942 4839 1 10 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.517 0.373 19942 4840 1 10 . 1 1 27 27 ALA H H 27 8.935 8.935 9.624 -0.689 19942 4841 1 10 . 1 1 28 28 VAL N N 28 122.875 122.875 124.437 -1.562 19942 4842 1 10 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.577 0.089 19942 4843 1 10 . 1 1 28 28 VAL C C 28 177.371 177.371 175.276 2.095 19942 4844 1 10 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.592 0.622 19942 4845 1 10 . 1 1 28 28 VAL CB C 28 34.295 34.295 33.931 0.364 19942 4846 1 10 . 1 1 28 28 VAL H H 28 8.933 8.933 8.879 0.054 19942 4847 1 10 . 1 1 29 29 GLY N N 29 118.628 118.628 114.577 4.051 19942 4848 1 10 . 1 1 29 29 GLY C C 29 171.637 171.637 172.287 -0.650 19942 4849 1 10 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.495 1.561 19942 4850 1 10 . 1 1 29 29 GLY H H 29 9.852 9.852 8.357 1.495 19942 4851 1 10 . 1 1 30 30 THR N N 30 119.749 119.749 119.960 -0.211 19942 4852 1 10 . 1 1 30 30 THR HA H 30 5.033 5.033 5.278 -0.245 19942 4853 1 10 . 1 1 30 30 THR C C 30 173.854 173.854 173.624 0.230 19942 4854 1 10 . 1 1 30 30 THR CA C 30 62.384 62.384 61.501 0.883 19942 4855 1 10 . 1 1 30 30 THR CB C 30 69.631 69.631 71.411 -1.780 19942 4856 1 10 . 1 1 30 30 THR H H 30 8.632 8.632 8.211 0.421 19942 4857 1 10 . 1 1 31 31 TYR N N 31 126.778 126.778 125.574 1.204 19942 4858 1 10 . 1 1 31 31 TYR HA H 31 5.019 5.019 5.064 -0.045 19942 4859 1 10 . 1 1 31 31 TYR C C 31 179.438 179.438 177.954 1.484 19942 4860 1 10 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.348 0.664 19942 4861 1 10 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.774 1.096 19942 4862 1 10 . 1 1 31 31 TYR H H 31 9.411 9.411 9.413 -0.002 19942 4863 1 10 . 1 1 32 32 SER N N 32 118.249 118.249 117.967 0.282 19942 4864 1 10 . 1 1 32 32 SER HA H 32 4.112 4.112 4.246 -0.134 19942 4865 1 10 . 1 1 32 32 SER C C 32 174.175 174.175 175.221 -1.046 19942 4866 1 10 . 1 1 32 32 SER CA C 32 61.407 61.407 60.649 0.758 19942 4867 1 10 . 1 1 32 32 SER CB C 32 62.779 62.779 63.274 -0.495 19942 4868 1 10 . 1 1 32 32 SER H H 32 9.767 9.767 8.707 1.060 19942 4869 1 10 . 1 1 33 33 ASP N N 33 119.614 119.614 119.843 -0.229 19942 4870 1 10 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.731 0.003 19942 4871 1 10 . 1 1 33 33 ASP C C 33 177.097 177.097 176.950 0.147 19942 4872 1 10 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.053 -1.377 19942 4873 1 10 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.304 0.217 19942 4874 1 10 . 1 1 33 33 ASP H H 33 7.702 7.702 8.055 -0.353 19942 4875 1 10 . 1 1 34 34 GLY N N 34 108.749 108.749 108.532 0.217 19942 4876 1 10 . 1 1 34 34 GLY C C 34 174.828 174.828 174.346 0.482 19942 4877 1 10 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.741 -0.448 19942 4878 1 10 . 1 1 34 34 GLY H H 34 8.420 8.420 8.439 -0.019 19942 4879 1 10 . 1 1 35 35 THR N N 35 113.544 113.544 116.594 -3.050 19942 4880 1 10 . 1 1 35 35 THR HA H 35 4.297 4.297 4.370 -0.073 19942 4881 1 10 . 1 1 35 35 THR C C 35 173.074 173.074 173.480 -0.406 19942 4882 1 10 . 1 1 35 35 THR CA C 35 62.762 62.762 62.837 -0.075 19942 4883 1 10 . 1 1 35 35 THR CB C 35 71.079 71.079 69.896 1.183 19942 4884 1 10 . 1 1 35 35 THR H H 35 7.863 7.863 7.729 0.134 19942 4885 1 10 . 1 1 36 36 LYS N N 36 118.248 118.248 124.160 -5.912 19942 4886 1 10 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.438 0.489 19942 4887 1 10 . 1 1 36 36 LYS C C 36 176.847 176.847 175.479 1.368 19942 4888 1 10 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.185 -0.655 19942 4889 1 10 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.636 1.287 19942 4890 1 10 . 1 1 36 36 LYS H H 36 8.374 8.374 8.501 -0.127 19942 4891 1 10 . 1 1 37 37 ALA N N 37 121.621 121.621 125.775 -4.154 19942 4892 1 10 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.570 0.098 19942 4893 1 10 . 1 1 37 37 ALA C C 37 175.556 175.556 174.900 0.656 19942 4894 1 10 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.843 -0.466 19942 4895 1 10 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.766 1.771 19942 4896 1 10 . 1 1 37 37 ALA H H 37 8.892 8.892 8.523 0.369 19942 4897 1 10 . 1 1 38 38 ASP N N 38 121.602 121.602 121.603 -0.001 19942 4898 1 10 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.021 -0.161 19942 4899 1 10 . 1 1 38 38 ASP C C 38 176.487 176.487 176.787 -0.300 19942 4900 1 10 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.614 0.620 19942 4901 1 10 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.014 -0.239 19942 4902 1 10 . 1 1 38 38 ASP H H 38 8.983 8.983 8.529 0.454 19942 4903 1 10 . 1 1 39 39 LEU N N 39 128.342 128.342 124.802 3.540 19942 4904 1 10 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.638 0.223 19942 4905 1 10 . 1 1 39 39 LEU C C 39 177.565 177.565 177.701 -0.136 19942 4906 1 10 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.191 -0.601 19942 4907 1 10 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.761 2.172 19942 4908 1 10 . 1 1 39 39 LEU H H 39 9.218 9.218 8.427 0.791 19942 4909 1 10 . 1 1 40 40 THR N N 40 122.567 122.567 116.429 6.138 19942 4910 1 10 . 1 1 40 40 THR HA H 40 4.526 4.526 4.363 0.163 19942 4911 1 10 . 1 1 40 40 THR C C 40 174.562 174.562 176.261 -1.699 19942 4912 1 10 . 1 1 40 40 THR CA C 40 69.870 69.870 68.200 1.670 19942 4913 1 10 . 1 1 40 40 THR CB C 40 69.268 69.268 68.818 0.450 19942 4914 1 10 . 1 1 40 40 THR H H 40 8.983 8.983 8.462 0.521 19942 4915 1 10 . 1 1 41 41 SER N N 41 109.895 109.895 112.793 -2.898 19942 4916 1 10 . 1 1 41 41 SER HA H 41 4.465 4.465 4.572 -0.107 19942 4917 1 10 . 1 1 41 41 SER C C 41 174.686 174.686 175.172 -0.486 19942 4918 1 10 . 1 1 41 41 SER CA C 41 59.960 59.960 59.733 0.228 19942 4919 1 10 . 1 1 41 41 SER CB C 41 63.643 63.643 63.432 0.211 19942 4920 1 10 . 1 1 41 41 SER H H 41 8.749 8.749 8.670 0.079 19942 4921 1 10 . 1 1 42 42 SER N N 42 117.037 117.037 118.367 -1.330 19942 4922 1 10 . 1 1 42 42 SER HA H 42 4.706 4.706 4.719 -0.013 19942 4923 1 10 . 1 1 42 42 SER C C 42 175.240 175.240 175.032 0.208 19942 4924 1 10 . 1 1 42 42 SER CA C 42 59.742 59.742 59.463 0.279 19942 4925 1 10 . 1 1 42 42 SER CB C 42 64.724 64.724 64.476 0.248 19942 4926 1 10 . 1 1 42 42 SER H H 42 8.056 8.056 8.217 -0.161 19942 4927 1 10 . 1 1 43 43 VAL N N 43 113.914 113.914 118.048 -4.134 19942 4928 1 10 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.835 -0.523 19942 4929 1 10 . 1 1 43 43 VAL C C 43 174.501 174.501 175.116 -0.615 19942 4930 1 10 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.303 0.769 19942 4931 1 10 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.929 -0.532 19942 4932 1 10 . 1 1 43 43 VAL H H 43 7.498 7.498 8.268 -0.770 19942 4933 1 10 . 1 1 44 44 THR N N 44 116.194 116.194 120.816 -4.622 19942 4934 1 10 . 1 1 44 44 THR HA H 44 4.515 4.515 4.790 -0.275 19942 4935 1 10 . 1 1 44 44 THR C C 44 175.110 175.110 174.108 1.002 19942 4936 1 10 . 1 1 44 44 THR CA C 44 62.468 62.468 62.376 0.092 19942 4937 1 10 . 1 1 44 44 THR CB C 44 69.914 69.914 70.197 -0.283 19942 4938 1 10 . 1 1 44 44 THR H H 44 9.020 9.020 8.095 0.925 19942 4939 1 10 . 1 1 45 45 TRP N N 45 133.716 133.716 128.343 5.373 19942 4940 1 10 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.970 0.414 19942 4941 1 10 . 1 1 45 45 TRP C C 45 176.565 176.565 176.265 0.300 19942 4942 1 10 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.245 0.489 19942 4943 1 10 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.661 0.834 19942 4944 1 10 . 1 1 45 45 TRP H H 45 9.667 9.667 8.863 0.804 19942 4945 1 10 . 1 1 46 46 SER N N 46 117.142 117.142 118.245 -1.103 19942 4946 1 10 . 1 1 46 46 SER HA H 46 4.620 4.620 4.871 -0.251 19942 4947 1 10 . 1 1 46 46 SER C C 46 171.333 171.333 172.866 -1.533 19942 4948 1 10 . 1 1 46 46 SER CA C 46 58.013 58.013 57.421 0.592 19942 4949 1 10 . 1 1 46 46 SER CB C 46 65.605 65.605 65.560 0.045 19942 4950 1 10 . 1 1 46 46 SER H H 46 10.001 10.001 8.481 1.520 19942 4951 1 10 . 1 1 47 47 SER N N 47 112.791 112.791 120.715 -7.924 19942 4952 1 10 . 1 1 47 47 SER HA H 47 5.530 5.530 5.384 0.146 19942 4953 1 10 . 1 1 47 47 SER C C 47 176.141 176.141 175.830 0.311 19942 4954 1 10 . 1 1 47 47 SER CA C 47 53.591 53.591 56.497 -2.906 19942 4955 1 10 . 1 1 47 47 SER CB C 47 66.167 66.167 65.349 0.818 19942 4956 1 10 . 1 1 47 47 SER H H 47 8.594 8.594 8.588 0.006 19942 4957 1 10 . 1 1 48 48 SER N N 48 122.562 122.562 120.575 1.987 19942 4958 1 10 . 1 1 48 48 SER HA H 48 4.289 4.289 4.261 0.028 19942 4959 1 10 . 1 1 48 48 SER C C 48 174.767 174.767 175.727 -0.960 19942 4960 1 10 . 1 1 48 48 SER CA C 48 60.419 60.419 60.951 -0.532 19942 4961 1 10 . 1 1 48 48 SER CB C 48 62.630 62.630 63.180 -0.550 19942 4962 1 10 . 1 1 48 48 SER H H 48 9.685 9.685 8.363 1.322 19942 4963 1 10 . 1 1 49 49 ASN N N 49 118.253 118.253 121.798 -3.545 19942 4964 1 10 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.643 0.090 19942 4965 1 10 . 1 1 49 49 ASN C C 49 175.845 175.845 174.965 0.880 19942 4966 1 10 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.169 0.397 19942 4967 1 10 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.573 1.511 19942 4968 1 10 . 1 1 49 49 ASN H H 49 8.006 8.006 7.815 0.191 19942 4969 1 10 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.416 0.128 19942 4970 1 10 . 1 1 50 50 GLN C C 50 175.944 175.944 178.140 -2.196 19942 4971 1 10 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.291 -0.829 19942 4972 1 10 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.416 -0.503 19942 4973 1 10 . 1 1 51 51 SER N N 51 113.229 113.229 114.940 -1.711 19942 4974 1 10 . 1 1 51 51 SER HA H 51 4.302 4.302 4.320 -0.018 19942 4975 1 10 . 1 1 51 51 SER C C 51 173.524 173.524 175.652 -2.128 19942 4976 1 10 . 1 1 51 51 SER CA C 51 59.973 59.973 60.908 -0.936 19942 4977 1 10 . 1 1 51 51 SER CB C 51 62.832 62.832 63.383 -0.551 19942 4978 1 10 . 1 1 51 51 SER H H 51 8.205 8.205 8.522 -0.317 19942 4979 1 10 . 1 1 52 52 GLN N N 52 116.510 116.510 119.260 -2.750 19942 4980 1 10 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.572 -0.014 19942 4981 1 10 . 1 1 52 52 GLN C C 52 176.697 176.697 173.777 2.920 19942 4982 1 10 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.358 0.758 19942 4983 1 10 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.170 0.414 19942 4984 1 10 . 1 1 52 52 GLN H H 52 7.277 7.277 8.240 -0.963 19942 4985 1 10 . 1 1 53 53 ALA N N 53 119.325 119.325 119.679 -0.354 19942 4986 1 10 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.803 0.105 19942 4987 1 10 . 1 1 53 53 ALA C C 53 174.225 174.225 175.052 -0.827 19942 4988 1 10 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.900 0.478 19942 4989 1 10 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.198 -0.102 19942 4990 1 10 . 1 1 53 53 ALA H H 53 8.150 8.150 7.029 1.121 19942 4991 1 10 . 1 1 54 54 LYS N N 54 120.764 120.764 120.659 0.105 19942 4992 1 10 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.804 0.105 19942 4993 1 10 . 1 1 54 54 LYS C C 54 173.892 173.892 174.764 -0.872 19942 4994 1 10 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.196 -1.434 19942 4995 1 10 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.612 -0.504 19942 4996 1 10 . 1 1 54 54 LYS H H 54 8.397 8.397 7.967 0.430 19942 4997 1 10 . 1 1 55 55 VAL N N 55 118.409 118.409 122.553 -4.144 19942 4998 1 10 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.584 0.349 19942 4999 1 10 . 1 1 55 55 VAL C C 55 172.770 172.770 175.952 -3.182 19942 5000 1 10 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.705 -3.635 19942 5001 1 10 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.501 2.373 19942 5002 1 10 . 1 1 55 55 VAL H H 55 8.748 8.748 8.526 0.222 19942 5003 1 10 . 1 1 56 56 SER N N 56 119.976 119.976 125.477 -5.501 19942 5004 1 10 . 1 1 56 56 SER HA H 56 4.364 4.364 4.678 -0.314 19942 5005 1 10 . 1 1 56 56 SER C C 56 174.635 174.635 173.331 1.304 19942 5006 1 10 . 1 1 56 56 SER CA C 56 57.399 57.399 57.767 -0.368 19942 5007 1 10 . 1 1 56 56 SER CB C 56 63.633 63.633 63.840 -0.207 19942 5008 1 10 . 1 1 56 56 SER H H 56 7.851 7.851 8.613 -0.762 19942 5009 1 10 . 1 1 57 57 ASN N N 57 124.627 124.627 122.471 2.156 19942 5010 1 10 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.918 0.339 19942 5011 1 10 . 1 1 57 57 ASN C C 57 174.450 174.450 174.275 0.175 19942 5012 1 10 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.631 0.757 19942 5013 1 10 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.482 1.048 19942 5014 1 10 . 1 1 57 57 ASN H H 57 9.190 9.190 8.369 0.821 19942 5015 1 10 . 1 1 58 58 ALA N N 58 127.007 127.007 124.729 2.278 19942 5016 1 10 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.501 -0.163 19942 5017 1 10 . 1 1 58 58 ALA C C 58 178.628 178.628 178.091 0.537 19942 5018 1 10 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.466 0.762 19942 5019 1 10 . 1 1 58 58 ALA CB C 58 18.910 18.910 19.924 -1.014 19942 5020 1 10 . 1 1 58 58 ALA H H 58 8.121 8.121 8.529 -0.408 19942 5021 1 10 . 1 1 59 59 SER N N 59 116.407 116.407 114.293 2.114 19942 5022 1 10 . 1 1 59 59 SER HA H 59 4.888 4.888 4.219 0.669 19942 5023 1 10 . 1 1 59 59 SER C C 59 176.729 176.729 176.820 -0.091 19942 5024 1 10 . 1 1 59 59 SER CA C 59 62.500 62.500 61.583 0.917 19942 5025 1 10 . 1 1 59 59 SER CB C 59 63.113 63.113 62.930 0.183 19942 5026 1 10 . 1 1 59 59 SER H H 59 8.767 8.767 8.603 0.164 19942 5027 1 10 . 1 1 60 60 GLU N N 60 117.093 117.093 118.545 -1.452 19942 5028 1 10 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.248 -0.016 19942 5029 1 10 . 1 1 60 60 GLU C C 60 177.467 177.467 177.317 0.150 19942 5030 1 10 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.093 0.623 19942 5031 1 10 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.481 0.130 19942 5032 1 10 . 1 1 60 60 GLU H H 60 9.190 9.190 8.589 0.601 19942 5033 1 10 . 1 1 61 61 THR N N 61 107.270 107.270 108.081 -0.811 19942 5034 1 10 . 1 1 61 61 THR HA H 61 4.820 4.820 4.302 0.518 19942 5035 1 10 . 1 1 61 61 THR C C 61 173.068 173.068 174.705 -1.637 19942 5036 1 10 . 1 1 61 61 THR CA C 61 59.191 59.191 61.425 -2.234 19942 5037 1 10 . 1 1 61 61 THR CB C 61 69.219 69.219 68.984 0.235 19942 5038 1 10 . 1 1 61 61 THR H H 61 7.369 7.369 7.622 -0.253 19942 5039 1 10 . 1 1 62 62 LYS N N 62 122.917 122.917 123.013 -0.096 19942 5040 1 10 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.110 -0.424 19942 5041 1 10 . 1 1 62 62 LYS C C 62 178.225 178.225 176.586 1.639 19942 5042 1 10 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.995 0.126 19942 5043 1 10 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.712 0.577 19942 5044 1 10 . 1 1 62 62 LYS H H 62 6.924 6.924 7.679 -0.755 19942 5045 1 10 . 1 1 63 63 GLY N N 63 111.784 111.784 109.840 1.944 19942 5046 1 10 . 1 1 63 63 GLY C C 63 171.831 171.831 172.114 -0.283 19942 5047 1 10 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.202 0.153 19942 5048 1 10 . 1 1 63 63 GLY H H 63 7.966 7.966 8.558 -0.592 19942 5049 1 10 . 1 1 64 64 LEU N N 64 120.854 120.854 121.079 -0.225 19942 5050 1 10 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.359 -0.299 19942 5051 1 10 . 1 1 64 64 LEU C C 64 176.666 176.666 174.540 2.126 19942 5052 1 10 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.585 1.978 19942 5053 1 10 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.609 -1.536 19942 5054 1 10 . 1 1 64 64 LEU H H 64 7.785 7.785 7.646 0.139 19942 5055 1 10 . 1 1 65 65 VAL N N 65 135.184 135.184 125.761 9.423 19942 5056 1 10 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.408 0.228 19942 5057 1 10 . 1 1 65 65 VAL C C 65 174.956 174.956 174.610 0.346 19942 5058 1 10 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.004 0.319 19942 5059 1 10 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.393 -2.397 19942 5060 1 10 . 1 1 65 65 VAL H H 65 8.973 8.973 7.842 1.131 19942 5061 1 10 . 1 1 66 66 THR N N 66 121.955 121.955 123.050 -1.095 19942 5062 1 10 . 1 1 66 66 THR HA H 66 4.774 4.774 4.564 0.210 19942 5063 1 10 . 1 1 66 66 THR C C 66 174.266 174.266 173.280 0.986 19942 5064 1 10 . 1 1 66 66 THR CA C 66 61.225 61.225 61.823 -0.598 19942 5065 1 10 . 1 1 66 66 THR CB C 66 71.190 71.190 70.239 0.951 19942 5066 1 10 . 1 1 66 66 THR H H 66 8.947 8.947 8.234 0.713 19942 5067 1 10 . 1 1 67 67 GLY N N 67 114.304 114.304 114.437 -0.133 19942 5068 1 10 . 1 1 67 67 GLY C C 67 172.326 172.326 174.267 -1.941 19942 5069 1 10 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.857 2.375 19942 5070 1 10 . 1 1 67 67 GLY H H 67 9.201 9.201 8.292 0.909 19942 5071 1 10 . 1 1 68 68 ILE N N 68 126.492 126.492 126.118 0.374 19942 5072 1 10 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.857 0.266 19942 5073 1 10 . 1 1 68 68 ILE C C 68 175.021 175.021 176.166 -1.145 19942 5074 1 10 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.971 -2.363 19942 5075 1 10 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.586 0.568 19942 5076 1 10 . 1 1 68 68 ILE H H 68 8.927 8.927 8.020 0.907 19942 5077 1 10 . 1 1 69 69 ALA N N 69 122.378 122.378 120.410 1.968 19942 5078 1 10 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.477 -0.082 19942 5079 1 10 . 1 1 69 69 ALA C C 69 174.111 174.111 175.518 -1.407 19942 5080 1 10 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.512 -0.653 19942 5081 1 10 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.113 1.944 19942 5082 1 10 . 1 1 69 69 ALA H H 69 8.413 8.413 7.619 0.794 19942 5083 1 10 . 1 1 70 70 SER N N 70 110.668 110.668 118.875 -8.207 19942 5084 1 10 . 1 1 70 70 SER HA H 70 4.013 4.013 4.655 -0.642 19942 5085 1 10 . 1 1 70 70 SER C C 70 174.180 174.180 173.863 0.317 19942 5086 1 10 . 1 1 70 70 SER CA C 70 58.620 58.620 57.227 1.393 19942 5087 1 10 . 1 1 70 70 SER CB C 70 64.114 64.114 65.618 -1.504 19942 5088 1 10 . 1 1 70 70 SER H H 70 8.109 8.109 8.067 0.042 19942 5089 1 10 . 1 1 71 71 GLY N N 71 108.506 108.506 107.377 1.129 19942 5090 1 10 . 1 1 71 71 GLY C C 71 170.868 170.868 173.501 -2.633 19942 5091 1 10 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.193 -0.850 19942 5092 1 10 . 1 1 71 71 GLY H H 71 8.055 8.055 8.455 -0.400 19942 5093 1 10 . 1 1 72 72 ASN N N 72 116.234 116.234 119.154 -2.920 19942 5094 1 10 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.383 -0.491 19942 5095 1 10 . 1 1 72 72 ASN C C 72 171.109 171.109 172.807 -1.698 19942 5096 1 10 . 1 1 72 72 ASN CA C 72 51.409 51.409 50.895 0.514 19942 5097 1 10 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.624 -0.652 19942 5098 1 10 . 1 1 72 72 ASN H H 72 8.238 8.238 8.247 -0.009 19942 5099 1 10 . 1 1 73 73 PRO C C 73 173.522 173.522 175.819 -2.297 19942 5100 1 10 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.683 0.639 19942 5101 1 10 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.639 -0.586 19942 5102 1 10 . 1 1 74 74 THR N N 74 115.192 115.192 118.347 -3.155 19942 5103 1 10 . 1 1 74 74 THR HA H 74 4.399 4.399 4.680 -0.281 19942 5104 1 10 . 1 1 74 74 THR C C 74 173.467 173.467 173.207 0.260 19942 5105 1 10 . 1 1 74 74 THR CA C 74 61.852 61.852 62.255 -0.403 19942 5106 1 10 . 1 1 74 74 THR CB C 74 70.609 70.609 70.964 -0.355 19942 5107 1 10 . 1 1 74 74 THR H H 74 8.775 8.775 7.976 0.799 19942 5108 1 10 . 1 1 75 75 ILE HA H 75 4.883 4.883 5.006 -0.123 19942 5109 1 10 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.712 3.075 19942 5110 1 10 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.236 -1.369 19942 5111 1 10 . 1 1 76 76 ILE N N 76 126.694 126.694 127.411 -0.717 19942 5112 1 10 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.495 0.180 19942 5113 1 10 . 1 1 76 76 ILE C C 76 173.870 173.870 174.492 -0.622 19942 5114 1 10 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.985 0.558 19942 5115 1 10 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.101 0.819 19942 5116 1 10 . 1 1 76 76 ILE H H 76 8.982 8.982 8.516 0.466 19942 5117 1 10 . 1 1 77 77 ALA N N 77 126.455 126.455 130.906 -4.451 19942 5118 1 10 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.887 -0.388 19942 5119 1 10 . 1 1 77 77 ALA C C 77 175.857 175.857 176.180 -0.323 19942 5120 1 10 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.768 0.025 19942 5121 1 10 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.005 0.667 19942 5122 1 10 . 1 1 77 77 ALA H H 77 8.431 8.431 8.734 -0.303 19942 5123 1 10 . 1 1 78 78 THR N N 78 116.767 116.767 120.338 -3.571 19942 5124 1 10 . 1 1 78 78 THR HA H 78 4.849 4.849 4.612 0.237 19942 5125 1 10 . 1 1 78 78 THR C C 78 173.211 173.211 172.627 0.584 19942 5126 1 10 . 1 1 78 78 THR CA C 78 61.343 61.343 61.370 -0.028 19942 5127 1 10 . 1 1 78 78 THR CB C 78 71.627 71.627 70.675 0.952 19942 5128 1 10 . 1 1 78 78 THR H H 78 8.135 8.135 8.135 -0.000 19942 5129 1 10 . 1 1 79 79 TYR N N 79 127.950 127.950 128.636 -0.686 19942 5130 1 10 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.725 -0.096 19942 5131 1 10 . 1 1 79 79 TYR C C 79 174.921 174.921 174.961 -0.040 19942 5132 1 10 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.955 0.551 19942 5133 1 10 . 1 1 79 79 TYR CB C 79 40.572 40.572 41.120 -0.548 19942 5134 1 10 . 1 1 79 79 TYR H H 79 9.136 9.136 8.776 0.360 19942 5135 1 10 . 1 1 80 80 GLY N N 80 118.393 118.393 115.814 2.579 19942 5136 1 10 . 1 1 80 80 GLY C C 80 174.902 174.902 174.270 0.632 19942 5137 1 10 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.254 0.615 19942 5138 1 10 . 1 1 80 80 GLY H H 80 8.786 8.786 8.071 0.715 19942 5139 1 10 . 1 1 81 81 SER N N 81 113.872 113.872 118.548 -4.676 19942 5140 1 10 . 1 1 81 81 SER HA H 81 4.348 4.348 4.616 -0.268 19942 5141 1 10 . 1 1 81 81 SER C C 81 173.279 173.279 173.667 -0.388 19942 5142 1 10 . 1 1 81 81 SER CA C 81 58.658 58.658 58.779 -0.121 19942 5143 1 10 . 1 1 81 81 SER CB C 81 63.490 63.490 64.113 -0.623 19942 5144 1 10 . 1 1 81 81 SER H H 81 7.878 7.878 8.225 -0.347 19942 5145 1 10 . 1 1 82 82 VAL N N 82 124.320 124.320 123.725 0.595 19942 5146 1 10 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.323 -0.074 19942 5147 1 10 . 1 1 82 82 VAL C C 82 173.455 173.455 173.897 -0.442 19942 5148 1 10 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.792 -0.140 19942 5149 1 10 . 1 1 82 82 VAL CB C 82 33.466 33.466 35.108 -1.642 19942 5150 1 10 . 1 1 82 82 VAL H H 82 7.845 7.845 7.981 -0.136 19942 5151 1 10 . 1 1 83 83 SER N N 83 119.056 119.056 120.447 -1.391 19942 5152 1 10 . 1 1 83 83 SER HA H 83 5.507 5.507 5.015 0.492 19942 5153 1 10 . 1 1 83 83 SER C C 83 173.841 173.841 173.473 0.368 19942 5154 1 10 . 1 1 83 83 SER CA C 83 56.624 56.624 56.713 -0.089 19942 5155 1 10 . 1 1 83 83 SER CB C 83 66.733 66.733 66.678 0.055 19942 5156 1 10 . 1 1 83 83 SER H H 83 8.549 8.549 8.369 0.180 19942 5157 1 10 . 1 1 84 84 GLY N N 84 111.431 111.431 109.421 2.010 19942 5158 1 10 . 1 1 84 84 GLY C C 84 171.253 171.253 172.443 -1.190 19942 5159 1 10 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.306 -0.023 19942 5160 1 10 . 1 1 84 84 GLY H H 84 8.957 8.957 8.567 0.390 19942 5161 1 10 . 1 1 85 85 ASN N N 85 114.909 114.909 120.166 -5.257 19942 5162 1 10 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.211 0.688 19942 5163 1 10 . 1 1 85 85 ASN C C 85 174.553 174.553 174.591 -0.038 19942 5164 1 10 . 1 1 85 85 ASN CA C 85 52.794 52.794 51.813 0.981 19942 5165 1 10 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.433 1.713 19942 5166 1 10 . 1 1 85 85 ASN H H 85 8.752 8.752 8.432 0.320 19942 5167 1 10 . 1 1 86 86 THR N N 86 114.501 114.501 116.289 -1.788 19942 5168 1 10 . 1 1 86 86 THR HA H 86 4.677 4.677 4.615 0.062 19942 5169 1 10 . 1 1 86 86 THR C C 86 170.890 170.890 172.805 -1.915 19942 5170 1 10 . 1 1 86 86 THR CA C 86 61.715 61.715 60.916 0.799 19942 5171 1 10 . 1 1 86 86 THR CB C 86 70.636 70.636 69.968 0.668 19942 5172 1 10 . 1 1 86 86 THR H H 86 8.922 8.922 8.323 0.599 19942 5173 1 10 . 1 1 87 87 ILE N N 87 125.857 125.857 124.108 1.749 19942 5174 1 10 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.355 0.187 19942 5175 1 10 . 1 1 87 87 ILE C C 87 175.495 175.495 175.337 0.158 19942 5176 1 10 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.383 1.860 19942 5177 1 10 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.054 1.369 19942 5178 1 10 . 1 1 87 87 ILE H H 87 8.020 8.020 8.387 -0.367 19942 5179 1 10 . 1 1 88 88 LEU N N 88 129.304 129.304 128.407 0.897 19942 5180 1 10 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.704 -0.021 19942 5181 1 10 . 1 1 88 88 LEU C C 88 174.979 174.979 176.037 -1.058 19942 5182 1 10 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.599 0.139 19942 5183 1 10 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.765 0.871 19942 5184 1 10 . 1 1 88 88 LEU H H 88 8.797 8.797 8.275 0.522 19942 5185 1 10 . 1 1 89 89 THR N N 89 117.751 117.751 117.439 0.312 19942 5186 1 10 . 1 1 89 89 THR HA H 89 4.749 4.749 4.672 0.077 19942 5187 1 10 . 1 1 89 89 THR C C 89 173.269 173.269 173.502 -0.233 19942 5188 1 10 . 1 1 89 89 THR CA C 89 62.794 62.794 61.106 1.688 19942 5189 1 10 . 1 1 89 89 THR CB C 89 70.202 70.202 71.056 -0.854 19942 5190 1 10 . 1 1 89 89 THR H H 89 7.882 7.882 9.117 -1.236 19942 5191 1 10 . 1 1 90 90 VAL N N 90 127.485 127.485 126.044 1.441 19942 5192 1 10 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.343 0.494 19942 5193 1 10 . 1 1 90 90 VAL C C 90 176.460 176.460 175.131 1.329 19942 5194 1 10 . 1 1 90 90 VAL CA C 90 60.411 60.411 61.922 -1.510 19942 5195 1 10 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.959 0.700 19942 5196 1 10 . 1 1 90 90 VAL H H 90 9.139 9.139 8.539 0.600 19942 5197 1 10 . 1 1 91 91 ASN N N 91 126.674 126.674 125.663 1.011 19942 5198 1 10 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.894 -0.055 19942 5199 1 10 . 1 1 91 91 ASN C C 91 174.311 174.311 174.375 -0.064 19942 5200 1 10 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.500 1.279 19942 5201 1 10 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.479 -1.702 19942 5202 1 10 . 1 1 91 91 ASN H H 91 8.992 8.992 8.127 0.865 19942 5203 1 10 . 1 1 92 92 LYS N N 92 122.622 122.622 121.713 0.909 19942 5204 1 10 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.400 0.018 19942 5205 1 10 . 1 1 92 92 LYS C C 92 176.757 176.757 176.467 0.290 19942 5206 1 10 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.872 -0.402 19942 5207 1 10 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.952 0.350 19942 5208 1 10 . 1 1 92 92 LYS H H 92 8.556 8.556 8.478 0.078 19942 5209 1 10 . 1 1 93 93 THR N N 93 119.358 119.358 117.287 2.071 19942 5210 1 10 . 1 1 93 93 THR HA H 93 4.315 4.315 4.306 0.009 19942 5211 1 10 . 1 1 93 93 THR C C 93 174.018 174.018 174.366 -0.348 19942 5212 1 10 . 1 1 93 93 THR CA C 93 62.060 62.060 63.077 -1.017 19942 5213 1 10 . 1 1 93 93 THR CB C 93 69.715 69.715 69.266 0.448 19942 5214 1 10 . 1 1 93 93 THR H H 93 8.439 8.439 7.973 0.466 19942 5215 1 10 . 1 1 94 94 ASP N N 94 124.142 124.142 120.893 3.249 19942 5216 1 10 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.502 0.163 19942 5217 1 10 . 1 1 94 94 ASP C C 94 175.464 175.464 174.919 0.545 19942 5218 1 10 . 1 1 94 94 ASP CA C 94 54.515 54.515 55.688 -1.173 19942 5219 1 10 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.229 0.888 19942 5220 1 10 . 1 1 94 94 ASP H H 94 8.583 8.583 8.594 -0.011 19942 5221 1 11 . 1 1 3 3 ALA N N 3 123.810 123.810 125.575 -1.765 19942 5222 1 11 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.336 -0.127 19942 5223 1 11 . 1 1 3 3 ALA C C 3 177.476 177.476 177.620 -0.144 19942 5224 1 11 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.960 0.490 19942 5225 1 11 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.675 -0.158 19942 5226 1 11 . 1 1 3 3 ALA H H 3 8.387 8.387 8.079 0.308 19942 5227 1 11 . 1 1 4 4 THR N N 4 113.060 113.060 113.876 -0.816 19942 5228 1 11 . 1 1 4 4 THR HA H 4 4.621 4.621 4.527 0.094 19942 5229 1 11 . 1 1 4 4 THR C C 4 174.426 174.426 173.595 0.831 19942 5230 1 11 . 1 1 4 4 THR CA C 4 60.020 60.020 60.844 -0.824 19942 5231 1 11 . 1 1 4 4 THR CB C 4 71.041 71.041 70.450 0.591 19942 5232 1 11 . 1 1 4 4 THR H H 4 8.593 8.593 8.625 -0.032 19942 5233 1 11 . 1 1 5 5 LEU N N 5 125.889 125.889 122.869 3.020 19942 5234 1 11 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.295 -0.859 19942 5235 1 11 . 1 1 5 5 LEU C C 5 175.432 175.432 177.313 -1.881 19942 5236 1 11 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.977 1.214 19942 5237 1 11 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.678 -0.419 19942 5238 1 11 . 1 1 5 5 LEU H H 5 8.888 8.888 8.490 0.398 19942 5239 1 11 . 1 1 6 6 SER N N 6 123.564 123.564 121.419 2.145 19942 5240 1 11 . 1 1 6 6 SER HA H 6 4.574 4.574 4.403 0.171 19942 5241 1 11 . 1 1 6 6 SER C C 6 174.217 174.217 174.833 -0.616 19942 5242 1 11 . 1 1 6 6 SER CA C 6 59.688 59.688 60.211 -0.522 19942 5243 1 11 . 1 1 6 6 SER CB C 6 64.300 64.300 64.126 0.174 19942 5244 1 11 . 1 1 6 6 SER H H 6 9.155 9.155 8.973 0.182 19942 5245 1 11 . 1 1 7 7 SER N N 7 112.212 112.212 113.033 -0.821 19942 5246 1 11 . 1 1 7 7 SER HA H 7 4.499 4.499 4.654 -0.155 19942 5247 1 11 . 1 1 7 7 SER C C 7 171.592 171.592 172.148 -0.556 19942 5248 1 11 . 1 1 7 7 SER CA C 7 57.676 57.676 57.588 0.088 19942 5249 1 11 . 1 1 7 7 SER CB C 7 64.795 64.795 64.704 0.091 19942 5250 1 11 . 1 1 7 7 SER H H 7 7.913 7.913 7.659 0.254 19942 5251 1 11 . 1 1 8 8 ILE N N 8 120.132 120.132 120.911 -0.779 19942 5252 1 11 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.330 0.331 19942 5253 1 11 . 1 1 8 8 ILE C C 8 174.094 174.094 174.827 -0.733 19942 5254 1 11 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.216 0.101 19942 5255 1 11 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.062 2.864 19942 5256 1 11 . 1 1 8 8 ILE H H 8 8.628 8.628 8.234 0.394 19942 5257 1 11 . 1 1 9 9 SER N N 9 120.939 120.939 124.077 -3.138 19942 5258 1 11 . 1 1 9 9 SER HA H 9 4.907 4.907 4.920 -0.013 19942 5259 1 11 . 1 1 9 9 SER C C 9 173.176 173.176 172.775 0.401 19942 5260 1 11 . 1 1 9 9 SER CA C 9 56.291 56.291 56.729 -0.438 19942 5261 1 11 . 1 1 9 9 SER CB C 9 65.325 65.325 66.337 -1.012 19942 5262 1 11 . 1 1 9 9 SER H H 9 8.761 8.761 8.713 0.048 19942 5263 1 11 . 1 1 10 10 ILE N N 10 126.047 126.047 123.052 2.995 19942 5264 1 11 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.697 0.780 19942 5265 1 11 . 1 1 10 10 ILE C C 10 175.259 175.259 175.746 -0.487 19942 5266 1 11 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.476 -1.384 19942 5267 1 11 . 1 1 10 10 ILE CB C 10 39.842 39.842 41.181 -1.339 19942 5268 1 11 . 1 1 10 10 ILE H H 10 8.852 8.852 8.479 0.373 19942 5269 1 11 . 1 1 11 11 SER N N 11 122.938 122.938 123.568 -0.630 19942 5270 1 11 . 1 1 11 11 SER HA H 11 4.704 4.704 5.032 -0.328 19942 5271 1 11 . 1 1 11 11 SER C C 11 170.288 170.288 173.011 -2.723 19942 5272 1 11 . 1 1 11 11 SER CA C 11 55.401 55.401 56.519 -1.118 19942 5273 1 11 . 1 1 11 11 SER CB C 11 65.248 65.248 62.596 2.652 19942 5274 1 11 . 1 1 11 11 SER H H 11 9.108 9.108 9.223 -0.115 19942 5275 1 11 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.291 0.406 19942 5276 1 11 . 1 1 12 12 PRO C C 12 175.467 175.467 176.005 -0.538 19942 5277 1 11 . 1 1 12 12 PRO CA C 12 61.456 61.456 64.186 -2.731 19942 5278 1 11 . 1 1 12 12 PRO CB C 12 34.906 34.906 31.907 2.999 19942 5279 1 11 . 1 1 13 13 ILE N N 13 118.003 118.003 119.287 -1.284 19942 5280 1 11 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.024 0.327 19942 5281 1 11 . 1 1 13 13 ILE C C 13 176.535 176.535 177.109 -0.574 19942 5282 1 11 . 1 1 13 13 ILE CA C 13 61.092 61.092 61.147 -0.055 19942 5283 1 11 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.197 0.036 19942 5284 1 11 . 1 1 13 13 ILE H H 13 8.233 8.233 7.929 0.304 19942 5285 1 11 . 1 1 14 14 ASN N N 14 122.727 122.727 122.366 0.361 19942 5286 1 11 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.595 0.181 19942 5287 1 11 . 1 1 14 14 ASN C C 14 175.286 175.286 175.454 -0.168 19942 5288 1 11 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.309 -1.723 19942 5289 1 11 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.865 -1.369 19942 5290 1 11 . 1 1 14 14 ASN H H 14 8.501 8.501 8.557 -0.056 19942 5291 1 11 . 1 1 15 15 THR N N 15 114.899 114.899 114.564 0.335 19942 5292 1 11 . 1 1 15 15 THR HA H 15 4.587 4.587 4.534 0.053 19942 5293 1 11 . 1 1 15 15 THR C C 15 173.339 173.339 172.537 0.802 19942 5294 1 11 . 1 1 15 15 THR CA C 15 61.059 61.059 61.540 -0.481 19942 5295 1 11 . 1 1 15 15 THR CB C 15 69.683 69.683 67.577 2.106 19942 5296 1 11 . 1 1 15 15 THR H H 15 8.878 8.878 8.234 0.644 19942 5297 1 11 . 1 1 16 16 ASN N N 16 119.994 119.994 125.461 -5.467 19942 5298 1 11 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.267 0.547 19942 5299 1 11 . 1 1 16 16 ASN C C 16 173.995 173.995 173.575 0.420 19942 5300 1 11 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.731 -0.345 19942 5301 1 11 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.484 -1.105 19942 5302 1 11 . 1 1 16 16 ASN H H 16 8.293 8.293 8.413 -0.120 19942 5303 1 11 . 1 1 17 17 ILE N N 17 118.356 118.356 120.773 -2.417 19942 5304 1 11 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.325 0.398 19942 5305 1 11 . 1 1 17 17 ILE C C 17 173.556 173.556 173.364 0.192 19942 5306 1 11 . 1 1 17 17 ILE CA C 17 59.491 59.491 59.773 -0.282 19942 5307 1 11 . 1 1 17 17 ILE CB C 17 42.437 42.437 42.458 -0.021 19942 5308 1 11 . 1 1 17 17 ILE H H 17 8.962 8.962 8.195 0.767 19942 5309 1 11 . 1 1 18 18 ASN N N 18 122.798 122.798 122.167 0.631 19942 5310 1 11 . 1 1 18 18 ASN HA H 18 5.539 5.539 5.070 0.469 19942 5311 1 11 . 1 1 18 18 ASN C C 18 176.607 176.607 174.701 1.906 19942 5312 1 11 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.567 -0.275 19942 5313 1 11 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.511 -1.169 19942 5314 1 11 . 1 1 18 18 ASN H H 18 8.404 8.404 8.264 0.140 19942 5315 1 11 . 1 1 19 19 THR C C 19 175.737 175.737 174.621 1.116 19942 5316 1 11 . 1 1 19 19 THR CA C 19 62.695 62.695 63.651 -0.956 19942 5317 1 11 . 1 1 19 19 THR CB C 19 68.758 68.758 68.202 0.556 19942 5318 1 11 . 1 1 20 20 THR N N 20 113.750 113.750 114.703 -0.953 19942 5319 1 11 . 1 1 20 20 THR HA H 20 4.281 4.281 3.831 0.450 19942 5320 1 11 . 1 1 20 20 THR C C 20 173.630 173.630 173.048 0.582 19942 5321 1 11 . 1 1 20 20 THR CA C 20 64.559 64.559 63.119 1.440 19942 5322 1 11 . 1 1 20 20 THR CB C 20 69.925 69.925 67.737 2.188 19942 5323 1 11 . 1 1 20 20 THR H H 20 8.400 8.400 8.381 0.019 19942 5324 1 11 . 1 1 21 21 VAL N N 21 124.237 124.237 121.325 2.912 19942 5325 1 11 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.242 0.006 19942 5326 1 11 . 1 1 21 21 VAL C C 21 175.464 175.464 175.352 0.112 19942 5327 1 11 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.798 1.475 19942 5328 1 11 . 1 1 21 21 VAL H H 21 7.953 7.953 7.695 0.258 19942 5329 1 11 . 1 1 22 22 SER HA H 22 5.542 5.542 4.672 0.870 19942 5330 1 11 . 1 1 22 22 SER C C 22 173.145 173.145 173.801 -0.656 19942 5331 1 11 . 1 1 22 22 SER CA C 22 58.153 58.153 58.187 -0.034 19942 5332 1 11 . 1 1 22 22 SER CB C 22 64.768 64.768 63.806 0.962 19942 5333 1 11 . 1 1 23 23 LYS N N 23 124.177 124.177 125.539 -1.362 19942 5334 1 11 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.437 0.073 19942 5335 1 11 . 1 1 23 23 LYS C C 23 173.847 173.847 173.924 -0.077 19942 5336 1 11 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.154 -0.203 19942 5337 1 11 . 1 1 23 23 LYS CB C 23 36.916 36.916 34.701 2.215 19942 5338 1 11 . 1 1 23 23 LYS H H 23 9.372 9.372 8.750 0.622 19942 5339 1 11 . 1 1 24 24 GLN N N 24 128.777 128.777 126.742 2.035 19942 5340 1 11 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.368 -0.684 19942 5341 1 11 . 1 1 24 24 GLN C C 24 173.229 173.229 173.884 -0.655 19942 5342 1 11 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.728 2.400 19942 5343 1 11 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.460 -1.942 19942 5344 1 11 . 1 1 24 24 GLN H H 24 8.742 8.742 8.310 0.432 19942 5345 1 11 . 1 1 25 25 PHE N N 25 128.481 128.481 118.924 9.557 19942 5346 1 11 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.817 0.188 19942 5347 1 11 . 1 1 25 25 PHE C C 25 174.268 174.268 173.433 0.835 19942 5348 1 11 . 1 1 25 25 PHE CA C 25 56.358 56.358 53.998 2.360 19942 5349 1 11 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.850 -0.017 19942 5350 1 11 . 1 1 25 25 PHE H H 25 7.728 7.728 6.454 1.274 19942 5351 1 11 . 1 1 26 26 PHE N N 26 114.641 114.641 118.455 -3.814 19942 5352 1 11 . 1 1 26 26 PHE HA H 26 5.527 5.527 4.975 0.552 19942 5353 1 11 . 1 1 26 26 PHE C C 26 175.679 175.679 175.039 0.640 19942 5354 1 11 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.978 0.173 19942 5355 1 11 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.458 0.279 19942 5356 1 11 . 1 1 26 26 PHE H H 26 9.354 9.354 7.923 1.431 19942 5357 1 11 . 1 1 27 27 ALA N N 27 123.352 123.352 125.517 -2.165 19942 5358 1 11 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.048 0.157 19942 5359 1 11 . 1 1 27 27 ALA C C 27 174.966 174.966 175.499 -0.533 19942 5360 1 11 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.677 -0.731 19942 5361 1 11 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.336 0.554 19942 5362 1 11 . 1 1 27 27 ALA H H 27 8.935 8.935 9.430 -0.495 19942 5363 1 11 . 1 1 28 28 VAL N N 28 122.875 122.875 124.587 -1.712 19942 5364 1 11 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.855 -0.188 19942 5365 1 11 . 1 1 28 28 VAL C C 28 177.371 177.371 175.069 2.302 19942 5366 1 11 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.813 0.401 19942 5367 1 11 . 1 1 28 28 VAL CB C 28 34.295 34.295 35.095 -0.800 19942 5368 1 11 . 1 1 28 28 VAL H H 28 8.933 8.933 8.724 0.209 19942 5369 1 11 . 1 1 29 29 GLY N N 29 118.628 118.628 113.831 4.797 19942 5370 1 11 . 1 1 29 29 GLY C C 29 171.637 171.637 172.671 -1.034 19942 5371 1 11 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.454 1.602 19942 5372 1 11 . 1 1 29 29 GLY H H 29 9.852 9.852 8.284 1.568 19942 5373 1 11 . 1 1 30 30 THR N N 30 119.749 119.749 120.526 -0.777 19942 5374 1 11 . 1 1 30 30 THR HA H 30 5.033 5.033 5.057 -0.024 19942 5375 1 11 . 1 1 30 30 THR C C 30 173.854 173.854 173.710 0.144 19942 5376 1 11 . 1 1 30 30 THR CA C 30 62.384 62.384 61.966 0.418 19942 5377 1 11 . 1 1 30 30 THR CB C 30 69.631 69.631 70.488 -0.857 19942 5378 1 11 . 1 1 30 30 THR H H 30 8.632 8.632 7.937 0.695 19942 5379 1 11 . 1 1 31 31 TYR N N 31 126.778 126.778 126.508 0.270 19942 5380 1 11 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.886 0.133 19942 5381 1 11 . 1 1 31 31 TYR C C 31 179.438 179.438 178.140 1.298 19942 5382 1 11 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.951 0.061 19942 5383 1 11 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.361 1.509 19942 5384 1 11 . 1 1 31 31 TYR H H 31 9.411 9.411 9.006 0.405 19942 5385 1 11 . 1 1 32 32 SER N N 32 118.249 118.249 118.786 -0.537 19942 5386 1 11 . 1 1 32 32 SER HA H 32 4.112 4.112 4.231 -0.119 19942 5387 1 11 . 1 1 32 32 SER C C 32 174.175 174.175 175.314 -1.139 19942 5388 1 11 . 1 1 32 32 SER CA C 32 61.407 61.407 60.806 0.601 19942 5389 1 11 . 1 1 32 32 SER CB C 32 62.779 62.779 63.232 -0.453 19942 5390 1 11 . 1 1 32 32 SER H H 32 9.767 9.767 8.631 1.136 19942 5391 1 11 . 1 1 33 33 ASP N N 33 119.614 119.614 120.473 -0.859 19942 5392 1 11 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.656 0.078 19942 5393 1 11 . 1 1 33 33 ASP C C 33 177.097 177.097 177.129 -0.032 19942 5394 1 11 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.354 -1.678 19942 5395 1 11 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.158 0.363 19942 5396 1 11 . 1 1 33 33 ASP H H 33 7.702 7.702 8.034 -0.332 19942 5397 1 11 . 1 1 34 34 GLY N N 34 108.749 108.749 107.301 1.448 19942 5398 1 11 . 1 1 34 34 GLY C C 34 174.828 174.828 174.524 0.304 19942 5399 1 11 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.430 -0.137 19942 5400 1 11 . 1 1 34 34 GLY H H 34 8.420 8.420 8.454 -0.034 19942 5401 1 11 . 1 1 35 35 THR N N 35 113.544 113.544 115.908 -2.364 19942 5402 1 11 . 1 1 35 35 THR HA H 35 4.297 4.297 4.430 -0.133 19942 5403 1 11 . 1 1 35 35 THR C C 35 173.074 173.074 173.407 -0.333 19942 5404 1 11 . 1 1 35 35 THR CA C 35 62.762 62.762 62.113 0.649 19942 5405 1 11 . 1 1 35 35 THR CB C 35 71.079 71.079 70.170 0.909 19942 5406 1 11 . 1 1 35 35 THR H H 35 7.863 7.863 7.749 0.114 19942 5407 1 11 . 1 1 36 36 LYS N N 36 118.248 118.248 121.499 -3.251 19942 5408 1 11 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.240 0.687 19942 5409 1 11 . 1 1 36 36 LYS C C 36 176.847 176.847 175.296 1.551 19942 5410 1 11 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.172 -0.641 19942 5411 1 11 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.078 0.845 19942 5412 1 11 . 1 1 36 36 LYS H H 36 8.374 8.374 8.429 -0.055 19942 5413 1 11 . 1 1 37 37 ALA N N 37 121.621 121.621 124.470 -2.849 19942 5414 1 11 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.567 0.101 19942 5415 1 11 . 1 1 37 37 ALA C C 37 175.556 175.556 174.612 0.944 19942 5416 1 11 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.803 -0.426 19942 5417 1 11 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.867 1.670 19942 5418 1 11 . 1 1 37 37 ALA H H 37 8.892 8.892 8.446 0.446 19942 5419 1 11 . 1 1 38 38 ASP N N 38 121.602 121.602 120.674 0.928 19942 5420 1 11 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.801 0.059 19942 5421 1 11 . 1 1 38 38 ASP C C 38 176.487 176.487 176.583 -0.096 19942 5422 1 11 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.284 0.950 19942 5423 1 11 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.023 -0.248 19942 5424 1 11 . 1 1 38 38 ASP H H 38 8.983 8.983 8.495 0.488 19942 5425 1 11 . 1 1 39 39 LEU N N 39 128.342 128.342 126.811 1.531 19942 5426 1 11 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.635 0.226 19942 5427 1 11 . 1 1 39 39 LEU C C 39 177.565 177.565 177.929 -0.364 19942 5428 1 11 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.381 -0.791 19942 5429 1 11 . 1 1 39 39 LEU CB C 39 43.933 43.933 42.005 1.928 19942 5430 1 11 . 1 1 39 39 LEU H H 39 9.218 9.218 8.783 0.435 19942 5431 1 11 . 1 1 40 40 THR N N 40 122.567 122.567 117.440 5.127 19942 5432 1 11 . 1 1 40 40 THR HA H 40 4.526 4.526 4.373 0.153 19942 5433 1 11 . 1 1 40 40 THR C C 40 174.562 174.562 176.780 -2.218 19942 5434 1 11 . 1 1 40 40 THR CA C 40 69.870 69.870 67.582 2.288 19942 5435 1 11 . 1 1 40 40 THR CB C 40 69.268 69.268 68.428 0.840 19942 5436 1 11 . 1 1 40 40 THR H H 40 8.983 8.983 9.526 -0.543 19942 5437 1 11 . 1 1 41 41 SER N N 41 109.895 109.895 111.725 -1.830 19942 5438 1 11 . 1 1 41 41 SER HA H 41 4.465 4.465 4.555 -0.090 19942 5439 1 11 . 1 1 41 41 SER C C 41 174.686 174.686 175.289 -0.603 19942 5440 1 11 . 1 1 41 41 SER CA C 41 59.960 59.960 59.770 0.190 19942 5441 1 11 . 1 1 41 41 SER CB C 41 63.643 63.643 63.564 0.079 19942 5442 1 11 . 1 1 41 41 SER H H 41 8.749 8.749 8.475 0.274 19942 5443 1 11 . 1 1 42 42 SER N N 42 117.037 117.037 116.943 0.094 19942 5444 1 11 . 1 1 42 42 SER HA H 42 4.706 4.706 4.670 0.036 19942 5445 1 11 . 1 1 42 42 SER C C 42 175.240 175.240 175.372 -0.132 19942 5446 1 11 . 1 1 42 42 SER CA C 42 59.742 59.742 58.995 0.747 19942 5447 1 11 . 1 1 42 42 SER CB C 42 64.724 64.724 64.586 0.138 19942 5448 1 11 . 1 1 42 42 SER H H 42 8.056 8.056 8.086 -0.030 19942 5449 1 11 . 1 1 43 43 VAL N N 43 113.914 113.914 118.599 -4.685 19942 5450 1 11 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.722 -0.410 19942 5451 1 11 . 1 1 43 43 VAL C C 43 174.501 174.501 174.774 -0.273 19942 5452 1 11 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.719 0.353 19942 5453 1 11 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.740 -1.342 19942 5454 1 11 . 1 1 43 43 VAL H H 43 7.498 7.498 8.104 -0.606 19942 5455 1 11 . 1 1 44 44 THR N N 44 116.194 116.194 120.621 -4.427 19942 5456 1 11 . 1 1 44 44 THR HA H 44 4.515 4.515 4.759 -0.244 19942 5457 1 11 . 1 1 44 44 THR C C 44 175.110 175.110 173.967 1.143 19942 5458 1 11 . 1 1 44 44 THR CA C 44 62.468 62.468 62.128 0.340 19942 5459 1 11 . 1 1 44 44 THR CB C 44 69.914 69.914 70.398 -0.484 19942 5460 1 11 . 1 1 44 44 THR H H 44 9.020 9.020 8.110 0.910 19942 5461 1 11 . 1 1 45 45 TRP N N 45 133.716 133.716 127.974 5.742 19942 5462 1 11 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.869 0.515 19942 5463 1 11 . 1 1 45 45 TRP C C 45 176.565 176.565 176.199 0.366 19942 5464 1 11 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.765 -0.031 19942 5465 1 11 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.607 0.888 19942 5466 1 11 . 1 1 45 45 TRP H H 45 9.667 9.667 8.886 0.781 19942 5467 1 11 . 1 1 46 46 SER N N 46 117.142 117.142 117.553 -0.411 19942 5468 1 11 . 1 1 46 46 SER HA H 46 4.620 4.620 4.857 -0.237 19942 5469 1 11 . 1 1 46 46 SER C C 46 171.333 171.333 172.414 -1.081 19942 5470 1 11 . 1 1 46 46 SER CA C 46 58.013 58.013 56.899 1.114 19942 5471 1 11 . 1 1 46 46 SER CB C 46 65.605 65.605 65.966 -0.361 19942 5472 1 11 . 1 1 46 46 SER H H 46 10.001 10.001 8.273 1.728 19942 5473 1 11 . 1 1 47 47 SER N N 47 112.791 112.791 116.574 -3.783 19942 5474 1 11 . 1 1 47 47 SER HA H 47 5.530 5.530 5.125 0.406 19942 5475 1 11 . 1 1 47 47 SER C C 47 176.141 176.141 175.020 1.121 19942 5476 1 11 . 1 1 47 47 SER CA C 47 53.591 53.591 55.721 -2.130 19942 5477 1 11 . 1 1 47 47 SER CB C 47 66.167 66.167 65.050 1.117 19942 5478 1 11 . 1 1 47 47 SER H H 47 8.594 8.594 8.520 0.074 19942 5479 1 11 . 1 1 48 48 SER N N 48 122.562 122.562 120.444 2.118 19942 5480 1 11 . 1 1 48 48 SER HA H 48 4.289 4.289 4.352 -0.063 19942 5481 1 11 . 1 1 48 48 SER C C 48 174.767 174.767 175.549 -0.782 19942 5482 1 11 . 1 1 48 48 SER CA C 48 60.419 60.419 60.647 -0.228 19942 5483 1 11 . 1 1 48 48 SER CB C 48 62.630 62.630 63.452 -0.822 19942 5484 1 11 . 1 1 48 48 SER H H 48 9.685 9.685 8.563 1.122 19942 5485 1 11 . 1 1 49 49 ASN N N 49 118.253 118.253 122.388 -4.135 19942 5486 1 11 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.791 -0.058 19942 5487 1 11 . 1 1 49 49 ASN C C 49 175.845 175.845 174.829 1.016 19942 5488 1 11 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.130 0.436 19942 5489 1 11 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.562 0.522 19942 5490 1 11 . 1 1 49 49 ASN H H 49 8.006 8.006 7.818 0.188 19942 5491 1 11 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.327 0.217 19942 5492 1 11 . 1 1 50 50 GLN C C 50 175.944 175.944 177.247 -1.303 19942 5493 1 11 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.369 -0.907 19942 5494 1 11 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.561 0.352 19942 5495 1 11 . 1 1 51 51 SER N N 51 113.229 113.229 113.242 -0.013 19942 5496 1 11 . 1 1 51 51 SER HA H 51 4.302 4.302 4.296 0.006 19942 5497 1 11 . 1 1 51 51 SER C C 51 173.524 173.524 175.566 -2.042 19942 5498 1 11 . 1 1 51 51 SER CA C 51 59.973 59.973 60.606 -0.633 19942 5499 1 11 . 1 1 51 51 SER CB C 51 62.832 62.832 63.219 -0.387 19942 5500 1 11 . 1 1 51 51 SER H H 51 8.205 8.205 8.537 -0.332 19942 5501 1 11 . 1 1 52 52 GLN N N 52 116.510 116.510 118.540 -2.030 19942 5502 1 11 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.453 0.105 19942 5503 1 11 . 1 1 52 52 GLN C C 52 176.697 176.697 173.865 2.832 19942 5504 1 11 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.874 0.242 19942 5505 1 11 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.850 -0.266 19942 5506 1 11 . 1 1 52 52 GLN H H 52 7.277 7.277 8.354 -1.077 19942 5507 1 11 . 1 1 53 53 ALA N N 53 119.325 119.325 119.139 0.186 19942 5508 1 11 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.701 0.207 19942 5509 1 11 . 1 1 53 53 ALA C C 53 174.225 174.225 175.016 -0.791 19942 5510 1 11 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.630 0.748 19942 5511 1 11 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.205 -0.109 19942 5512 1 11 . 1 1 53 53 ALA H H 53 8.150 8.150 7.410 0.740 19942 5513 1 11 . 1 1 54 54 LYS N N 54 120.764 120.764 121.255 -0.491 19942 5514 1 11 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.809 0.100 19942 5515 1 11 . 1 1 54 54 LYS C C 54 173.892 173.892 174.569 -0.677 19942 5516 1 11 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.323 -1.561 19942 5517 1 11 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.552 -0.444 19942 5518 1 11 . 1 1 54 54 LYS H H 54 8.397 8.397 8.010 0.387 19942 5519 1 11 . 1 1 55 55 VAL N N 55 118.409 118.409 124.781 -6.372 19942 5520 1 11 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.480 0.453 19942 5521 1 11 . 1 1 55 55 VAL C C 55 172.770 172.770 174.776 -2.006 19942 5522 1 11 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.017 -2.947 19942 5523 1 11 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.679 2.195 19942 5524 1 11 . 1 1 55 55 VAL H H 55 8.748 8.748 8.794 -0.046 19942 5525 1 11 . 1 1 56 56 SER N N 56 119.976 119.976 125.041 -5.065 19942 5526 1 11 . 1 1 56 56 SER HA H 56 4.364 4.364 4.758 -0.394 19942 5527 1 11 . 1 1 56 56 SER C C 56 174.635 174.635 172.803 1.832 19942 5528 1 11 . 1 1 56 56 SER CA C 56 57.399 57.399 57.830 -0.431 19942 5529 1 11 . 1 1 56 56 SER CB C 56 63.633 63.633 64.210 -0.577 19942 5530 1 11 . 1 1 56 56 SER H H 56 7.851 7.851 8.602 -0.751 19942 5531 1 11 . 1 1 57 57 ASN N N 57 124.627 124.627 122.392 2.235 19942 5532 1 11 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.945 0.312 19942 5533 1 11 . 1 1 57 57 ASN C C 57 174.450 174.450 174.128 0.322 19942 5534 1 11 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.400 0.988 19942 5535 1 11 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.878 1.652 19942 5536 1 11 . 1 1 57 57 ASN H H 57 9.190 9.190 8.320 0.870 19942 5537 1 11 . 1 1 58 58 ALA N N 58 127.007 127.007 124.797 2.210 19942 5538 1 11 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.487 -0.149 19942 5539 1 11 . 1 1 58 58 ALA C C 58 178.628 178.628 177.977 0.651 19942 5540 1 11 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.378 0.850 19942 5541 1 11 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.229 -1.319 19942 5542 1 11 . 1 1 58 58 ALA H H 58 8.121 8.121 8.483 -0.362 19942 5543 1 11 . 1 1 59 59 SER N N 59 116.407 116.407 114.156 2.251 19942 5544 1 11 . 1 1 59 59 SER HA H 59 4.888 4.888 4.227 0.661 19942 5545 1 11 . 1 1 59 59 SER C C 59 176.729 176.729 177.136 -0.407 19942 5546 1 11 . 1 1 59 59 SER CA C 59 62.500 62.500 61.755 0.745 19942 5547 1 11 . 1 1 59 59 SER CB C 59 63.113 63.113 62.983 0.131 19942 5548 1 11 . 1 1 59 59 SER H H 59 8.767 8.767 8.566 0.201 19942 5549 1 11 . 1 1 60 60 GLU N N 60 117.093 117.093 118.926 -1.833 19942 5550 1 11 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.240 -0.008 19942 5551 1 11 . 1 1 60 60 GLU C C 60 177.467 177.467 177.330 0.137 19942 5552 1 11 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.223 0.493 19942 5553 1 11 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.486 0.125 19942 5554 1 11 . 1 1 60 60 GLU H H 60 9.190 9.190 8.563 0.627 19942 5555 1 11 . 1 1 61 61 THR N N 61 107.270 107.270 107.922 -0.652 19942 5556 1 11 . 1 1 61 61 THR HA H 61 4.820 4.820 4.348 0.472 19942 5557 1 11 . 1 1 61 61 THR C C 61 173.068 173.068 174.551 -1.483 19942 5558 1 11 . 1 1 61 61 THR CA C 61 59.191 59.191 61.227 -2.036 19942 5559 1 11 . 1 1 61 61 THR CB C 61 69.219 69.219 68.940 0.279 19942 5560 1 11 . 1 1 61 61 THR H H 61 7.369 7.369 7.627 -0.258 19942 5561 1 11 . 1 1 62 62 LYS N N 62 122.917 122.917 122.898 0.019 19942 5562 1 11 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.163 -0.477 19942 5563 1 11 . 1 1 62 62 LYS C C 62 178.225 178.225 176.819 1.406 19942 5564 1 11 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.081 0.040 19942 5565 1 11 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.583 0.707 19942 5566 1 11 . 1 1 62 62 LYS H H 62 6.924 6.924 7.436 -0.512 19942 5567 1 11 . 1 1 63 63 GLY N N 63 111.784 111.784 110.030 1.754 19942 5568 1 11 . 1 1 63 63 GLY C C 63 171.831 171.831 172.287 -0.456 19942 5569 1 11 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.274 0.081 19942 5570 1 11 . 1 1 63 63 GLY H H 63 7.966 7.966 8.545 -0.579 19942 5571 1 11 . 1 1 64 64 LEU N N 64 120.854 120.854 120.672 0.182 19942 5572 1 11 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.407 -0.347 19942 5573 1 11 . 1 1 64 64 LEU C C 64 176.666 176.666 174.173 2.493 19942 5574 1 11 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.689 1.874 19942 5575 1 11 . 1 1 64 64 LEU CB C 64 43.073 43.073 42.852 0.221 19942 5576 1 11 . 1 1 64 64 LEU H H 64 7.785 7.785 7.735 0.050 19942 5577 1 11 . 1 1 65 65 VAL N N 65 135.184 135.184 126.410 8.774 19942 5578 1 11 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.406 0.230 19942 5579 1 11 . 1 1 65 65 VAL C C 65 174.956 174.956 174.723 0.233 19942 5580 1 11 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.969 0.354 19942 5581 1 11 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.859 -2.863 19942 5582 1 11 . 1 1 65 65 VAL H H 65 8.973 8.973 8.142 0.831 19942 5583 1 11 . 1 1 66 66 THR N N 66 121.955 121.955 123.205 -1.250 19942 5584 1 11 . 1 1 66 66 THR HA H 66 4.774 4.774 4.657 0.117 19942 5585 1 11 . 1 1 66 66 THR C C 66 174.266 174.266 173.636 0.630 19942 5586 1 11 . 1 1 66 66 THR CA C 66 61.225 61.225 61.191 0.034 19942 5587 1 11 . 1 1 66 66 THR CB C 66 71.190 71.190 70.281 0.909 19942 5588 1 11 . 1 1 66 66 THR H H 66 8.947 8.947 8.232 0.715 19942 5589 1 11 . 1 1 67 67 GLY N N 67 114.304 114.304 114.039 0.265 19942 5590 1 11 . 1 1 67 67 GLY C C 67 172.326 172.326 174.517 -2.191 19942 5591 1 11 . 1 1 67 67 GLY CA C 67 46.232 46.232 44.051 2.181 19942 5592 1 11 . 1 1 67 67 GLY H H 67 9.201 9.201 8.159 1.042 19942 5593 1 11 . 1 1 68 68 ILE N N 68 126.492 126.492 125.813 0.679 19942 5594 1 11 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.998 0.125 19942 5595 1 11 . 1 1 68 68 ILE C C 68 175.021 175.021 175.970 -0.949 19942 5596 1 11 . 1 1 68 68 ILE CA C 68 61.608 61.608 61.359 0.249 19942 5597 1 11 . 1 1 68 68 ILE CB C 68 39.154 39.154 37.710 1.444 19942 5598 1 11 . 1 1 68 68 ILE H H 68 8.927 8.927 7.934 0.993 19942 5599 1 11 . 1 1 69 69 ALA N N 69 122.378 122.378 118.863 3.515 19942 5600 1 11 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.445 -0.050 19942 5601 1 11 . 1 1 69 69 ALA C C 69 174.111 174.111 175.480 -1.369 19942 5602 1 11 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.582 -0.723 19942 5603 1 11 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.889 2.168 19942 5604 1 11 . 1 1 69 69 ALA H H 69 8.413 8.413 7.536 0.877 19942 5605 1 11 . 1 1 70 70 SER N N 70 110.668 110.668 116.914 -6.246 19942 5606 1 11 . 1 1 70 70 SER HA H 70 4.013 4.013 4.573 -0.560 19942 5607 1 11 . 1 1 70 70 SER C C 70 174.180 174.180 174.087 0.093 19942 5608 1 11 . 1 1 70 70 SER CA C 70 58.620 58.620 57.461 1.159 19942 5609 1 11 . 1 1 70 70 SER CB C 70 64.114 64.114 64.921 -0.807 19942 5610 1 11 . 1 1 70 70 SER H H 70 8.109 8.109 7.724 0.385 19942 5611 1 11 . 1 1 71 71 GLY N N 71 108.506 108.506 108.136 0.370 19942 5612 1 11 . 1 1 71 71 GLY C C 71 170.868 170.868 173.342 -2.474 19942 5613 1 11 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.007 -0.664 19942 5614 1 11 . 1 1 71 71 GLY H H 71 8.055 8.055 8.902 -0.847 19942 5615 1 11 . 1 1 72 72 ASN N N 72 116.234 116.234 117.876 -1.642 19942 5616 1 11 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.428 -0.536 19942 5617 1 11 . 1 1 72 72 ASN C C 72 171.109 171.109 172.768 -1.659 19942 5618 1 11 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.871 -0.462 19942 5619 1 11 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.744 -0.772 19942 5620 1 11 . 1 1 72 72 ASN H H 72 8.238 8.238 8.318 -0.080 19942 5621 1 11 . 1 1 73 73 PRO C C 73 173.522 173.522 175.783 -2.261 19942 5622 1 11 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.513 0.809 19942 5623 1 11 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.085 -1.032 19942 5624 1 11 . 1 1 74 74 THR N N 74 115.192 115.192 117.219 -2.027 19942 5625 1 11 . 1 1 74 74 THR HA H 74 4.399 4.399 4.705 -0.306 19942 5626 1 11 . 1 1 74 74 THR C C 74 173.467 173.467 173.619 -0.152 19942 5627 1 11 . 1 1 74 74 THR CA C 74 61.852 61.852 62.166 -0.314 19942 5628 1 11 . 1 1 74 74 THR CB C 74 70.609 70.609 70.890 -0.281 19942 5629 1 11 . 1 1 74 74 THR H H 74 8.775 8.775 8.048 0.727 19942 5630 1 11 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.719 0.164 19942 5631 1 11 . 1 1 75 75 ILE CA C 75 61.787 61.787 59.842 1.945 19942 5632 1 11 . 1 1 75 75 ILE CB C 75 36.867 36.867 39.228 -2.361 19942 5633 1 11 . 1 1 76 76 ILE N N 76 126.694 126.694 128.242 -1.548 19942 5634 1 11 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.350 0.325 19942 5635 1 11 . 1 1 76 76 ILE C C 76 173.870 173.870 174.534 -0.664 19942 5636 1 11 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.110 0.433 19942 5637 1 11 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.081 0.838 19942 5638 1 11 . 1 1 76 76 ILE H H 76 8.982 8.982 7.881 1.101 19942 5639 1 11 . 1 1 77 77 ALA N N 77 126.455 126.455 130.585 -4.130 19942 5640 1 11 . 1 1 77 77 ALA HA H 77 4.499 4.499 5.052 -0.553 19942 5641 1 11 . 1 1 77 77 ALA C C 77 175.857 175.857 176.062 -0.205 19942 5642 1 11 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.660 0.133 19942 5643 1 11 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.448 0.224 19942 5644 1 11 . 1 1 77 77 ALA H H 77 8.431 8.431 8.638 -0.207 19942 5645 1 11 . 1 1 78 78 THR N N 78 116.767 116.767 119.784 -3.017 19942 5646 1 11 . 1 1 78 78 THR HA H 78 4.849 4.849 4.608 0.241 19942 5647 1 11 . 1 1 78 78 THR C C 78 173.211 173.211 172.523 0.688 19942 5648 1 11 . 1 1 78 78 THR CA C 78 61.343 61.343 61.532 -0.190 19942 5649 1 11 . 1 1 78 78 THR CB C 78 71.627 71.627 71.148 0.479 19942 5650 1 11 . 1 1 78 78 THR H H 78 8.135 8.135 8.161 -0.026 19942 5651 1 11 . 1 1 79 79 TYR N N 79 127.950 127.950 128.695 -0.745 19942 5652 1 11 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.746 -0.117 19942 5653 1 11 . 1 1 79 79 TYR C C 79 174.921 174.921 174.956 -0.035 19942 5654 1 11 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.809 0.698 19942 5655 1 11 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.573 -0.001 19942 5656 1 11 . 1 1 79 79 TYR H H 79 9.136 9.136 8.879 0.257 19942 5657 1 11 . 1 1 80 80 GLY N N 80 118.393 118.393 116.582 1.811 19942 5658 1 11 . 1 1 80 80 GLY C C 80 174.902 174.902 174.553 0.349 19942 5659 1 11 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.399 0.470 19942 5660 1 11 . 1 1 80 80 GLY H H 80 8.786 8.786 8.336 0.450 19942 5661 1 11 . 1 1 81 81 SER N N 81 113.872 113.872 118.456 -4.584 19942 5662 1 11 . 1 1 81 81 SER HA H 81 4.348 4.348 4.585 -0.237 19942 5663 1 11 . 1 1 81 81 SER C C 81 173.279 173.279 174.046 -0.767 19942 5664 1 11 . 1 1 81 81 SER CA C 81 58.658 58.658 58.262 0.396 19942 5665 1 11 . 1 1 81 81 SER CB C 81 63.490 63.490 63.859 -0.369 19942 5666 1 11 . 1 1 81 81 SER H H 81 7.878 7.878 8.285 -0.407 19942 5667 1 11 . 1 1 82 82 VAL N N 82 124.320 124.320 123.781 0.539 19942 5668 1 11 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.386 -0.137 19942 5669 1 11 . 1 1 82 82 VAL C C 82 173.455 173.455 174.057 -0.602 19942 5670 1 11 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.830 -0.178 19942 5671 1 11 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.660 -1.194 19942 5672 1 11 . 1 1 82 82 VAL H H 82 7.845 7.845 7.853 -0.008 19942 5673 1 11 . 1 1 83 83 SER N N 83 119.056 119.056 121.096 -2.040 19942 5674 1 11 . 1 1 83 83 SER HA H 83 5.507 5.507 4.934 0.573 19942 5675 1 11 . 1 1 83 83 SER C C 83 173.841 173.841 173.244 0.597 19942 5676 1 11 . 1 1 83 83 SER CA C 83 56.624 56.624 56.965 -0.341 19942 5677 1 11 . 1 1 83 83 SER CB C 83 66.733 66.733 66.498 0.235 19942 5678 1 11 . 1 1 83 83 SER H H 83 8.549 8.549 8.473 0.076 19942 5679 1 11 . 1 1 84 84 GLY N N 84 111.431 111.431 109.335 2.096 19942 5680 1 11 . 1 1 84 84 GLY C C 84 171.253 171.253 172.524 -1.271 19942 5681 1 11 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.391 -0.108 19942 5682 1 11 . 1 1 84 84 GLY H H 84 8.957 8.957 8.449 0.508 19942 5683 1 11 . 1 1 85 85 ASN N N 85 114.909 114.909 120.990 -6.081 19942 5684 1 11 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.181 0.718 19942 5685 1 11 . 1 1 85 85 ASN C C 85 174.553 174.553 174.803 -0.250 19942 5686 1 11 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.106 0.688 19942 5687 1 11 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.272 1.874 19942 5688 1 11 . 1 1 85 85 ASN H H 85 8.752 8.752 8.470 0.282 19942 5689 1 11 . 1 1 86 86 THR N N 86 114.501 114.501 118.010 -3.509 19942 5690 1 11 . 1 1 86 86 THR HA H 86 4.677 4.677 4.610 0.067 19942 5691 1 11 . 1 1 86 86 THR C C 86 170.890 170.890 172.921 -2.031 19942 5692 1 11 . 1 1 86 86 THR CA C 86 61.715 61.715 61.136 0.579 19942 5693 1 11 . 1 1 86 86 THR CB C 86 70.636 70.636 71.762 -1.126 19942 5694 1 11 . 1 1 86 86 THR H H 86 8.922 8.922 8.549 0.373 19942 5695 1 11 . 1 1 87 87 ILE N N 87 125.857 125.857 123.594 2.263 19942 5696 1 11 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.271 0.271 19942 5697 1 11 . 1 1 87 87 ILE C C 87 175.495 175.495 174.853 0.642 19942 5698 1 11 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.208 2.035 19942 5699 1 11 . 1 1 87 87 ILE CB C 87 39.423 39.423 37.818 1.605 19942 5700 1 11 . 1 1 87 87 ILE H H 87 8.020 8.020 8.508 -0.488 19942 5701 1 11 . 1 1 88 88 LEU N N 88 129.304 129.304 129.227 0.077 19942 5702 1 11 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.670 0.013 19942 5703 1 11 . 1 1 88 88 LEU C C 88 174.979 174.979 176.242 -1.263 19942 5704 1 11 . 1 1 88 88 LEU CA C 88 53.738 53.738 54.004 -0.266 19942 5705 1 11 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.538 1.098 19942 5706 1 11 . 1 1 88 88 LEU H H 88 8.797 8.797 8.346 0.451 19942 5707 1 11 . 1 1 89 89 THR N N 89 117.751 117.751 119.170 -1.419 19942 5708 1 11 . 1 1 89 89 THR HA H 89 4.749 4.749 4.760 -0.011 19942 5709 1 11 . 1 1 89 89 THR C C 89 173.269 173.269 173.371 -0.102 19942 5710 1 11 . 1 1 89 89 THR CA C 89 62.794 62.794 61.056 1.738 19942 5711 1 11 . 1 1 89 89 THR CB C 89 70.202 70.202 70.764 -0.562 19942 5712 1 11 . 1 1 89 89 THR H H 89 7.882 7.882 9.230 -1.348 19942 5713 1 11 . 1 1 90 90 VAL N N 90 127.485 127.485 125.218 2.267 19942 5714 1 11 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.077 0.760 19942 5715 1 11 . 1 1 90 90 VAL C C 90 176.460 176.460 174.649 1.811 19942 5716 1 11 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.172 -1.761 19942 5717 1 11 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.209 0.450 19942 5718 1 11 . 1 1 90 90 VAL H H 90 9.139 9.139 8.278 0.861 19942 5719 1 11 . 1 1 91 91 ASN N N 91 126.674 126.674 126.488 0.186 19942 5720 1 11 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.849 -0.010 19942 5721 1 11 . 1 1 91 91 ASN C C 91 174.311 174.311 173.781 0.530 19942 5722 1 11 . 1 1 91 91 ASN CA C 91 52.779 52.779 52.022 0.757 19942 5723 1 11 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.601 -0.824 19942 5724 1 11 . 1 1 91 91 ASN H H 91 8.992 8.992 8.319 0.673 19942 5725 1 11 . 1 1 92 92 LYS N N 92 122.622 122.622 126.157 -3.535 19942 5726 1 11 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.533 -0.115 19942 5727 1 11 . 1 1 92 92 LYS C C 92 176.757 176.757 177.326 -0.569 19942 5728 1 11 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.972 0.498 19942 5729 1 11 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.691 0.610 19942 5730 1 11 . 1 1 92 92 LYS H H 92 8.556 8.556 8.677 -0.121 19942 5731 1 11 . 1 1 93 93 THR N N 93 119.358 119.358 118.536 0.822 19942 5732 1 11 . 1 1 93 93 THR HA H 93 4.315 4.315 4.107 0.208 19942 5733 1 11 . 1 1 93 93 THR C C 93 174.018 174.018 174.765 -0.747 19942 5734 1 11 . 1 1 93 93 THR CA C 93 62.060 62.060 63.612 -1.552 19942 5735 1 11 . 1 1 93 93 THR CB C 93 69.715 69.715 69.157 0.558 19942 5736 1 11 . 1 1 93 93 THR H H 93 8.439 8.439 8.864 -0.425 19942 5737 1 11 . 1 1 94 94 ASP N N 94 124.142 124.142 123.055 1.087 19942 5738 1 11 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.454 0.211 19942 5739 1 11 . 1 1 94 94 ASP C C 94 175.464 175.464 175.364 0.100 19942 5740 1 11 . 1 1 94 94 ASP CA C 94 54.515 54.515 54.442 0.073 19942 5741 1 11 . 1 1 94 94 ASP CB C 94 41.117 41.117 38.855 2.262 19942 5742 1 11 . 1 1 94 94 ASP H H 94 8.583 8.583 8.717 -0.134 19942 5743 1 12 . 1 1 3 3 ALA N N 3 123.810 123.810 121.848 1.962 19942 5744 1 12 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.085 0.124 19942 5745 1 12 . 1 1 3 3 ALA C C 3 177.476 177.476 176.838 0.638 19942 5746 1 12 . 1 1 3 3 ALA CA C 3 52.450 52.450 53.026 -0.576 19942 5747 1 12 . 1 1 3 3 ALA CB C 3 19.517 19.517 18.745 0.772 19942 5748 1 12 . 1 1 3 3 ALA H H 3 8.387 8.387 7.884 0.503 19942 5749 1 12 . 1 1 4 4 THR N N 4 113.060 113.060 110.358 2.702 19942 5750 1 12 . 1 1 4 4 THR HA H 4 4.621 4.621 4.579 0.042 19942 5751 1 12 . 1 1 4 4 THR C C 4 174.426 174.426 173.143 1.283 19942 5752 1 12 . 1 1 4 4 THR CA C 4 60.020 60.020 60.340 -0.320 19942 5753 1 12 . 1 1 4 4 THR CB C 4 71.041 71.041 71.118 -0.077 19942 5754 1 12 . 1 1 4 4 THR H H 4 8.593 8.593 8.492 0.101 19942 5755 1 12 . 1 1 5 5 LEU N N 5 125.889 125.889 122.851 3.038 19942 5756 1 12 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.233 -0.797 19942 5757 1 12 . 1 1 5 5 LEU C C 5 175.432 175.432 176.326 -0.894 19942 5758 1 12 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.400 1.791 19942 5759 1 12 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.623 -1.364 19942 5760 1 12 . 1 1 5 5 LEU H H 5 8.888 8.888 8.549 0.339 19942 5761 1 12 . 1 1 6 6 SER N N 6 123.564 123.564 124.150 -0.586 19942 5762 1 12 . 1 1 6 6 SER HA H 6 4.574 4.574 4.402 0.172 19942 5763 1 12 . 1 1 6 6 SER C C 6 174.217 174.217 174.706 -0.489 19942 5764 1 12 . 1 1 6 6 SER CA C 6 59.688 59.688 60.234 -0.547 19942 5765 1 12 . 1 1 6 6 SER CB C 6 64.300 64.300 64.087 0.213 19942 5766 1 12 . 1 1 6 6 SER H H 6 9.155 9.155 8.603 0.552 19942 5767 1 12 . 1 1 7 7 SER N N 7 112.212 112.212 112.892 -0.680 19942 5768 1 12 . 1 1 7 7 SER HA H 7 4.499 4.499 4.755 -0.256 19942 5769 1 12 . 1 1 7 7 SER C C 7 171.592 171.592 172.001 -0.409 19942 5770 1 12 . 1 1 7 7 SER CA C 7 57.676 57.676 57.602 0.074 19942 5771 1 12 . 1 1 7 7 SER CB C 7 64.795 64.795 64.906 -0.111 19942 5772 1 12 . 1 1 7 7 SER H H 7 7.913 7.913 7.660 0.253 19942 5773 1 12 . 1 1 8 8 ILE N N 8 120.132 120.132 116.394 3.738 19942 5774 1 12 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.610 0.051 19942 5775 1 12 . 1 1 8 8 ILE C C 8 174.094 174.094 174.974 -0.880 19942 5776 1 12 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.711 0.606 19942 5777 1 12 . 1 1 8 8 ILE CB C 8 42.926 42.926 41.217 1.709 19942 5778 1 12 . 1 1 8 8 ILE H H 8 8.628 8.628 8.217 0.411 19942 5779 1 12 . 1 1 9 9 SER N N 9 120.939 120.939 119.353 1.586 19942 5780 1 12 . 1 1 9 9 SER HA H 9 4.907 4.907 4.895 0.012 19942 5781 1 12 . 1 1 9 9 SER C C 9 173.176 173.176 173.575 -0.399 19942 5782 1 12 . 1 1 9 9 SER CA C 9 56.291 56.291 57.088 -0.797 19942 5783 1 12 . 1 1 9 9 SER CB C 9 65.325 65.325 66.133 -0.808 19942 5784 1 12 . 1 1 9 9 SER H H 9 8.761 8.761 8.897 -0.136 19942 5785 1 12 . 1 1 10 10 ILE N N 10 126.047 126.047 122.946 3.101 19942 5786 1 12 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.446 1.031 19942 5787 1 12 . 1 1 10 10 ILE C C 10 175.259 175.259 176.425 -1.166 19942 5788 1 12 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.767 -1.675 19942 5789 1 12 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.528 0.314 19942 5790 1 12 . 1 1 10 10 ILE H H 10 8.852 8.852 8.488 0.364 19942 5791 1 12 . 1 1 11 11 SER N N 11 122.938 122.938 124.726 -1.788 19942 5792 1 12 . 1 1 11 11 SER HA H 11 4.704 4.704 4.957 -0.253 19942 5793 1 12 . 1 1 11 11 SER C C 11 170.288 170.288 173.246 -2.958 19942 5794 1 12 . 1 1 11 11 SER CA C 11 55.401 55.401 56.766 -1.365 19942 5795 1 12 . 1 1 11 11 SER CB C 11 65.248 65.248 62.584 2.664 19942 5796 1 12 . 1 1 11 11 SER H H 11 9.108 9.108 8.842 0.266 19942 5797 1 12 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.301 0.396 19942 5798 1 12 . 1 1 12 12 PRO C C 12 175.467 175.467 176.009 -0.542 19942 5799 1 12 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.717 -2.261 19942 5800 1 12 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.165 2.741 19942 5801 1 12 . 1 1 13 13 ILE N N 13 118.003 118.003 119.688 -1.685 19942 5802 1 12 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.203 0.148 19942 5803 1 12 . 1 1 13 13 ILE C C 13 176.535 176.535 176.385 0.150 19942 5804 1 12 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.837 0.255 19942 5805 1 12 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.373 -0.140 19942 5806 1 12 . 1 1 13 13 ILE H H 13 8.233 8.233 8.399 -0.166 19942 5807 1 12 . 1 1 14 14 ASN N N 14 122.727 122.727 125.069 -2.342 19942 5808 1 12 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.444 0.332 19942 5809 1 12 . 1 1 14 14 ASN C C 14 175.286 175.286 175.105 0.181 19942 5810 1 12 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.225 -1.639 19942 5811 1 12 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.100 -0.604 19942 5812 1 12 . 1 1 14 14 ASN H H 14 8.501 8.501 8.876 -0.375 19942 5813 1 12 . 1 1 15 15 THR N N 15 114.899 114.899 116.447 -1.548 19942 5814 1 12 . 1 1 15 15 THR HA H 15 4.587 4.587 4.435 0.152 19942 5815 1 12 . 1 1 15 15 THR C C 15 173.339 173.339 172.615 0.724 19942 5816 1 12 . 1 1 15 15 THR CA C 15 61.059 61.059 61.544 -0.485 19942 5817 1 12 . 1 1 15 15 THR CB C 15 69.683 69.683 69.520 0.163 19942 5818 1 12 . 1 1 15 15 THR H H 15 8.878 8.878 8.287 0.591 19942 5819 1 12 . 1 1 16 16 ASN N N 16 119.994 119.994 122.842 -2.848 19942 5820 1 12 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.682 0.132 19942 5821 1 12 . 1 1 16 16 ASN C C 16 173.995 173.995 173.508 0.487 19942 5822 1 12 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.475 -0.089 19942 5823 1 12 . 1 1 16 16 ASN CB C 16 41.379 41.379 41.815 -0.436 19942 5824 1 12 . 1 1 16 16 ASN H H 16 8.293 8.293 8.387 -0.094 19942 5825 1 12 . 1 1 17 17 ILE N N 17 118.356 118.356 121.017 -2.661 19942 5826 1 12 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.438 0.285 19942 5827 1 12 . 1 1 17 17 ILE C C 17 173.556 173.556 174.748 -1.192 19942 5828 1 12 . 1 1 17 17 ILE CA C 17 59.491 59.491 58.506 0.985 19942 5829 1 12 . 1 1 17 17 ILE CB C 17 42.437 42.437 40.572 1.865 19942 5830 1 12 . 1 1 17 17 ILE H H 17 8.962 8.962 8.023 0.939 19942 5831 1 12 . 1 1 18 18 ASN N N 18 122.798 122.798 122.744 0.054 19942 5832 1 12 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.818 0.721 19942 5833 1 12 . 1 1 18 18 ASN C C 18 176.607 176.607 177.301 -0.694 19942 5834 1 12 . 1 1 18 18 ASN CA C 18 51.292 51.292 53.016 -1.724 19942 5835 1 12 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.701 -0.358 19942 5836 1 12 . 1 1 18 18 ASN H H 18 8.404 8.404 8.549 -0.145 19942 5837 1 12 . 1 1 19 19 THR C C 19 175.737 175.737 175.279 0.458 19942 5838 1 12 . 1 1 19 19 THR CA C 19 62.695 62.695 64.869 -2.174 19942 5839 1 12 . 1 1 19 19 THR CB C 19 68.758 68.758 68.675 0.083 19942 5840 1 12 . 1 1 20 20 THR N N 20 113.750 113.750 117.188 -3.438 19942 5841 1 12 . 1 1 20 20 THR HA H 20 4.281 4.281 4.558 -0.277 19942 5842 1 12 . 1 1 20 20 THR C C 20 173.630 173.630 173.403 0.227 19942 5843 1 12 . 1 1 20 20 THR CA C 20 64.559 64.559 60.987 3.572 19942 5844 1 12 . 1 1 20 20 THR CB C 20 69.925 69.925 68.716 1.210 19942 5845 1 12 . 1 1 20 20 THR H H 20 8.400 8.400 8.121 0.279 19942 5846 1 12 . 1 1 21 21 VAL N N 21 124.237 124.237 124.202 0.035 19942 5847 1 12 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.362 -0.114 19942 5848 1 12 . 1 1 21 21 VAL C C 21 175.464 175.464 173.925 1.539 19942 5849 1 12 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.746 1.527 19942 5850 1 12 . 1 1 21 21 VAL H H 21 7.953 7.953 7.595 0.358 19942 5851 1 12 . 1 1 22 22 SER HA H 22 5.542 5.542 4.959 0.583 19942 5852 1 12 . 1 1 22 22 SER C C 22 173.145 173.145 173.725 -0.580 19942 5853 1 12 . 1 1 22 22 SER CA C 22 58.153 58.153 57.185 0.968 19942 5854 1 12 . 1 1 22 22 SER CB C 22 64.768 64.768 63.848 0.920 19942 5855 1 12 . 1 1 23 23 LYS N N 23 124.177 124.177 127.547 -3.370 19942 5856 1 12 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.481 0.029 19942 5857 1 12 . 1 1 23 23 LYS C C 23 173.847 173.847 174.139 -0.292 19942 5858 1 12 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.812 0.139 19942 5859 1 12 . 1 1 23 23 LYS CB C 23 36.916 36.916 34.878 2.038 19942 5860 1 12 . 1 1 23 23 LYS H H 23 9.372 9.372 7.951 1.421 19942 5861 1 12 . 1 1 24 24 GLN N N 24 128.777 128.777 124.972 3.805 19942 5862 1 12 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.312 -0.628 19942 5863 1 12 . 1 1 24 24 GLN C C 24 173.229 173.229 174.087 -0.858 19942 5864 1 12 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.026 2.102 19942 5865 1 12 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.274 -1.756 19942 5866 1 12 . 1 1 24 24 GLN H H 24 8.742 8.742 8.264 0.478 19942 5867 1 12 . 1 1 25 25 PHE N N 25 128.481 128.481 118.461 10.020 19942 5868 1 12 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.507 0.498 19942 5869 1 12 . 1 1 25 25 PHE C C 25 174.268 174.268 173.396 0.872 19942 5870 1 12 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.578 1.780 19942 5871 1 12 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.219 0.614 19942 5872 1 12 . 1 1 25 25 PHE H H 25 7.728 7.728 6.369 1.359 19942 5873 1 12 . 1 1 26 26 PHE N N 26 114.641 114.641 118.438 -3.797 19942 5874 1 12 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.025 0.502 19942 5875 1 12 . 1 1 26 26 PHE C C 26 175.679 175.679 175.123 0.556 19942 5876 1 12 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.883 0.269 19942 5877 1 12 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.542 0.195 19942 5878 1 12 . 1 1 26 26 PHE H H 26 9.354 9.354 7.861 1.493 19942 5879 1 12 . 1 1 27 27 ALA N N 27 123.352 123.352 123.576 -0.224 19942 5880 1 12 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.157 0.048 19942 5881 1 12 . 1 1 27 27 ALA C C 27 174.966 174.966 175.583 -0.617 19942 5882 1 12 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.660 -0.714 19942 5883 1 12 . 1 1 27 27 ALA CB C 27 21.890 21.890 22.133 -0.243 19942 5884 1 12 . 1 1 27 27 ALA H H 27 8.935 8.935 9.582 -0.647 19942 5885 1 12 . 1 1 28 28 VAL N N 28 122.875 122.875 123.860 -0.985 19942 5886 1 12 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.928 -0.261 19942 5887 1 12 . 1 1 28 28 VAL C C 28 177.371 177.371 175.015 2.356 19942 5888 1 12 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.564 0.650 19942 5889 1 12 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.879 -0.584 19942 5890 1 12 . 1 1 28 28 VAL H H 28 8.933 8.933 8.661 0.272 19942 5891 1 12 . 1 1 29 29 GLY N N 29 118.628 118.628 113.835 4.793 19942 5892 1 12 . 1 1 29 29 GLY C C 29 171.637 171.637 172.413 -0.776 19942 5893 1 12 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.746 1.310 19942 5894 1 12 . 1 1 29 29 GLY H H 29 9.852 9.852 8.549 1.303 19942 5895 1 12 . 1 1 30 30 THR N N 30 119.749 119.749 118.918 0.831 19942 5896 1 12 . 1 1 30 30 THR HA H 30 5.033 5.033 5.275 -0.242 19942 5897 1 12 . 1 1 30 30 THR C C 30 173.854 173.854 173.756 0.098 19942 5898 1 12 . 1 1 30 30 THR CA C 30 62.384 62.384 61.750 0.634 19942 5899 1 12 . 1 1 30 30 THR CB C 30 69.631 69.631 70.877 -1.246 19942 5900 1 12 . 1 1 30 30 THR H H 30 8.632 8.632 8.105 0.527 19942 5901 1 12 . 1 1 31 31 TYR N N 31 126.778 126.778 126.581 0.197 19942 5902 1 12 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.891 0.128 19942 5903 1 12 . 1 1 31 31 TYR C C 31 179.438 179.438 178.355 1.083 19942 5904 1 12 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.751 0.261 19942 5905 1 12 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.488 1.382 19942 5906 1 12 . 1 1 31 31 TYR H H 31 9.411 9.411 9.441 -0.030 19942 5907 1 12 . 1 1 32 32 SER N N 32 118.249 118.249 118.580 -0.331 19942 5908 1 12 . 1 1 32 32 SER HA H 32 4.112 4.112 4.206 -0.094 19942 5909 1 12 . 1 1 32 32 SER C C 32 174.175 174.175 175.072 -0.897 19942 5910 1 12 . 1 1 32 32 SER CA C 32 61.407 61.407 61.022 0.385 19942 5911 1 12 . 1 1 32 32 SER CB C 32 62.779 62.779 62.938 -0.160 19942 5912 1 12 . 1 1 32 32 SER H H 32 9.767 9.767 8.682 1.085 19942 5913 1 12 . 1 1 33 33 ASP N N 33 119.614 119.614 120.462 -0.848 19942 5914 1 12 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.734 -0.000 19942 5915 1 12 . 1 1 33 33 ASP C C 33 177.097 177.097 177.037 0.060 19942 5916 1 12 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.276 -1.600 19942 5917 1 12 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.439 0.082 19942 5918 1 12 . 1 1 33 33 ASP H H 33 7.702 7.702 8.032 -0.330 19942 5919 1 12 . 1 1 34 34 GLY N N 34 108.749 108.749 107.539 1.210 19942 5920 1 12 . 1 1 34 34 GLY C C 34 174.828 174.828 174.583 0.245 19942 5921 1 12 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.419 -0.126 19942 5922 1 12 . 1 1 34 34 GLY H H 34 8.420 8.420 8.449 -0.029 19942 5923 1 12 . 1 1 35 35 THR N N 35 113.544 113.544 116.666 -3.122 19942 5924 1 12 . 1 1 35 35 THR HA H 35 4.297 4.297 4.458 -0.161 19942 5925 1 12 . 1 1 35 35 THR C C 35 173.074 173.074 173.546 -0.472 19942 5926 1 12 . 1 1 35 35 THR CA C 35 62.762 62.762 62.734 0.028 19942 5927 1 12 . 1 1 35 35 THR CB C 35 71.079 71.079 70.217 0.862 19942 5928 1 12 . 1 1 35 35 THR H H 35 7.863 7.863 7.816 0.047 19942 5929 1 12 . 1 1 36 36 LYS N N 36 118.248 118.248 122.634 -4.386 19942 5930 1 12 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.480 0.447 19942 5931 1 12 . 1 1 36 36 LYS C C 36 176.847 176.847 175.354 1.493 19942 5932 1 12 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.027 -0.496 19942 5933 1 12 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.252 0.671 19942 5934 1 12 . 1 1 36 36 LYS H H 36 8.374 8.374 8.515 -0.141 19942 5935 1 12 . 1 1 37 37 ALA N N 37 121.621 121.621 125.318 -3.697 19942 5936 1 12 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.600 0.068 19942 5937 1 12 . 1 1 37 37 ALA C C 37 175.556 175.556 174.665 0.891 19942 5938 1 12 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.640 -0.263 19942 5939 1 12 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.984 1.553 19942 5940 1 12 . 1 1 37 37 ALA H H 37 8.892 8.892 8.529 0.363 19942 5941 1 12 . 1 1 38 38 ASP N N 38 121.602 121.602 120.273 1.329 19942 5942 1 12 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.097 -0.237 19942 5943 1 12 . 1 1 38 38 ASP C C 38 176.487 176.487 176.493 -0.006 19942 5944 1 12 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.013 1.221 19942 5945 1 12 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.349 -0.574 19942 5946 1 12 . 1 1 38 38 ASP H H 38 8.983 8.983 8.496 0.487 19942 5947 1 12 . 1 1 39 39 LEU N N 39 128.342 128.342 127.645 0.697 19942 5948 1 12 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.617 0.244 19942 5949 1 12 . 1 1 39 39 LEU C C 39 177.565 177.565 177.453 0.112 19942 5950 1 12 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.191 -0.602 19942 5951 1 12 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.611 2.322 19942 5952 1 12 . 1 1 39 39 LEU H H 39 9.218 9.218 8.738 0.480 19942 5953 1 12 . 1 1 40 40 THR N N 40 122.567 122.567 117.133 5.434 19942 5954 1 12 . 1 1 40 40 THR HA H 40 4.526 4.526 4.444 0.082 19942 5955 1 12 . 1 1 40 40 THR C C 40 174.562 174.562 176.372 -1.810 19942 5956 1 12 . 1 1 40 40 THR CA C 40 69.870 69.870 67.479 2.391 19942 5957 1 12 . 1 1 40 40 THR CB C 40 69.268 69.268 68.662 0.606 19942 5958 1 12 . 1 1 40 40 THR H H 40 8.983 8.983 8.177 0.806 19942 5959 1 12 . 1 1 41 41 SER N N 41 109.895 109.895 113.044 -3.149 19942 5960 1 12 . 1 1 41 41 SER HA H 41 4.465 4.465 4.543 -0.078 19942 5961 1 12 . 1 1 41 41 SER C C 41 174.686 174.686 175.063 -0.377 19942 5962 1 12 . 1 1 41 41 SER CA C 41 59.960 59.960 60.153 -0.193 19942 5963 1 12 . 1 1 41 41 SER CB C 41 63.643 63.643 63.212 0.431 19942 5964 1 12 . 1 1 41 41 SER H H 41 8.749 8.749 8.697 0.052 19942 5965 1 12 . 1 1 42 42 SER N N 42 117.037 117.037 117.791 -0.754 19942 5966 1 12 . 1 1 42 42 SER HA H 42 4.706 4.706 4.670 0.036 19942 5967 1 12 . 1 1 42 42 SER C C 42 175.240 175.240 175.527 -0.287 19942 5968 1 12 . 1 1 42 42 SER CA C 42 59.742 59.742 59.300 0.442 19942 5969 1 12 . 1 1 42 42 SER CB C 42 64.724 64.724 64.739 -0.015 19942 5970 1 12 . 1 1 42 42 SER H H 42 8.056 8.056 7.943 0.113 19942 5971 1 12 . 1 1 43 43 VAL N N 43 113.914 113.914 118.791 -4.877 19942 5972 1 12 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.693 -0.381 19942 5973 1 12 . 1 1 43 43 VAL C C 43 174.501 174.501 175.237 -0.736 19942 5974 1 12 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.808 0.264 19942 5975 1 12 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.528 -0.130 19942 5976 1 12 . 1 1 43 43 VAL H H 43 7.498 7.498 8.150 -0.652 19942 5977 1 12 . 1 1 44 44 THR N N 44 116.194 116.194 119.842 -3.648 19942 5978 1 12 . 1 1 44 44 THR HA H 44 4.515 4.515 4.723 -0.208 19942 5979 1 12 . 1 1 44 44 THR C C 44 175.110 175.110 173.803 1.307 19942 5980 1 12 . 1 1 44 44 THR CA C 44 62.468 62.468 61.991 0.477 19942 5981 1 12 . 1 1 44 44 THR CB C 44 69.914 69.914 70.541 -0.627 19942 5982 1 12 . 1 1 44 44 THR H H 44 9.020 9.020 8.235 0.785 19942 5983 1 12 . 1 1 45 45 TRP N N 45 133.716 133.716 128.453 5.263 19942 5984 1 12 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.815 0.569 19942 5985 1 12 . 1 1 45 45 TRP C C 45 176.565 176.565 175.924 0.641 19942 5986 1 12 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.524 0.210 19942 5987 1 12 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.642 0.853 19942 5988 1 12 . 1 1 45 45 TRP H H 45 9.667 9.667 8.838 0.829 19942 5989 1 12 . 1 1 46 46 SER N N 46 117.142 117.142 118.360 -1.218 19942 5990 1 12 . 1 1 46 46 SER HA H 46 4.620 4.620 4.835 -0.215 19942 5991 1 12 . 1 1 46 46 SER C C 46 171.333 171.333 172.559 -1.226 19942 5992 1 12 . 1 1 46 46 SER CA C 46 58.013 58.013 57.383 0.630 19942 5993 1 12 . 1 1 46 46 SER CB C 46 65.605 65.605 66.302 -0.697 19942 5994 1 12 . 1 1 46 46 SER H H 46 10.001 10.001 8.287 1.714 19942 5995 1 12 . 1 1 47 47 SER N N 47 112.791 112.791 115.238 -2.447 19942 5996 1 12 . 1 1 47 47 SER HA H 47 5.530 5.530 5.308 0.222 19942 5997 1 12 . 1 1 47 47 SER C C 47 176.141 176.141 175.088 1.053 19942 5998 1 12 . 1 1 47 47 SER CA C 47 53.591 53.591 55.521 -1.930 19942 5999 1 12 . 1 1 47 47 SER CB C 47 66.167 66.167 65.279 0.888 19942 6000 1 12 . 1 1 47 47 SER H H 47 8.594 8.594 8.290 0.304 19942 6001 1 12 . 1 1 48 48 SER N N 48 122.562 122.562 119.063 3.499 19942 6002 1 12 . 1 1 48 48 SER HA H 48 4.289 4.289 4.317 -0.028 19942 6003 1 12 . 1 1 48 48 SER C C 48 174.767 174.767 176.076 -1.309 19942 6004 1 12 . 1 1 48 48 SER CA C 48 60.419 60.419 60.306 0.113 19942 6005 1 12 . 1 1 48 48 SER CB C 48 62.630 62.630 63.526 -0.896 19942 6006 1 12 . 1 1 48 48 SER H H 48 9.685 9.685 8.452 1.233 19942 6007 1 12 . 1 1 49 49 ASN N N 49 118.253 118.253 122.127 -3.874 19942 6008 1 12 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.631 0.102 19942 6009 1 12 . 1 1 49 49 ASN C C 49 175.845 175.845 174.902 0.943 19942 6010 1 12 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.413 0.153 19942 6011 1 12 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.698 1.386 19942 6012 1 12 . 1 1 49 49 ASN H H 49 8.006 8.006 7.893 0.113 19942 6013 1 12 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.308 0.236 19942 6014 1 12 . 1 1 50 50 GLN C C 50 175.944 175.944 177.949 -2.005 19942 6015 1 12 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.630 -1.168 19942 6016 1 12 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.909 0.004 19942 6017 1 12 . 1 1 51 51 SER N N 51 113.229 113.229 114.460 -1.231 19942 6018 1 12 . 1 1 51 51 SER HA H 51 4.302 4.302 4.294 0.008 19942 6019 1 12 . 1 1 51 51 SER C C 51 173.524 173.524 175.199 -1.675 19942 6020 1 12 . 1 1 51 51 SER CA C 51 59.973 59.973 61.083 -1.110 19942 6021 1 12 . 1 1 51 51 SER CB C 51 62.832 62.832 63.216 -0.384 19942 6022 1 12 . 1 1 51 51 SER H H 51 8.205 8.205 8.604 -0.399 19942 6023 1 12 . 1 1 52 52 GLN N N 52 116.510 116.510 118.998 -2.488 19942 6024 1 12 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.441 0.117 19942 6025 1 12 . 1 1 52 52 GLN C C 52 176.697 176.697 173.938 2.759 19942 6026 1 12 . 1 1 52 52 GLN CA C 52 56.116 56.116 56.037 0.079 19942 6027 1 12 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.809 -0.225 19942 6028 1 12 . 1 1 52 52 GLN H H 52 7.277 7.277 8.395 -1.118 19942 6029 1 12 . 1 1 53 53 ALA N N 53 119.325 119.325 118.501 0.824 19942 6030 1 12 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.515 0.393 19942 6031 1 12 . 1 1 53 53 ALA C C 53 174.225 174.225 174.840 -0.615 19942 6032 1 12 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.860 0.518 19942 6033 1 12 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.011 0.085 19942 6034 1 12 . 1 1 53 53 ALA H H 53 8.150 8.150 7.157 0.993 19942 6035 1 12 . 1 1 54 54 LYS N N 54 120.764 120.764 120.204 0.560 19942 6036 1 12 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.835 0.074 19942 6037 1 12 . 1 1 54 54 LYS C C 54 173.892 173.892 174.771 -0.879 19942 6038 1 12 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.186 -1.424 19942 6039 1 12 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.589 -0.481 19942 6040 1 12 . 1 1 54 54 LYS H H 54 8.397 8.397 7.980 0.417 19942 6041 1 12 . 1 1 55 55 VAL N N 55 118.409 118.409 122.832 -4.423 19942 6042 1 12 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.360 0.573 19942 6043 1 12 . 1 1 55 55 VAL C C 55 172.770 172.770 175.519 -2.749 19942 6044 1 12 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.958 -3.888 19942 6045 1 12 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.333 2.541 19942 6046 1 12 . 1 1 55 55 VAL H H 55 8.748 8.748 8.582 0.166 19942 6047 1 12 . 1 1 56 56 SER N N 56 119.976 119.976 124.277 -4.301 19942 6048 1 12 . 1 1 56 56 SER HA H 56 4.364 4.364 4.696 -0.332 19942 6049 1 12 . 1 1 56 56 SER C C 56 174.635 174.635 173.281 1.354 19942 6050 1 12 . 1 1 56 56 SER CA C 56 57.399 57.399 57.505 -0.106 19942 6051 1 12 . 1 1 56 56 SER CB C 56 63.633 63.633 64.659 -1.026 19942 6052 1 12 . 1 1 56 56 SER H H 56 7.851 7.851 8.208 -0.357 19942 6053 1 12 . 1 1 57 57 ASN N N 57 124.627 124.627 124.521 0.106 19942 6054 1 12 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.921 0.336 19942 6055 1 12 . 1 1 57 57 ASN C C 57 174.450 174.450 174.600 -0.150 19942 6056 1 12 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.276 1.112 19942 6057 1 12 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.413 1.117 19942 6058 1 12 . 1 1 57 57 ASN H H 57 9.190 9.190 8.505 0.684 19942 6059 1 12 . 1 1 58 58 ALA N N 58 127.007 127.007 126.710 0.297 19942 6060 1 12 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.680 -0.342 19942 6061 1 12 . 1 1 58 58 ALA C C 58 178.628 178.628 178.784 -0.156 19942 6062 1 12 . 1 1 58 58 ALA CA C 58 52.228 52.228 50.998 1.230 19942 6063 1 12 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.349 -1.439 19942 6064 1 12 . 1 1 58 58 ALA H H 58 8.121 8.121 8.651 -0.530 19942 6065 1 12 . 1 1 59 59 SER N N 59 116.407 116.407 114.799 1.608 19942 6066 1 12 . 1 1 59 59 SER HA H 59 4.888 4.888 4.229 0.659 19942 6067 1 12 . 1 1 59 59 SER C C 59 176.729 176.729 176.435 0.294 19942 6068 1 12 . 1 1 59 59 SER CA C 59 62.500 62.500 61.347 1.153 19942 6069 1 12 . 1 1 59 59 SER CB C 59 63.113 63.113 62.973 0.140 19942 6070 1 12 . 1 1 59 59 SER H H 59 8.767 8.767 8.892 -0.125 19942 6071 1 12 . 1 1 60 60 GLU N N 60 117.093 117.093 119.021 -1.928 19942 6072 1 12 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.370 -0.138 19942 6073 1 12 . 1 1 60 60 GLU C C 60 177.467 177.467 176.994 0.473 19942 6074 1 12 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.775 0.941 19942 6075 1 12 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.701 -0.090 19942 6076 1 12 . 1 1 60 60 GLU H H 60 9.190 9.190 8.750 0.440 19942 6077 1 12 . 1 1 61 61 THR N N 61 107.270 107.270 107.999 -0.729 19942 6078 1 12 . 1 1 61 61 THR HA H 61 4.820 4.820 4.573 0.247 19942 6079 1 12 . 1 1 61 61 THR C C 61 173.068 173.068 173.820 -0.752 19942 6080 1 12 . 1 1 61 61 THR CA C 61 59.191 59.191 60.256 -1.065 19942 6081 1 12 . 1 1 61 61 THR CB C 61 69.219 69.219 69.715 -0.496 19942 6082 1 12 . 1 1 61 61 THR H H 61 7.369 7.369 7.716 -0.347 19942 6083 1 12 . 1 1 62 62 LYS N N 62 122.917 122.917 123.547 -0.630 19942 6084 1 12 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.145 -0.459 19942 6085 1 12 . 1 1 62 62 LYS C C 62 178.225 178.225 176.882 1.343 19942 6086 1 12 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.926 0.195 19942 6087 1 12 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.489 0.801 19942 6088 1 12 . 1 1 62 62 LYS H H 62 6.924 6.924 7.334 -0.410 19942 6089 1 12 . 1 1 63 63 GLY N N 63 111.784 111.784 110.671 1.113 19942 6090 1 12 . 1 1 63 63 GLY C C 63 171.831 171.831 172.620 -0.789 19942 6091 1 12 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.444 -0.089 19942 6092 1 12 . 1 1 63 63 GLY H H 63 7.966 7.966 8.747 -0.781 19942 6093 1 12 . 1 1 64 64 LEU N N 64 120.854 120.854 121.317 -0.463 19942 6094 1 12 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.412 -0.352 19942 6095 1 12 . 1 1 64 64 LEU C C 64 176.666 176.666 174.213 2.453 19942 6096 1 12 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.685 1.878 19942 6097 1 12 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.430 -1.357 19942 6098 1 12 . 1 1 64 64 LEU H H 64 7.785 7.785 8.306 -0.521 19942 6099 1 12 . 1 1 65 65 VAL N N 65 135.184 135.184 126.527 8.657 19942 6100 1 12 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.381 0.255 19942 6101 1 12 . 1 1 65 65 VAL C C 65 174.956 174.956 174.399 0.557 19942 6102 1 12 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.858 0.465 19942 6103 1 12 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.614 -2.618 19942 6104 1 12 . 1 1 65 65 VAL H H 65 8.973 8.973 7.855 1.118 19942 6105 1 12 . 1 1 66 66 THR N N 66 121.955 121.955 122.220 -0.265 19942 6106 1 12 . 1 1 66 66 THR HA H 66 4.774 4.774 4.683 0.091 19942 6107 1 12 . 1 1 66 66 THR C C 66 174.266 174.266 173.537 0.729 19942 6108 1 12 . 1 1 66 66 THR CA C 66 61.225 61.225 61.283 -0.058 19942 6109 1 12 . 1 1 66 66 THR CB C 66 71.190 71.190 70.542 0.648 19942 6110 1 12 . 1 1 66 66 THR H H 66 8.947 8.947 8.146 0.801 19942 6111 1 12 . 1 1 67 67 GLY N N 67 114.304 114.304 113.608 0.696 19942 6112 1 12 . 1 1 67 67 GLY C C 67 172.326 172.326 174.231 -1.905 19942 6113 1 12 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.788 2.444 19942 6114 1 12 . 1 1 67 67 GLY H H 67 9.201 9.201 8.088 1.113 19942 6115 1 12 . 1 1 68 68 ILE N N 68 126.492 126.492 125.370 1.122 19942 6116 1 12 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.831 0.292 19942 6117 1 12 . 1 1 68 68 ILE C C 68 175.021 175.021 176.510 -1.489 19942 6118 1 12 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.542 -1.934 19942 6119 1 12 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.449 0.705 19942 6120 1 12 . 1 1 68 68 ILE H H 68 8.927 8.927 8.880 0.047 19942 6121 1 12 . 1 1 69 69 ALA N N 69 122.378 122.378 118.838 3.540 19942 6122 1 12 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.451 -0.056 19942 6123 1 12 . 1 1 69 69 ALA C C 69 174.111 174.111 175.389 -1.278 19942 6124 1 12 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.729 -0.870 19942 6125 1 12 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.954 2.103 19942 6126 1 12 . 1 1 69 69 ALA H H 69 8.413 8.413 7.545 0.868 19942 6127 1 12 . 1 1 70 70 SER N N 70 110.668 110.668 116.384 -5.716 19942 6128 1 12 . 1 1 70 70 SER HA H 70 4.013 4.013 4.513 -0.500 19942 6129 1 12 . 1 1 70 70 SER C C 70 174.180 174.180 173.725 0.455 19942 6130 1 12 . 1 1 70 70 SER CA C 70 58.620 58.620 58.022 0.598 19942 6131 1 12 . 1 1 70 70 SER CB C 70 64.114 64.114 63.839 0.275 19942 6132 1 12 . 1 1 70 70 SER H H 70 8.109 8.109 8.211 -0.102 19942 6133 1 12 . 1 1 71 71 GLY N N 71 108.506 108.506 107.554 0.952 19942 6134 1 12 . 1 1 71 71 GLY C C 71 170.868 170.868 173.565 -2.697 19942 6135 1 12 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.116 -0.773 19942 6136 1 12 . 1 1 71 71 GLY H H 71 8.055 8.055 8.722 -0.667 19942 6137 1 12 . 1 1 72 72 ASN N N 72 116.234 116.234 118.954 -2.720 19942 6138 1 12 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.400 -0.508 19942 6139 1 12 . 1 1 72 72 ASN C C 72 171.109 171.109 173.026 -1.917 19942 6140 1 12 . 1 1 72 72 ASN CA C 72 51.409 51.409 50.699 0.710 19942 6141 1 12 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.329 -0.357 19942 6142 1 12 . 1 1 72 72 ASN H H 72 8.238 8.238 8.330 -0.092 19942 6143 1 12 . 1 1 73 73 PRO C C 73 173.522 173.522 175.896 -2.374 19942 6144 1 12 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.907 0.415 19942 6145 1 12 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.781 -0.728 19942 6146 1 12 . 1 1 74 74 THR N N 74 115.192 115.192 118.198 -3.006 19942 6147 1 12 . 1 1 74 74 THR HA H 74 4.399 4.399 4.637 -0.238 19942 6148 1 12 . 1 1 74 74 THR C C 74 173.467 173.467 173.497 -0.030 19942 6149 1 12 . 1 1 74 74 THR CA C 74 61.852 61.852 62.182 -0.330 19942 6150 1 12 . 1 1 74 74 THR CB C 74 70.609 70.609 70.640 -0.031 19942 6151 1 12 . 1 1 74 74 THR H H 74 8.775 8.775 8.092 0.683 19942 6152 1 12 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.816 0.067 19942 6153 1 12 . 1 1 75 75 ILE CA C 75 61.787 61.787 59.761 2.026 19942 6154 1 12 . 1 1 75 75 ILE CB C 75 36.867 36.867 39.128 -2.261 19942 6155 1 12 . 1 1 76 76 ILE N N 76 126.694 126.694 127.807 -1.113 19942 6156 1 12 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.498 0.177 19942 6157 1 12 . 1 1 76 76 ILE C C 76 173.870 173.870 174.329 -0.459 19942 6158 1 12 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.915 0.628 19942 6159 1 12 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.753 0.167 19942 6160 1 12 . 1 1 76 76 ILE H H 76 8.982 8.982 8.358 0.624 19942 6161 1 12 . 1 1 77 77 ALA N N 77 126.455 126.455 130.538 -4.083 19942 6162 1 12 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.875 -0.376 19942 6163 1 12 . 1 1 77 77 ALA C C 77 175.857 175.857 176.059 -0.202 19942 6164 1 12 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.777 0.016 19942 6165 1 12 . 1 1 77 77 ALA CB C 77 21.672 21.672 20.616 1.056 19942 6166 1 12 . 1 1 77 77 ALA H H 77 8.431 8.431 8.679 -0.248 19942 6167 1 12 . 1 1 78 78 THR N N 78 116.767 116.767 121.781 -5.014 19942 6168 1 12 . 1 1 78 78 THR HA H 78 4.849 4.849 4.542 0.307 19942 6169 1 12 . 1 1 78 78 THR C C 78 173.211 173.211 172.519 0.692 19942 6170 1 12 . 1 1 78 78 THR CA C 78 61.343 61.343 62.026 -0.684 19942 6171 1 12 . 1 1 78 78 THR CB C 78 71.627 71.627 70.600 1.026 19942 6172 1 12 . 1 1 78 78 THR H H 78 8.135 8.135 8.250 -0.115 19942 6173 1 12 . 1 1 79 79 TYR N N 79 127.950 127.950 129.145 -1.195 19942 6174 1 12 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.702 -0.073 19942 6175 1 12 . 1 1 79 79 TYR C C 79 174.921 174.921 175.088 -0.167 19942 6176 1 12 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.760 0.747 19942 6177 1 12 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.776 -0.204 19942 6178 1 12 . 1 1 79 79 TYR H H 79 9.136 9.136 8.682 0.454 19942 6179 1 12 . 1 1 80 80 GLY N N 80 118.393 118.393 115.983 2.410 19942 6180 1 12 . 1 1 80 80 GLY C C 80 174.902 174.902 174.186 0.716 19942 6181 1 12 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.183 0.686 19942 6182 1 12 . 1 1 80 80 GLY H H 80 8.786 8.786 8.096 0.690 19942 6183 1 12 . 1 1 81 81 SER N N 81 113.872 113.872 118.864 -4.992 19942 6184 1 12 . 1 1 81 81 SER HA H 81 4.348 4.348 4.540 -0.192 19942 6185 1 12 . 1 1 81 81 SER C C 81 173.279 173.279 173.693 -0.414 19942 6186 1 12 . 1 1 81 81 SER CA C 81 58.658 58.658 59.080 -0.422 19942 6187 1 12 . 1 1 81 81 SER CB C 81 63.490 63.490 63.983 -0.493 19942 6188 1 12 . 1 1 81 81 SER H H 81 7.878 7.878 8.237 -0.359 19942 6189 1 12 . 1 1 82 82 VAL N N 82 124.320 124.320 123.885 0.435 19942 6190 1 12 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.313 -0.064 19942 6191 1 12 . 1 1 82 82 VAL C C 82 173.455 173.455 173.882 -0.427 19942 6192 1 12 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.925 -0.273 19942 6193 1 12 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.374 -0.908 19942 6194 1 12 . 1 1 82 82 VAL H H 82 7.845 7.845 7.805 0.040 19942 6195 1 12 . 1 1 83 83 SER N N 83 119.056 119.056 120.987 -1.931 19942 6196 1 12 . 1 1 83 83 SER HA H 83 5.507 5.507 5.122 0.385 19942 6197 1 12 . 1 1 83 83 SER C C 83 173.841 173.841 173.544 0.297 19942 6198 1 12 . 1 1 83 83 SER CA C 83 56.624 56.624 56.679 -0.055 19942 6199 1 12 . 1 1 83 83 SER CB C 83 66.733 66.733 66.652 0.081 19942 6200 1 12 . 1 1 83 83 SER H H 83 8.549 8.549 8.382 0.167 19942 6201 1 12 . 1 1 84 84 GLY N N 84 111.431 111.431 109.638 1.793 19942 6202 1 12 . 1 1 84 84 GLY C C 84 171.253 171.253 172.396 -1.143 19942 6203 1 12 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.423 -0.140 19942 6204 1 12 . 1 1 84 84 GLY H H 84 8.957 8.957 8.621 0.336 19942 6205 1 12 . 1 1 85 85 ASN N N 85 114.909 114.909 120.030 -5.121 19942 6206 1 12 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.095 0.804 19942 6207 1 12 . 1 1 85 85 ASN C C 85 174.553 174.553 174.949 -0.396 19942 6208 1 12 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.032 0.762 19942 6209 1 12 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.086 2.060 19942 6210 1 12 . 1 1 85 85 ASN H H 85 8.752 8.752 8.444 0.308 19942 6211 1 12 . 1 1 86 86 THR N N 86 114.501 114.501 114.352 0.149 19942 6212 1 12 . 1 1 86 86 THR HA H 86 4.677 4.677 4.591 0.086 19942 6213 1 12 . 1 1 86 86 THR C C 86 170.890 170.890 173.595 -2.705 19942 6214 1 12 . 1 1 86 86 THR CA C 86 61.715 61.715 60.760 0.955 19942 6215 1 12 . 1 1 86 86 THR CB C 86 70.636 70.636 70.619 0.017 19942 6216 1 12 . 1 1 86 86 THR H H 86 8.922 8.922 8.265 0.657 19942 6217 1 12 . 1 1 87 87 ILE N N 87 125.857 125.857 121.458 4.399 19942 6218 1 12 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.235 0.307 19942 6219 1 12 . 1 1 87 87 ILE C C 87 175.495 175.495 175.250 0.245 19942 6220 1 12 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.409 1.834 19942 6221 1 12 . 1 1 87 87 ILE CB C 87 39.423 39.423 37.475 1.948 19942 6222 1 12 . 1 1 87 87 ILE H H 87 8.020 8.020 8.260 -0.240 19942 6223 1 12 . 1 1 88 88 LEU N N 88 129.304 129.304 130.181 -0.877 19942 6224 1 12 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.691 -0.008 19942 6225 1 12 . 1 1 88 88 LEU C C 88 174.979 174.979 175.324 -0.345 19942 6226 1 12 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.749 -0.011 19942 6227 1 12 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.508 0.128 19942 6228 1 12 . 1 1 88 88 LEU H H 88 8.797 8.797 8.277 0.520 19942 6229 1 12 . 1 1 89 89 THR N N 89 117.751 117.751 122.895 -5.144 19942 6230 1 12 . 1 1 89 89 THR HA H 89 4.749 4.749 4.593 0.156 19942 6231 1 12 . 1 1 89 89 THR C C 89 173.269 173.269 173.408 -0.139 19942 6232 1 12 . 1 1 89 89 THR CA C 89 62.794 62.794 61.523 1.271 19942 6233 1 12 . 1 1 89 89 THR CB C 89 70.202 70.202 71.031 -0.829 19942 6234 1 12 . 1 1 89 89 THR H H 89 7.882 7.882 9.333 -1.451 19942 6235 1 12 . 1 1 90 90 VAL N N 90 127.485 127.485 126.172 1.313 19942 6236 1 12 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.049 0.788 19942 6237 1 12 . 1 1 90 90 VAL C C 90 176.460 176.460 174.789 1.671 19942 6238 1 12 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.226 -1.815 19942 6239 1 12 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.016 0.643 19942 6240 1 12 . 1 1 90 90 VAL H H 90 9.139 9.139 8.218 0.921 19942 6241 1 12 . 1 1 91 91 ASN N N 91 126.674 126.674 126.555 0.119 19942 6242 1 12 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.954 -0.115 19942 6243 1 12 . 1 1 91 91 ASN C C 91 174.311 174.311 173.745 0.566 19942 6244 1 12 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.860 0.919 19942 6245 1 12 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.244 -1.467 19942 6246 1 12 . 1 1 91 91 ASN H H 91 8.992 8.992 8.071 0.921 19942 6247 1 12 . 1 1 92 92 LYS N N 92 122.622 122.622 120.621 2.001 19942 6248 1 12 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.478 -0.060 19942 6249 1 12 . 1 1 92 92 LYS C C 92 176.757 176.757 177.319 -0.562 19942 6250 1 12 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.650 0.820 19942 6251 1 12 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.964 -0.662 19942 6252 1 12 . 1 1 92 92 LYS H H 92 8.556 8.556 8.604 -0.048 19942 6253 1 12 . 1 1 93 93 THR N N 93 119.358 119.358 115.894 3.464 19942 6254 1 12 . 1 1 93 93 THR HA H 93 4.315 4.315 4.453 -0.138 19942 6255 1 12 . 1 1 93 93 THR C C 93 174.018 174.018 174.099 -0.081 19942 6256 1 12 . 1 1 93 93 THR CA C 93 62.060 62.060 61.258 0.802 19942 6257 1 12 . 1 1 93 93 THR CB C 93 69.715 69.715 67.767 1.948 19942 6258 1 12 . 1 1 93 93 THR H H 93 8.439 8.439 8.710 -0.271 19942 6259 1 12 . 1 1 94 94 ASP N N 94 124.142 124.142 122.563 1.579 19942 6260 1 12 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.306 0.359 19942 6261 1 12 . 1 1 94 94 ASP C C 94 175.464 175.464 175.807 -0.343 19942 6262 1 12 . 1 1 94 94 ASP CA C 94 54.515 54.515 55.505 -0.990 19942 6263 1 12 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.225 0.892 19942 6264 1 12 . 1 1 94 94 ASP H H 94 8.583 8.583 8.275 0.308 19942 6265 1 13 . 1 1 3 3 ALA N N 3 123.810 123.810 123.915 -0.105 19942 6266 1 13 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.178 0.031 19942 6267 1 13 . 1 1 3 3 ALA C C 3 177.476 177.476 176.918 0.558 19942 6268 1 13 . 1 1 3 3 ALA CA C 3 52.450 52.450 53.181 -0.731 19942 6269 1 13 . 1 1 3 3 ALA CB C 3 19.517 19.517 18.826 0.691 19942 6270 1 13 . 1 1 3 3 ALA H H 3 8.387 8.387 8.516 -0.129 19942 6271 1 13 . 1 1 4 4 THR N N 4 113.060 113.060 111.219 1.841 19942 6272 1 13 . 1 1 4 4 THR HA H 4 4.621 4.621 4.697 -0.076 19942 6273 1 13 . 1 1 4 4 THR C C 4 174.426 174.426 173.506 0.920 19942 6274 1 13 . 1 1 4 4 THR CA C 4 60.020 60.020 60.425 -0.405 19942 6275 1 13 . 1 1 4 4 THR CB C 4 71.041 71.041 71.683 -0.642 19942 6276 1 13 . 1 1 4 4 THR H H 4 8.593 8.593 8.486 0.107 19942 6277 1 13 . 1 1 5 5 LEU N N 5 125.889 125.889 123.226 2.663 19942 6278 1 13 . 1 1 5 5 LEU HA H 5 3.436 3.436 3.995 -0.559 19942 6279 1 13 . 1 1 5 5 LEU C C 5 175.432 175.432 176.762 -1.330 19942 6280 1 13 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.227 0.964 19942 6281 1 13 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.735 -0.476 19942 6282 1 13 . 1 1 5 5 LEU H H 5 8.888 8.888 8.510 0.378 19942 6283 1 13 . 1 1 6 6 SER N N 6 123.564 123.564 123.855 -0.291 19942 6284 1 13 . 1 1 6 6 SER HA H 6 4.574 4.574 4.330 0.244 19942 6285 1 13 . 1 1 6 6 SER C C 6 174.217 174.217 174.439 -0.222 19942 6286 1 13 . 1 1 6 6 SER CA C 6 59.688 59.688 60.102 -0.414 19942 6287 1 13 . 1 1 6 6 SER CB C 6 64.300 64.300 63.770 0.531 19942 6288 1 13 . 1 1 6 6 SER H H 6 9.155 9.155 8.887 0.268 19942 6289 1 13 . 1 1 7 7 SER N N 7 112.212 112.212 113.980 -1.768 19942 6290 1 13 . 1 1 7 7 SER HA H 7 4.499 4.499 4.688 -0.189 19942 6291 1 13 . 1 1 7 7 SER C C 7 171.592 171.592 172.299 -0.707 19942 6292 1 13 . 1 1 7 7 SER CA C 7 57.676 57.676 57.549 0.127 19942 6293 1 13 . 1 1 7 7 SER CB C 7 64.795 64.795 65.471 -0.676 19942 6294 1 13 . 1 1 7 7 SER H H 7 7.913 7.913 7.663 0.250 19942 6295 1 13 . 1 1 8 8 ILE N N 8 120.132 120.132 120.809 -0.677 19942 6296 1 13 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.363 0.298 19942 6297 1 13 . 1 1 8 8 ILE C C 8 174.094 174.094 174.546 -0.452 19942 6298 1 13 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.007 0.310 19942 6299 1 13 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.930 1.996 19942 6300 1 13 . 1 1 8 8 ILE H H 8 8.628 8.628 8.216 0.412 19942 6301 1 13 . 1 1 9 9 SER N N 9 120.939 120.939 123.934 -2.995 19942 6302 1 13 . 1 1 9 9 SER HA H 9 4.907 4.907 4.877 0.030 19942 6303 1 13 . 1 1 9 9 SER C C 9 173.176 173.176 172.910 0.266 19942 6304 1 13 . 1 1 9 9 SER CA C 9 56.291 56.291 56.608 -0.317 19942 6305 1 13 . 1 1 9 9 SER CB C 9 65.325 65.325 65.762 -0.437 19942 6306 1 13 . 1 1 9 9 SER H H 9 8.761 8.761 8.925 -0.164 19942 6307 1 13 . 1 1 10 10 ILE N N 10 126.047 126.047 125.134 0.913 19942 6308 1 13 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.376 1.101 19942 6309 1 13 . 1 1 10 10 ILE C C 10 175.259 175.259 175.774 -0.515 19942 6310 1 13 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.832 -1.740 19942 6311 1 13 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.958 -0.116 19942 6312 1 13 . 1 1 10 10 ILE H H 10 8.852 8.852 8.547 0.305 19942 6313 1 13 . 1 1 11 11 SER N N 11 122.938 122.938 123.633 -0.695 19942 6314 1 13 . 1 1 11 11 SER HA H 11 4.704 4.704 4.957 -0.253 19942 6315 1 13 . 1 1 11 11 SER C C 11 170.288 170.288 173.346 -3.058 19942 6316 1 13 . 1 1 11 11 SER CA C 11 55.401 55.401 56.401 -1.000 19942 6317 1 13 . 1 1 11 11 SER CB C 11 65.248 65.248 63.943 1.305 19942 6318 1 13 . 1 1 11 11 SER H H 11 9.108 9.108 8.884 0.224 19942 6319 1 13 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.420 0.277 19942 6320 1 13 . 1 1 12 12 PRO C C 12 175.467 175.467 175.600 -0.133 19942 6321 1 13 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.678 -2.222 19942 6322 1 13 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.226 2.680 19942 6323 1 13 . 1 1 13 13 ILE N N 13 118.003 118.003 119.004 -1.001 19942 6324 1 13 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.176 0.175 19942 6325 1 13 . 1 1 13 13 ILE C C 13 176.535 176.535 175.412 1.123 19942 6326 1 13 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.746 0.346 19942 6327 1 13 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.647 0.587 19942 6328 1 13 . 1 1 13 13 ILE H H 13 8.233 8.233 8.235 -0.002 19942 6329 1 13 . 1 1 14 14 ASN N N 14 122.727 122.727 125.158 -2.431 19942 6330 1 13 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.452 0.324 19942 6331 1 13 . 1 1 14 14 ASN C C 14 175.286 175.286 173.902 1.384 19942 6332 1 13 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.656 -1.070 19942 6333 1 13 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.072 -0.576 19942 6334 1 13 . 1 1 14 14 ASN H H 14 8.501 8.501 8.469 0.032 19942 6335 1 13 . 1 1 15 15 THR N N 15 114.899 114.899 111.084 3.815 19942 6336 1 13 . 1 1 15 15 THR HA H 15 4.587 4.587 4.414 0.173 19942 6337 1 13 . 1 1 15 15 THR C C 15 173.339 173.339 172.957 0.382 19942 6338 1 13 . 1 1 15 15 THR CA C 15 61.059 61.059 61.519 -0.460 19942 6339 1 13 . 1 1 15 15 THR CB C 15 69.683 69.683 69.948 -0.265 19942 6340 1 13 . 1 1 15 15 THR H H 15 8.878 8.878 8.212 0.666 19942 6341 1 13 . 1 1 16 16 ASN N N 16 119.994 119.994 122.576 -2.582 19942 6342 1 13 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.811 0.003 19942 6343 1 13 . 1 1 16 16 ASN C C 16 173.995 173.995 173.701 0.294 19942 6344 1 13 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.389 -0.003 19942 6345 1 13 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.464 -1.085 19942 6346 1 13 . 1 1 16 16 ASN H H 16 8.293 8.293 8.119 0.174 19942 6347 1 13 . 1 1 17 17 ILE N N 17 118.356 118.356 121.472 -3.116 19942 6348 1 13 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.258 0.465 19942 6349 1 13 . 1 1 17 17 ILE C C 17 173.556 173.556 173.968 -0.412 19942 6350 1 13 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.272 -0.781 19942 6351 1 13 . 1 1 17 17 ILE CB C 17 42.437 42.437 42.013 0.424 19942 6352 1 13 . 1 1 17 17 ILE H H 17 8.962 8.962 8.206 0.756 19942 6353 1 13 . 1 1 18 18 ASN N N 18 122.798 122.798 122.692 0.106 19942 6354 1 13 . 1 1 18 18 ASN HA H 18 5.539 5.539 5.009 0.530 19942 6355 1 13 . 1 1 18 18 ASN C C 18 176.607 176.607 175.294 1.313 19942 6356 1 13 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.543 -0.251 19942 6357 1 13 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.383 -1.040 19942 6358 1 13 . 1 1 18 18 ASN H H 18 8.404 8.404 8.502 -0.098 19942 6359 1 13 . 1 1 19 19 THR C C 19 175.737 175.737 174.857 0.880 19942 6360 1 13 . 1 1 19 19 THR CA C 19 62.695 62.695 63.856 -1.161 19942 6361 1 13 . 1 1 19 19 THR CB C 19 68.758 68.758 68.401 0.357 19942 6362 1 13 . 1 1 20 20 THR N N 20 113.750 113.750 114.774 -1.024 19942 6363 1 13 . 1 1 20 20 THR HA H 20 4.281 4.281 3.952 0.329 19942 6364 1 13 . 1 1 20 20 THR C C 20 173.630 173.630 173.189 0.441 19942 6365 1 13 . 1 1 20 20 THR CA C 20 64.559 64.559 63.330 1.229 19942 6366 1 13 . 1 1 20 20 THR CB C 20 69.925 69.925 67.692 2.233 19942 6367 1 13 . 1 1 20 20 THR H H 20 8.400 8.400 8.453 -0.053 19942 6368 1 13 . 1 1 21 21 VAL N N 21 124.237 124.237 120.953 3.284 19942 6369 1 13 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.296 -0.048 19942 6370 1 13 . 1 1 21 21 VAL C C 21 175.464 175.464 175.121 0.343 19942 6371 1 13 . 1 1 21 21 VAL CA C 21 62.273 62.273 61.163 1.111 19942 6372 1 13 . 1 1 21 21 VAL H H 21 7.953 7.953 7.745 0.208 19942 6373 1 13 . 1 1 22 22 SER HA H 22 5.542 5.542 4.966 0.576 19942 6374 1 13 . 1 1 22 22 SER C C 22 173.145 173.145 173.498 -0.353 19942 6375 1 13 . 1 1 22 22 SER CA C 22 58.153 58.153 57.730 0.423 19942 6376 1 13 . 1 1 22 22 SER CB C 22 64.768 64.768 63.936 0.832 19942 6377 1 13 . 1 1 23 23 LYS N N 23 124.177 124.177 126.590 -2.413 19942 6378 1 13 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.409 0.101 19942 6379 1 13 . 1 1 23 23 LYS C C 23 173.847 173.847 174.247 -0.400 19942 6380 1 13 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.920 0.031 19942 6381 1 13 . 1 1 23 23 LYS CB C 23 36.916 36.916 34.953 1.963 19942 6382 1 13 . 1 1 23 23 LYS H H 23 9.372 9.372 7.868 1.504 19942 6383 1 13 . 1 1 24 24 GLN N N 24 128.777 128.777 125.212 3.565 19942 6384 1 13 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.357 -0.673 19942 6385 1 13 . 1 1 24 24 GLN C C 24 173.229 173.229 174.142 -0.913 19942 6386 1 13 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.916 2.212 19942 6387 1 13 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.190 -1.672 19942 6388 1 13 . 1 1 24 24 GLN H H 24 8.742 8.742 8.278 0.464 19942 6389 1 13 . 1 1 25 25 PHE N N 25 128.481 128.481 119.038 9.443 19942 6390 1 13 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.708 0.297 19942 6391 1 13 . 1 1 25 25 PHE C C 25 174.268 174.268 173.496 0.772 19942 6392 1 13 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.323 2.035 19942 6393 1 13 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.599 0.234 19942 6394 1 13 . 1 1 25 25 PHE H H 25 7.728 7.728 6.485 1.243 19942 6395 1 13 . 1 1 26 26 PHE N N 26 114.641 114.641 118.498 -3.857 19942 6396 1 13 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.093 0.434 19942 6397 1 13 . 1 1 26 26 PHE C C 26 175.679 175.679 175.237 0.442 19942 6398 1 13 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.729 0.422 19942 6399 1 13 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.303 0.434 19942 6400 1 13 . 1 1 26 26 PHE H H 26 9.354 9.354 7.803 1.551 19942 6401 1 13 . 1 1 27 27 ALA N N 27 123.352 123.352 124.115 -0.763 19942 6402 1 13 . 1 1 27 27 ALA HA H 27 5.205 5.205 4.983 0.222 19942 6403 1 13 . 1 1 27 27 ALA C C 27 174.966 174.966 175.475 -0.509 19942 6404 1 13 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.743 -0.797 19942 6405 1 13 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.516 0.374 19942 6406 1 13 . 1 1 27 27 ALA H H 27 8.935 8.935 9.363 -0.428 19942 6407 1 13 . 1 1 28 28 VAL N N 28 122.875 122.875 124.328 -1.453 19942 6408 1 13 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.943 -0.276 19942 6409 1 13 . 1 1 28 28 VAL C C 28 177.371 177.371 175.239 2.132 19942 6410 1 13 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.549 0.665 19942 6411 1 13 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.581 -0.286 19942 6412 1 13 . 1 1 28 28 VAL H H 28 8.933 8.933 8.559 0.374 19942 6413 1 13 . 1 1 29 29 GLY N N 29 118.628 118.628 113.813 4.815 19942 6414 1 13 . 1 1 29 29 GLY C C 29 171.637 171.637 172.206 -0.569 19942 6415 1 13 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.347 1.709 19942 6416 1 13 . 1 1 29 29 GLY H H 29 9.852 9.852 8.519 1.333 19942 6417 1 13 . 1 1 30 30 THR N N 30 119.749 119.749 119.861 -0.112 19942 6418 1 13 . 1 1 30 30 THR HA H 30 5.033 5.033 5.185 -0.152 19942 6419 1 13 . 1 1 30 30 THR C C 30 173.854 173.854 173.638 0.216 19942 6420 1 13 . 1 1 30 30 THR CA C 30 62.384 62.384 61.495 0.888 19942 6421 1 13 . 1 1 30 30 THR CB C 30 69.631 69.631 71.086 -1.455 19942 6422 1 13 . 1 1 30 30 THR H H 30 8.632 8.632 7.917 0.715 19942 6423 1 13 . 1 1 31 31 TYR N N 31 126.778 126.778 127.021 -0.243 19942 6424 1 13 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.991 0.028 19942 6425 1 13 . 1 1 31 31 TYR C C 31 179.438 179.438 178.241 1.197 19942 6426 1 13 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.677 0.335 19942 6427 1 13 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.801 1.069 19942 6428 1 13 . 1 1 31 31 TYR H H 31 9.411 9.411 9.388 0.023 19942 6429 1 13 . 1 1 32 32 SER N N 32 118.249 118.249 118.432 -0.183 19942 6430 1 13 . 1 1 32 32 SER HA H 32 4.112 4.112 4.200 -0.088 19942 6431 1 13 . 1 1 32 32 SER C C 32 174.175 174.175 174.981 -0.806 19942 6432 1 13 . 1 1 32 32 SER CA C 32 61.407 61.407 61.071 0.336 19942 6433 1 13 . 1 1 32 32 SER CB C 32 62.779 62.779 62.873 -0.094 19942 6434 1 13 . 1 1 32 32 SER H H 32 9.767 9.767 8.554 1.213 19942 6435 1 13 . 1 1 33 33 ASP N N 33 119.614 119.614 120.224 -0.610 19942 6436 1 13 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.738 -0.004 19942 6437 1 13 . 1 1 33 33 ASP C C 33 177.097 177.097 177.033 0.064 19942 6438 1 13 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.169 -1.493 19942 6439 1 13 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.102 0.418 19942 6440 1 13 . 1 1 33 33 ASP H H 33 7.702 7.702 7.878 -0.176 19942 6441 1 13 . 1 1 34 34 GLY N N 34 108.749 108.749 107.809 0.940 19942 6442 1 13 . 1 1 34 34 GLY C C 34 174.828 174.828 174.578 0.250 19942 6443 1 13 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.663 -0.370 19942 6444 1 13 . 1 1 34 34 GLY H H 34 8.420 8.420 8.404 0.016 19942 6445 1 13 . 1 1 35 35 THR N N 35 113.544 113.544 117.323 -3.779 19942 6446 1 13 . 1 1 35 35 THR HA H 35 4.297 4.297 4.380 -0.083 19942 6447 1 13 . 1 1 35 35 THR C C 35 173.074 173.074 173.638 -0.564 19942 6448 1 13 . 1 1 35 35 THR CA C 35 62.762 62.762 63.496 -0.734 19942 6449 1 13 . 1 1 35 35 THR CB C 35 71.079 71.079 69.803 1.276 19942 6450 1 13 . 1 1 35 35 THR H H 35 7.863 7.863 7.795 0.068 19942 6451 1 13 . 1 1 36 36 LYS N N 36 118.248 118.248 124.962 -6.714 19942 6452 1 13 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.505 0.422 19942 6453 1 13 . 1 1 36 36 LYS C C 36 176.847 176.847 175.481 1.366 19942 6454 1 13 . 1 1 36 36 LYS CA C 36 54.531 54.531 54.993 -0.462 19942 6455 1 13 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.928 0.995 19942 6456 1 13 . 1 1 36 36 LYS H H 36 8.374 8.374 8.592 -0.218 19942 6457 1 13 . 1 1 37 37 ALA N N 37 121.621 121.621 124.959 -3.338 19942 6458 1 13 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.637 0.031 19942 6459 1 13 . 1 1 37 37 ALA C C 37 175.556 175.556 174.716 0.840 19942 6460 1 13 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.517 -0.140 19942 6461 1 13 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.878 1.659 19942 6462 1 13 . 1 1 37 37 ALA H H 37 8.892 8.892 8.475 0.417 19942 6463 1 13 . 1 1 38 38 ASP N N 38 121.602 121.602 120.129 1.473 19942 6464 1 13 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.993 -0.133 19942 6465 1 13 . 1 1 38 38 ASP C C 38 176.487 176.487 175.985 0.502 19942 6466 1 13 . 1 1 38 38 ASP CA C 38 55.234 55.234 53.677 1.557 19942 6467 1 13 . 1 1 38 38 ASP CB C 38 40.775 40.775 40.840 -0.065 19942 6468 1 13 . 1 1 38 38 ASP H H 38 8.983 8.983 8.435 0.548 19942 6469 1 13 . 1 1 39 39 LEU N N 39 128.342 128.342 122.825 5.517 19942 6470 1 13 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.734 0.127 19942 6471 1 13 . 1 1 39 39 LEU C C 39 177.565 177.565 177.654 -0.089 19942 6472 1 13 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.118 -0.528 19942 6473 1 13 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.835 2.098 19942 6474 1 13 . 1 1 39 39 LEU H H 39 9.218 9.218 8.623 0.595 19942 6475 1 13 . 1 1 40 40 THR N N 40 122.567 122.567 116.730 5.837 19942 6476 1 13 . 1 1 40 40 THR HA H 40 4.526 4.526 4.500 0.026 19942 6477 1 13 . 1 1 40 40 THR C C 40 174.562 174.562 176.220 -1.658 19942 6478 1 13 . 1 1 40 40 THR CA C 40 69.870 69.870 66.961 2.909 19942 6479 1 13 . 1 1 40 40 THR CB C 40 69.268 69.268 68.622 0.646 19942 6480 1 13 . 1 1 40 40 THR H H 40 8.983 8.983 8.486 0.497 19942 6481 1 13 . 1 1 41 41 SER N N 41 109.895 109.895 112.543 -2.648 19942 6482 1 13 . 1 1 41 41 SER HA H 41 4.465 4.465 4.590 -0.125 19942 6483 1 13 . 1 1 41 41 SER C C 41 174.686 174.686 174.987 -0.301 19942 6484 1 13 . 1 1 41 41 SER CA C 41 59.960 59.960 59.189 0.771 19942 6485 1 13 . 1 1 41 41 SER CB C 41 63.643 63.643 63.209 0.435 19942 6486 1 13 . 1 1 41 41 SER H H 41 8.749 8.749 8.602 0.147 19942 6487 1 13 . 1 1 42 42 SER N N 42 117.037 117.037 116.241 0.796 19942 6488 1 13 . 1 1 42 42 SER HA H 42 4.706 4.706 4.741 -0.035 19942 6489 1 13 . 1 1 42 42 SER C C 42 175.240 175.240 174.865 0.375 19942 6490 1 13 . 1 1 42 42 SER CA C 42 59.742 59.742 58.923 0.819 19942 6491 1 13 . 1 1 42 42 SER CB C 42 64.724 64.724 64.769 -0.045 19942 6492 1 13 . 1 1 42 42 SER H H 42 8.056 8.056 7.857 0.199 19942 6493 1 13 . 1 1 43 43 VAL N N 43 113.914 113.914 120.200 -6.286 19942 6494 1 13 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.900 -0.588 19942 6495 1 13 . 1 1 43 43 VAL C C 43 174.501 174.501 175.122 -0.621 19942 6496 1 13 . 1 1 43 43 VAL CA C 43 61.072 61.072 59.885 1.187 19942 6497 1 13 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.174 0.224 19942 6498 1 13 . 1 1 43 43 VAL H H 43 7.498 7.498 8.223 -0.725 19942 6499 1 13 . 1 1 44 44 THR N N 44 116.194 116.194 121.565 -5.371 19942 6500 1 13 . 1 1 44 44 THR HA H 44 4.515 4.515 4.700 -0.185 19942 6501 1 13 . 1 1 44 44 THR C C 44 175.110 175.110 174.116 0.994 19942 6502 1 13 . 1 1 44 44 THR CA C 44 62.468 62.468 62.452 0.016 19942 6503 1 13 . 1 1 44 44 THR CB C 44 69.914 69.914 69.715 0.200 19942 6504 1 13 . 1 1 44 44 THR H H 44 9.020 9.020 7.943 1.077 19942 6505 1 13 . 1 1 45 45 TRP N N 45 133.716 133.716 128.520 5.196 19942 6506 1 13 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.732 0.652 19942 6507 1 13 . 1 1 45 45 TRP C C 45 176.565 176.565 176.186 0.379 19942 6508 1 13 . 1 1 45 45 TRP CA C 45 56.734 56.734 57.145 -0.411 19942 6509 1 13 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.042 1.453 19942 6510 1 13 . 1 1 45 45 TRP H H 45 9.667 9.667 8.831 0.836 19942 6511 1 13 . 1 1 46 46 SER N N 46 117.142 117.142 118.753 -1.611 19942 6512 1 13 . 1 1 46 46 SER HA H 46 4.620 4.620 4.864 -0.244 19942 6513 1 13 . 1 1 46 46 SER C C 46 171.333 171.333 172.676 -1.343 19942 6514 1 13 . 1 1 46 46 SER CA C 46 58.013 58.013 57.708 0.305 19942 6515 1 13 . 1 1 46 46 SER CB C 46 65.605 65.605 66.898 -1.293 19942 6516 1 13 . 1 1 46 46 SER H H 46 10.001 10.001 8.289 1.712 19942 6517 1 13 . 1 1 47 47 SER N N 47 112.791 112.791 115.709 -2.918 19942 6518 1 13 . 1 1 47 47 SER HA H 47 5.530 5.530 5.261 0.269 19942 6519 1 13 . 1 1 47 47 SER C C 47 176.141 176.141 175.557 0.584 19942 6520 1 13 . 1 1 47 47 SER CA C 47 53.591 53.591 55.637 -2.046 19942 6521 1 13 . 1 1 47 47 SER CB C 47 66.167 66.167 65.134 1.033 19942 6522 1 13 . 1 1 47 47 SER H H 47 8.594 8.594 8.437 0.157 19942 6523 1 13 . 1 1 48 48 SER N N 48 122.562 122.562 120.442 2.120 19942 6524 1 13 . 1 1 48 48 SER HA H 48 4.289 4.289 4.328 -0.039 19942 6525 1 13 . 1 1 48 48 SER C C 48 174.767 174.767 175.928 -1.161 19942 6526 1 13 . 1 1 48 48 SER CA C 48 60.419 60.419 60.536 -0.117 19942 6527 1 13 . 1 1 48 48 SER CB C 48 62.630 62.630 63.523 -0.893 19942 6528 1 13 . 1 1 48 48 SER H H 48 9.685 9.685 8.533 1.152 19942 6529 1 13 . 1 1 49 49 ASN N N 49 118.253 118.253 121.609 -3.356 19942 6530 1 13 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.781 -0.048 19942 6531 1 13 . 1 1 49 49 ASN C C 49 175.845 175.845 174.841 1.004 19942 6532 1 13 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.265 0.301 19942 6533 1 13 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.608 0.476 19942 6534 1 13 . 1 1 49 49 ASN H H 49 8.006 8.006 7.880 0.126 19942 6535 1 13 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.310 0.234 19942 6536 1 13 . 1 1 50 50 GLN C C 50 175.944 175.944 176.995 -1.051 19942 6537 1 13 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.417 -0.955 19942 6538 1 13 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.167 -0.254 19942 6539 1 13 . 1 1 51 51 SER N N 51 113.229 113.229 114.062 -0.833 19942 6540 1 13 . 1 1 51 51 SER HA H 51 4.302 4.302 4.361 -0.059 19942 6541 1 13 . 1 1 51 51 SER C C 51 173.524 173.524 175.897 -2.373 19942 6542 1 13 . 1 1 51 51 SER CA C 51 59.973 59.973 60.604 -0.631 19942 6543 1 13 . 1 1 51 51 SER CB C 51 62.832 62.832 63.529 -0.697 19942 6544 1 13 . 1 1 51 51 SER H H 51 8.205 8.205 8.454 -0.249 19942 6545 1 13 . 1 1 52 52 GLN N N 52 116.510 116.510 118.602 -2.092 19942 6546 1 13 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.433 0.125 19942 6547 1 13 . 1 1 52 52 GLN C C 52 176.697 176.697 173.835 2.862 19942 6548 1 13 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.583 0.533 19942 6549 1 13 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.658 -0.074 19942 6550 1 13 . 1 1 52 52 GLN H H 52 7.277 7.277 8.040 -0.763 19942 6551 1 13 . 1 1 53 53 ALA N N 53 119.325 119.325 119.210 0.115 19942 6552 1 13 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.742 0.166 19942 6553 1 13 . 1 1 53 53 ALA C C 53 174.225 174.225 174.858 -0.633 19942 6554 1 13 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.303 1.075 19942 6555 1 13 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.350 -0.254 19942 6556 1 13 . 1 1 53 53 ALA H H 53 8.150 8.150 7.158 0.992 19942 6557 1 13 . 1 1 54 54 LYS N N 54 120.764 120.764 120.482 0.282 19942 6558 1 13 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.820 0.089 19942 6559 1 13 . 1 1 54 54 LYS C C 54 173.892 173.892 174.335 -0.443 19942 6560 1 13 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.108 -1.346 19942 6561 1 13 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.203 -0.095 19942 6562 1 13 . 1 1 54 54 LYS H H 54 8.397 8.397 8.162 0.235 19942 6563 1 13 . 1 1 55 55 VAL N N 55 118.409 118.409 123.134 -4.725 19942 6564 1 13 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.375 0.558 19942 6565 1 13 . 1 1 55 55 VAL C C 55 172.770 172.770 174.896 -2.126 19942 6566 1 13 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.459 -3.389 19942 6567 1 13 . 1 1 55 55 VAL CB C 55 34.874 34.874 33.293 1.581 19942 6568 1 13 . 1 1 55 55 VAL H H 55 8.748 8.748 8.477 0.271 19942 6569 1 13 . 1 1 56 56 SER N N 56 119.976 119.976 124.968 -4.992 19942 6570 1 13 . 1 1 56 56 SER HA H 56 4.364 4.364 4.730 -0.366 19942 6571 1 13 . 1 1 56 56 SER C C 56 174.635 174.635 172.897 1.738 19942 6572 1 13 . 1 1 56 56 SER CA C 56 57.399 57.399 57.844 -0.445 19942 6573 1 13 . 1 1 56 56 SER CB C 56 63.633 63.633 63.684 -0.051 19942 6574 1 13 . 1 1 56 56 SER H H 56 7.851 7.851 8.671 -0.820 19942 6575 1 13 . 1 1 57 57 ASN N N 57 124.627 124.627 123.955 0.672 19942 6576 1 13 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.939 0.318 19942 6577 1 13 . 1 1 57 57 ASN C C 57 174.450 174.450 173.977 0.473 19942 6578 1 13 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.418 0.970 19942 6579 1 13 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.096 1.434 19942 6580 1 13 . 1 1 57 57 ASN H H 57 9.190 9.190 8.360 0.830 19942 6581 1 13 . 1 1 58 58 ALA N N 58 127.007 127.007 124.544 2.463 19942 6582 1 13 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.599 -0.261 19942 6583 1 13 . 1 1 58 58 ALA C C 58 178.628 178.628 177.920 0.708 19942 6584 1 13 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.230 0.998 19942 6585 1 13 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.342 -1.432 19942 6586 1 13 . 1 1 58 58 ALA H H 58 8.121 8.121 8.508 -0.387 19942 6587 1 13 . 1 1 59 59 SER N N 59 116.407 116.407 113.337 3.070 19942 6588 1 13 . 1 1 59 59 SER HA H 59 4.888 4.888 4.199 0.689 19942 6589 1 13 . 1 1 59 59 SER C C 59 176.729 176.729 175.672 1.057 19942 6590 1 13 . 1 1 59 59 SER CA C 59 62.500 62.500 60.955 1.545 19942 6591 1 13 . 1 1 59 59 SER CB C 59 63.113 63.113 63.278 -0.165 19942 6592 1 13 . 1 1 59 59 SER H H 59 8.767 8.767 8.636 0.131 19942 6593 1 13 . 1 1 60 60 GLU N N 60 117.093 117.093 118.581 -1.488 19942 6594 1 13 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.298 -0.066 19942 6595 1 13 . 1 1 60 60 GLU C C 60 177.467 177.467 177.412 0.055 19942 6596 1 13 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.247 1.469 19942 6597 1 13 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.936 -0.325 19942 6598 1 13 . 1 1 60 60 GLU H H 60 9.190 9.190 8.531 0.659 19942 6599 1 13 . 1 1 61 61 THR N N 61 107.270 107.270 109.467 -2.197 19942 6600 1 13 . 1 1 61 61 THR HA H 61 4.820 4.820 4.475 0.345 19942 6601 1 13 . 1 1 61 61 THR C C 61 173.068 173.068 174.982 -1.914 19942 6602 1 13 . 1 1 61 61 THR CA C 61 59.191 59.191 60.795 -1.604 19942 6603 1 13 . 1 1 61 61 THR CB C 61 69.219 69.219 69.863 -0.644 19942 6604 1 13 . 1 1 61 61 THR H H 61 7.369 7.369 7.601 -0.232 19942 6605 1 13 . 1 1 62 62 LYS N N 62 122.917 122.917 122.982 -0.065 19942 6606 1 13 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.154 -0.468 19942 6607 1 13 . 1 1 62 62 LYS C C 62 178.225 178.225 177.068 1.157 19942 6608 1 13 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.141 -0.020 19942 6609 1 13 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.546 0.744 19942 6610 1 13 . 1 1 62 62 LYS H H 62 6.924 6.924 7.782 -0.858 19942 6611 1 13 . 1 1 63 63 GLY N N 63 111.784 111.784 109.401 2.383 19942 6612 1 13 . 1 1 63 63 GLY C C 63 171.831 171.831 172.134 -0.303 19942 6613 1 13 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.267 0.088 19942 6614 1 13 . 1 1 63 63 GLY H H 63 7.966 7.966 8.551 -0.585 19942 6615 1 13 . 1 1 64 64 LEU N N 64 120.854 120.854 120.868 -0.014 19942 6616 1 13 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.316 -0.256 19942 6617 1 13 . 1 1 64 64 LEU C C 64 176.666 176.666 174.486 2.180 19942 6618 1 13 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.787 1.776 19942 6619 1 13 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.089 -1.016 19942 6620 1 13 . 1 1 64 64 LEU H H 64 7.785 7.785 7.604 0.181 19942 6621 1 13 . 1 1 65 65 VAL N N 65 135.184 135.184 126.205 8.979 19942 6622 1 13 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.359 0.277 19942 6623 1 13 . 1 1 65 65 VAL C C 65 174.956 174.956 174.503 0.453 19942 6624 1 13 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.068 0.255 19942 6625 1 13 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.495 -2.498 19942 6626 1 13 . 1 1 65 65 VAL H H 65 8.973 8.973 7.785 1.188 19942 6627 1 13 . 1 1 66 66 THR N N 66 121.955 121.955 118.027 3.928 19942 6628 1 13 . 1 1 66 66 THR HA H 66 4.774 4.774 4.687 0.087 19942 6629 1 13 . 1 1 66 66 THR C C 66 174.266 174.266 173.942 0.324 19942 6630 1 13 . 1 1 66 66 THR CA C 66 61.225 61.225 60.314 0.911 19942 6631 1 13 . 1 1 66 66 THR CB C 66 71.190 71.190 70.515 0.675 19942 6632 1 13 . 1 1 66 66 THR H H 66 8.947 8.947 8.410 0.537 19942 6633 1 13 . 1 1 67 67 GLY N N 67 114.304 114.304 114.381 -0.077 19942 6634 1 13 . 1 1 67 67 GLY C C 67 172.326 172.326 174.539 -2.213 19942 6635 1 13 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.876 2.356 19942 6636 1 13 . 1 1 67 67 GLY H H 67 9.201 9.201 8.230 0.971 19942 6637 1 13 . 1 1 68 68 ILE N N 68 126.492 126.492 125.613 0.879 19942 6638 1 13 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.977 0.146 19942 6639 1 13 . 1 1 68 68 ILE C C 68 175.021 175.021 176.114 -1.093 19942 6640 1 13 . 1 1 68 68 ILE CA C 68 61.608 61.608 61.014 0.594 19942 6641 1 13 . 1 1 68 68 ILE CB C 68 39.154 39.154 37.642 1.512 19942 6642 1 13 . 1 1 68 68 ILE H H 68 8.927 8.927 8.565 0.362 19942 6643 1 13 . 1 1 69 69 ALA N N 69 122.378 122.378 118.918 3.460 19942 6644 1 13 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.455 -0.060 19942 6645 1 13 . 1 1 69 69 ALA C C 69 174.111 174.111 175.266 -1.155 19942 6646 1 13 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.538 -0.679 19942 6647 1 13 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.979 2.078 19942 6648 1 13 . 1 1 69 69 ALA H H 69 8.413 8.413 7.491 0.922 19942 6649 1 13 . 1 1 70 70 SER N N 70 110.668 110.668 117.559 -6.891 19942 6650 1 13 . 1 1 70 70 SER HA H 70 4.013 4.013 4.588 -0.576 19942 6651 1 13 . 1 1 70 70 SER C C 70 174.180 174.180 173.714 0.466 19942 6652 1 13 . 1 1 70 70 SER CA C 70 58.620 58.620 57.125 1.495 19942 6653 1 13 . 1 1 70 70 SER CB C 70 64.114 64.114 65.128 -1.014 19942 6654 1 13 . 1 1 70 70 SER H H 70 8.109 8.109 7.694 0.415 19942 6655 1 13 . 1 1 71 71 GLY N N 71 108.506 108.506 108.346 0.160 19942 6656 1 13 . 1 1 71 71 GLY C C 71 170.868 170.868 173.406 -2.538 19942 6657 1 13 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.204 -0.861 19942 6658 1 13 . 1 1 71 71 GLY H H 71 8.055 8.055 8.927 -0.872 19942 6659 1 13 . 1 1 72 72 ASN N N 72 116.234 116.234 117.863 -1.629 19942 6660 1 13 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.468 -0.576 19942 6661 1 13 . 1 1 72 72 ASN C C 72 171.109 171.109 173.044 -1.935 19942 6662 1 13 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.704 -0.295 19942 6663 1 13 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.752 -0.780 19942 6664 1 13 . 1 1 72 72 ASN H H 72 8.238 8.238 8.406 -0.168 19942 6665 1 13 . 1 1 73 73 PRO C C 73 173.522 173.522 175.879 -2.357 19942 6666 1 13 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.392 0.930 19942 6667 1 13 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.894 -0.841 19942 6668 1 13 . 1 1 74 74 THR N N 74 115.192 115.192 117.119 -1.927 19942 6669 1 13 . 1 1 74 74 THR HA H 74 4.399 4.399 4.670 -0.271 19942 6670 1 13 . 1 1 74 74 THR C C 74 173.467 173.467 173.636 -0.169 19942 6671 1 13 . 1 1 74 74 THR CA C 74 61.852 61.852 62.239 -0.387 19942 6672 1 13 . 1 1 74 74 THR CB C 74 70.609 70.609 70.974 -0.365 19942 6673 1 13 . 1 1 74 74 THR H H 74 8.775 8.775 7.976 0.799 19942 6674 1 13 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.931 -0.048 19942 6675 1 13 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.362 3.425 19942 6676 1 13 . 1 1 75 75 ILE CB C 75 36.867 36.867 37.824 -0.957 19942 6677 1 13 . 1 1 76 76 ILE N N 76 126.694 126.694 128.111 -1.417 19942 6678 1 13 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.511 0.164 19942 6679 1 13 . 1 1 76 76 ILE C C 76 173.870 173.870 174.512 -0.642 19942 6680 1 13 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.068 0.475 19942 6681 1 13 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.316 0.604 19942 6682 1 13 . 1 1 76 76 ILE H H 76 8.982 8.982 8.086 0.896 19942 6683 1 13 . 1 1 77 77 ALA N N 77 126.455 126.455 130.753 -4.298 19942 6684 1 13 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.987 -0.488 19942 6685 1 13 . 1 1 77 77 ALA C C 77 175.857 175.857 176.052 -0.195 19942 6686 1 13 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.703 0.090 19942 6687 1 13 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.424 0.248 19942 6688 1 13 . 1 1 77 77 ALA H H 77 8.431 8.431 8.664 -0.233 19942 6689 1 13 . 1 1 78 78 THR N N 78 116.767 116.767 120.185 -3.418 19942 6690 1 13 . 1 1 78 78 THR HA H 78 4.849 4.849 4.576 0.273 19942 6691 1 13 . 1 1 78 78 THR C C 78 173.211 173.211 172.672 0.539 19942 6692 1 13 . 1 1 78 78 THR CA C 78 61.343 61.343 61.677 -0.334 19942 6693 1 13 . 1 1 78 78 THR CB C 78 71.627 71.627 70.808 0.819 19942 6694 1 13 . 1 1 78 78 THR H H 78 8.135 8.135 8.091 0.044 19942 6695 1 13 . 1 1 79 79 TYR N N 79 127.950 127.950 128.829 -0.879 19942 6696 1 13 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.690 -0.061 19942 6697 1 13 . 1 1 79 79 TYR C C 79 174.921 174.921 175.167 -0.246 19942 6698 1 13 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.441 1.065 19942 6699 1 13 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.488 1.084 19942 6700 1 13 . 1 1 79 79 TYR H H 79 9.136 9.136 8.950 0.186 19942 6701 1 13 . 1 1 80 80 GLY N N 80 118.393 118.393 116.544 1.849 19942 6702 1 13 . 1 1 80 80 GLY C C 80 174.902 174.902 174.718 0.184 19942 6703 1 13 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.173 0.696 19942 6704 1 13 . 1 1 80 80 GLY H H 80 8.786 8.786 8.293 0.493 19942 6705 1 13 . 1 1 81 81 SER N N 81 113.872 113.872 119.432 -5.560 19942 6706 1 13 . 1 1 81 81 SER HA H 81 4.348 4.348 4.517 -0.169 19942 6707 1 13 . 1 1 81 81 SER C C 81 173.279 173.279 174.128 -0.849 19942 6708 1 13 . 1 1 81 81 SER CA C 81 58.658 58.658 58.627 0.031 19942 6709 1 13 . 1 1 81 81 SER CB C 81 63.490 63.490 63.721 -0.231 19942 6710 1 13 . 1 1 81 81 SER H H 81 7.878 7.878 8.406 -0.528 19942 6711 1 13 . 1 1 82 82 VAL N N 82 124.320 124.320 124.349 -0.029 19942 6712 1 13 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.353 -0.104 19942 6713 1 13 . 1 1 82 82 VAL C C 82 173.455 173.455 174.135 -0.680 19942 6714 1 13 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.922 -0.270 19942 6715 1 13 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.704 -1.238 19942 6716 1 13 . 1 1 82 82 VAL H H 82 7.845 7.845 7.499 0.346 19942 6717 1 13 . 1 1 83 83 SER N N 83 119.056 119.056 121.102 -2.046 19942 6718 1 13 . 1 1 83 83 SER HA H 83 5.507 5.507 5.079 0.428 19942 6719 1 13 . 1 1 83 83 SER C C 83 173.841 173.841 173.407 0.434 19942 6720 1 13 . 1 1 83 83 SER CA C 83 56.624 56.624 56.468 0.156 19942 6721 1 13 . 1 1 83 83 SER CB C 83 66.733 66.733 66.548 0.185 19942 6722 1 13 . 1 1 83 83 SER H H 83 8.549 8.549 8.450 0.099 19942 6723 1 13 . 1 1 84 84 GLY N N 84 111.431 111.431 108.845 2.586 19942 6724 1 13 . 1 1 84 84 GLY C C 84 171.253 171.253 172.122 -0.869 19942 6725 1 13 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.359 -0.076 19942 6726 1 13 . 1 1 84 84 GLY H H 84 8.957 8.957 8.641 0.316 19942 6727 1 13 . 1 1 85 85 ASN N N 85 114.909 114.909 120.235 -5.326 19942 6728 1 13 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.176 0.723 19942 6729 1 13 . 1 1 85 85 ASN C C 85 174.553 174.553 174.679 -0.126 19942 6730 1 13 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.450 0.344 19942 6731 1 13 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.312 1.833 19942 6732 1 13 . 1 1 85 85 ASN H H 85 8.752 8.752 8.510 0.242 19942 6733 1 13 . 1 1 86 86 THR N N 86 114.501 114.501 113.242 1.259 19942 6734 1 13 . 1 1 86 86 THR HA H 86 4.677 4.677 4.674 0.003 19942 6735 1 13 . 1 1 86 86 THR C C 86 170.890 170.890 173.004 -2.114 19942 6736 1 13 . 1 1 86 86 THR CA C 86 61.715 61.715 60.318 1.397 19942 6737 1 13 . 1 1 86 86 THR CB C 86 70.636 70.636 71.844 -1.208 19942 6738 1 13 . 1 1 86 86 THR H H 86 8.922 8.922 8.470 0.452 19942 6739 1 13 . 1 1 87 87 ILE N N 87 125.857 125.857 122.171 3.686 19942 6740 1 13 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.190 0.352 19942 6741 1 13 . 1 1 87 87 ILE C C 87 175.495 175.495 174.247 1.248 19942 6742 1 13 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.897 0.346 19942 6743 1 13 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.857 0.566 19942 6744 1 13 . 1 1 87 87 ILE H H 87 8.020 8.020 8.457 -0.437 19942 6745 1 13 . 1 1 88 88 LEU N N 88 129.304 129.304 130.227 -0.923 19942 6746 1 13 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.805 -0.122 19942 6747 1 13 . 1 1 88 88 LEU C C 88 174.979 174.979 174.868 0.111 19942 6748 1 13 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.435 0.303 19942 6749 1 13 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.799 0.837 19942 6750 1 13 . 1 1 88 88 LEU H H 88 8.797 8.797 8.060 0.737 19942 6751 1 13 . 1 1 89 89 THR N N 89 117.751 117.751 122.193 -4.442 19942 6752 1 13 . 1 1 89 89 THR HA H 89 4.749 4.749 4.568 0.181 19942 6753 1 13 . 1 1 89 89 THR C C 89 173.269 173.269 173.401 -0.132 19942 6754 1 13 . 1 1 89 89 THR CA C 89 62.794 62.794 61.348 1.446 19942 6755 1 13 . 1 1 89 89 THR CB C 89 70.202 70.202 71.046 -0.843 19942 6756 1 13 . 1 1 89 89 THR H H 89 7.882 7.882 8.231 -0.349 19942 6757 1 13 . 1 1 90 90 VAL N N 90 127.485 127.485 124.837 2.648 19942 6758 1 13 . 1 1 90 90 VAL HA H 90 4.837 4.837 3.987 0.850 19942 6759 1 13 . 1 1 90 90 VAL C C 90 176.460 176.460 174.920 1.540 19942 6760 1 13 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.612 -2.201 19942 6761 1 13 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.944 0.715 19942 6762 1 13 . 1 1 90 90 VAL H H 90 9.139 9.139 8.318 0.821 19942 6763 1 13 . 1 1 91 91 ASN N N 91 126.674 126.674 127.198 -0.524 19942 6764 1 13 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.945 -0.106 19942 6765 1 13 . 1 1 91 91 ASN C C 91 174.311 174.311 173.609 0.702 19942 6766 1 13 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.461 1.318 19942 6767 1 13 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.635 -1.858 19942 6768 1 13 . 1 1 91 91 ASN H H 91 8.992 8.992 9.046 -0.055 19942 6769 1 13 . 1 1 92 92 LYS N N 92 122.622 122.622 124.345 -1.723 19942 6770 1 13 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.356 0.062 19942 6771 1 13 . 1 1 92 92 LYS C C 92 176.757 176.757 175.885 0.872 19942 6772 1 13 . 1 1 92 92 LYS CA C 92 56.470 56.470 57.032 -0.562 19942 6773 1 13 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.510 -0.208 19942 6774 1 13 . 1 1 92 92 LYS H H 92 8.556 8.556 8.473 0.083 19942 6775 1 13 . 1 1 93 93 THR N N 93 119.358 119.358 118.342 1.016 19942 6776 1 13 . 1 1 93 93 THR HA H 93 4.315 4.315 4.483 -0.168 19942 6777 1 13 . 1 1 93 93 THR C C 93 174.018 174.018 174.156 -0.138 19942 6778 1 13 . 1 1 93 93 THR CA C 93 62.060 62.060 61.862 0.198 19942 6779 1 13 . 1 1 93 93 THR CB C 93 69.715 69.715 69.705 0.010 19942 6780 1 13 . 1 1 93 93 THR H H 93 8.439 8.439 8.427 0.012 19942 6781 1 13 . 1 1 94 94 ASP N N 94 124.142 124.142 124.635 -0.493 19942 6782 1 13 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.362 0.303 19942 6783 1 13 . 1 1 94 94 ASP C C 94 175.464 175.464 175.325 0.139 19942 6784 1 13 . 1 1 94 94 ASP CA C 94 54.515 54.515 55.546 -1.031 19942 6785 1 13 . 1 1 94 94 ASP CB C 94 41.117 41.117 39.932 1.185 19942 6786 1 13 . 1 1 94 94 ASP H H 94 8.583 8.583 8.962 -0.379 19942 6787 1 14 . 1 1 3 3 ALA N N 3 123.810 123.810 124.521 -0.711 19942 6788 1 14 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.767 -0.558 19942 6789 1 14 . 1 1 3 3 ALA C C 3 177.476 177.476 176.423 1.053 19942 6790 1 14 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.382 1.068 19942 6791 1 14 . 1 1 3 3 ALA CB C 3 19.517 19.517 21.105 -1.588 19942 6792 1 14 . 1 1 3 3 ALA H H 3 8.387 8.387 8.353 0.034 19942 6793 1 14 . 1 1 4 4 THR N N 4 113.060 113.060 113.139 -0.079 19942 6794 1 14 . 1 1 4 4 THR HA H 4 4.621 4.621 4.683 -0.062 19942 6795 1 14 . 1 1 4 4 THR C C 4 174.426 174.426 173.053 1.373 19942 6796 1 14 . 1 1 4 4 THR CA C 4 60.020 60.020 60.827 -0.807 19942 6797 1 14 . 1 1 4 4 THR CB C 4 71.041 71.041 71.275 -0.234 19942 6798 1 14 . 1 1 4 4 THR H H 4 8.593 8.593 8.448 0.145 19942 6799 1 14 . 1 1 5 5 LEU N N 5 125.889 125.889 123.269 2.620 19942 6800 1 14 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.024 -0.588 19942 6801 1 14 . 1 1 5 5 LEU C C 5 175.432 175.432 176.617 -1.185 19942 6802 1 14 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.420 0.771 19942 6803 1 14 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.438 -1.179 19942 6804 1 14 . 1 1 5 5 LEU H H 5 8.888 8.888 8.569 0.319 19942 6805 1 14 . 1 1 6 6 SER N N 6 123.564 123.564 123.942 -0.378 19942 6806 1 14 . 1 1 6 6 SER HA H 6 4.574 4.574 4.455 0.119 19942 6807 1 14 . 1 1 6 6 SER C C 6 174.217 174.217 174.537 -0.320 19942 6808 1 14 . 1 1 6 6 SER CA C 6 59.688 59.688 59.824 -0.136 19942 6809 1 14 . 1 1 6 6 SER CB C 6 64.300 64.300 63.976 0.324 19942 6810 1 14 . 1 1 6 6 SER H H 6 9.155 9.155 8.997 0.158 19942 6811 1 14 . 1 1 7 7 SER N N 7 112.212 112.212 114.513 -2.301 19942 6812 1 14 . 1 1 7 7 SER HA H 7 4.499 4.499 4.780 -0.281 19942 6813 1 14 . 1 1 7 7 SER C C 7 171.592 171.592 172.369 -0.777 19942 6814 1 14 . 1 1 7 7 SER CA C 7 57.676 57.676 57.858 -0.182 19942 6815 1 14 . 1 1 7 7 SER CB C 7 64.795 64.795 65.603 -0.808 19942 6816 1 14 . 1 1 7 7 SER H H 7 7.913 7.913 7.612 0.301 19942 6817 1 14 . 1 1 8 8 ILE N N 8 120.132 120.132 116.991 3.141 19942 6818 1 14 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.915 -0.254 19942 6819 1 14 . 1 1 8 8 ILE C C 8 174.094 174.094 175.019 -0.925 19942 6820 1 14 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.600 0.717 19942 6821 1 14 . 1 1 8 8 ILE CB C 8 42.926 42.926 41.166 1.760 19942 6822 1 14 . 1 1 8 8 ILE H H 8 8.628 8.628 8.223 0.405 19942 6823 1 14 . 1 1 9 9 SER N N 9 120.939 120.939 119.545 1.394 19942 6824 1 14 . 1 1 9 9 SER HA H 9 4.907 4.907 4.926 -0.019 19942 6825 1 14 . 1 1 9 9 SER C C 9 173.176 173.176 173.612 -0.436 19942 6826 1 14 . 1 1 9 9 SER CA C 9 56.291 56.291 57.096 -0.805 19942 6827 1 14 . 1 1 9 9 SER CB C 9 65.325 65.325 66.290 -0.965 19942 6828 1 14 . 1 1 9 9 SER H H 9 8.761 8.761 8.998 -0.237 19942 6829 1 14 . 1 1 10 10 ILE N N 10 126.047 126.047 122.806 3.241 19942 6830 1 14 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.503 0.974 19942 6831 1 14 . 1 1 10 10 ILE C C 10 175.259 175.259 176.502 -1.243 19942 6832 1 14 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.880 -1.788 19942 6833 1 14 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.125 0.717 19942 6834 1 14 . 1 1 10 10 ILE H H 10 8.852 8.852 8.464 0.388 19942 6835 1 14 . 1 1 11 11 SER N N 11 122.938 122.938 124.335 -1.397 19942 6836 1 14 . 1 1 11 11 SER HA H 11 4.704 4.704 4.970 -0.266 19942 6837 1 14 . 1 1 11 11 SER C C 11 170.288 170.288 173.113 -2.825 19942 6838 1 14 . 1 1 11 11 SER CA C 11 55.401 55.401 56.595 -1.194 19942 6839 1 14 . 1 1 11 11 SER CB C 11 65.248 65.248 62.597 2.651 19942 6840 1 14 . 1 1 11 11 SER H H 11 9.108 9.108 9.054 0.054 19942 6841 1 14 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.326 0.371 19942 6842 1 14 . 1 1 12 12 PRO C C 12 175.467 175.467 175.726 -0.259 19942 6843 1 14 . 1 1 12 12 PRO CA C 12 61.456 61.456 64.335 -2.879 19942 6844 1 14 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.071 2.835 19942 6845 1 14 . 1 1 13 13 ILE N N 13 118.003 118.003 119.830 -1.827 19942 6846 1 14 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.159 0.192 19942 6847 1 14 . 1 1 13 13 ILE C C 13 176.535 176.535 175.487 1.048 19942 6848 1 14 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.613 0.479 19942 6849 1 14 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.798 0.435 19942 6850 1 14 . 1 1 13 13 ILE H H 13 8.233 8.233 8.321 -0.088 19942 6851 1 14 . 1 1 14 14 ASN N N 14 122.727 122.727 122.569 0.158 19942 6852 1 14 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.464 0.312 19942 6853 1 14 . 1 1 14 14 ASN C C 14 175.286 175.286 174.414 0.872 19942 6854 1 14 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.733 -1.147 19942 6855 1 14 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.263 -0.767 19942 6856 1 14 . 1 1 14 14 ASN H H 14 8.501 8.501 8.676 -0.175 19942 6857 1 14 . 1 1 15 15 THR N N 15 114.899 114.899 114.529 0.370 19942 6858 1 14 . 1 1 15 15 THR HA H 15 4.587 4.587 4.513 0.074 19942 6859 1 14 . 1 1 15 15 THR C C 15 173.339 173.339 172.829 0.510 19942 6860 1 14 . 1 1 15 15 THR CA C 15 61.059 61.059 61.257 -0.198 19942 6861 1 14 . 1 1 15 15 THR CB C 15 69.683 69.683 69.531 0.152 19942 6862 1 14 . 1 1 15 15 THR H H 15 8.878 8.878 8.381 0.497 19942 6863 1 14 . 1 1 16 16 ASN N N 16 119.994 119.994 124.109 -4.115 19942 6864 1 14 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.439 0.375 19942 6865 1 14 . 1 1 16 16 ASN C C 16 173.995 173.995 173.534 0.461 19942 6866 1 14 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.793 -0.407 19942 6867 1 14 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.564 -1.185 19942 6868 1 14 . 1 1 16 16 ASN H H 16 8.293 8.293 8.359 -0.066 19942 6869 1 14 . 1 1 17 17 ILE N N 17 118.356 118.356 121.145 -2.789 19942 6870 1 14 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.197 0.526 19942 6871 1 14 . 1 1 17 17 ILE C C 17 173.556 173.556 174.686 -1.130 19942 6872 1 14 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.165 -0.674 19942 6873 1 14 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.812 0.625 19942 6874 1 14 . 1 1 17 17 ILE H H 17 8.962 8.962 8.382 0.580 19942 6875 1 14 . 1 1 18 18 ASN N N 18 122.798 122.798 122.627 0.171 19942 6876 1 14 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.916 0.623 19942 6877 1 14 . 1 1 18 18 ASN C C 18 176.607 176.607 175.550 1.057 19942 6878 1 14 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.958 -0.666 19942 6879 1 14 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.005 -0.662 19942 6880 1 14 . 1 1 18 18 ASN H H 18 8.404 8.404 8.545 -0.141 19942 6881 1 14 . 1 1 19 19 THR C C 19 175.737 175.737 174.666 1.071 19942 6882 1 14 . 1 1 19 19 THR CA C 19 62.695 62.695 64.193 -1.498 19942 6883 1 14 . 1 1 19 19 THR CB C 19 68.758 68.758 68.431 0.327 19942 6884 1 14 . 1 1 20 20 THR N N 20 113.750 113.750 113.125 0.625 19942 6885 1 14 . 1 1 20 20 THR HA H 20 4.281 4.281 3.974 0.307 19942 6886 1 14 . 1 1 20 20 THR C C 20 173.630 173.630 173.307 0.323 19942 6887 1 14 . 1 1 20 20 THR CA C 20 64.559 64.559 63.003 1.556 19942 6888 1 14 . 1 1 20 20 THR CB C 20 69.925 69.925 67.301 2.624 19942 6889 1 14 . 1 1 20 20 THR H H 20 8.400 8.400 8.455 -0.055 19942 6890 1 14 . 1 1 21 21 VAL N N 21 124.237 124.237 121.625 2.612 19942 6891 1 14 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.292 -0.044 19942 6892 1 14 . 1 1 21 21 VAL C C 21 175.464 175.464 175.401 0.063 19942 6893 1 14 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.397 1.876 19942 6894 1 14 . 1 1 21 21 VAL H H 21 7.953 7.953 7.801 0.152 19942 6895 1 14 . 1 1 22 22 SER HA H 22 5.542 5.542 4.850 0.692 19942 6896 1 14 . 1 1 22 22 SER C C 22 173.145 173.145 173.858 -0.713 19942 6897 1 14 . 1 1 22 22 SER CA C 22 58.153 58.153 57.419 0.735 19942 6898 1 14 . 1 1 22 22 SER CB C 22 64.768 64.768 64.232 0.536 19942 6899 1 14 . 1 1 23 23 LYS N N 23 124.177 124.177 124.648 -0.471 19942 6900 1 14 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.451 0.059 19942 6901 1 14 . 1 1 23 23 LYS C C 23 173.847 173.847 174.135 -0.288 19942 6902 1 14 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.404 -0.453 19942 6903 1 14 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.512 1.404 19942 6904 1 14 . 1 1 23 23 LYS H H 23 9.372 9.372 8.052 1.320 19942 6905 1 14 . 1 1 24 24 GLN N N 24 128.777 128.777 125.007 3.770 19942 6906 1 14 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.357 -0.673 19942 6907 1 14 . 1 1 24 24 GLN C C 24 173.229 173.229 174.057 -0.828 19942 6908 1 14 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.942 2.186 19942 6909 1 14 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.157 -1.639 19942 6910 1 14 . 1 1 24 24 GLN H H 24 8.742 8.742 8.277 0.465 19942 6911 1 14 . 1 1 25 25 PHE N N 25 128.481 128.481 118.690 9.791 19942 6912 1 14 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.506 0.499 19942 6913 1 14 . 1 1 25 25 PHE C C 25 174.268 174.268 173.388 0.880 19942 6914 1 14 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.410 1.948 19942 6915 1 14 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.350 0.483 19942 6916 1 14 . 1 1 25 25 PHE H H 25 7.728 7.728 6.327 1.401 19942 6917 1 14 . 1 1 26 26 PHE N N 26 114.641 114.641 118.322 -3.681 19942 6918 1 14 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.026 0.501 19942 6919 1 14 . 1 1 26 26 PHE C C 26 175.679 175.679 175.071 0.608 19942 6920 1 14 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.924 0.227 19942 6921 1 14 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.495 0.242 19942 6922 1 14 . 1 1 26 26 PHE H H 26 9.354 9.354 7.813 1.541 19942 6923 1 14 . 1 1 27 27 ALA N N 27 123.352 123.352 123.819 -0.467 19942 6924 1 14 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.316 -0.111 19942 6925 1 14 . 1 1 27 27 ALA C C 27 174.966 174.966 175.684 -0.718 19942 6926 1 14 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.530 -0.584 19942 6927 1 14 . 1 1 27 27 ALA CB C 27 21.890 21.890 22.106 -0.216 19942 6928 1 14 . 1 1 27 27 ALA H H 27 8.935 8.935 9.673 -0.738 19942 6929 1 14 . 1 1 28 28 VAL N N 28 122.875 122.875 123.606 -0.731 19942 6930 1 14 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.861 -0.194 19942 6931 1 14 . 1 1 28 28 VAL C C 28 177.371 177.371 175.080 2.291 19942 6932 1 14 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.442 0.772 19942 6933 1 14 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.588 -0.293 19942 6934 1 14 . 1 1 28 28 VAL H H 28 8.933 8.933 8.880 0.053 19942 6935 1 14 . 1 1 29 29 GLY N N 29 118.628 118.628 114.191 4.437 19942 6936 1 14 . 1 1 29 29 GLY C C 29 171.637 171.637 172.215 -0.578 19942 6937 1 14 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.762 1.294 19942 6938 1 14 . 1 1 29 29 GLY H H 29 9.852 9.852 8.635 1.217 19942 6939 1 14 . 1 1 30 30 THR N N 30 119.749 119.749 119.037 0.712 19942 6940 1 14 . 1 1 30 30 THR HA H 30 5.033 5.033 5.248 -0.215 19942 6941 1 14 . 1 1 30 30 THR C C 30 173.854 173.854 173.708 0.146 19942 6942 1 14 . 1 1 30 30 THR CA C 30 62.384 62.384 61.265 1.119 19942 6943 1 14 . 1 1 30 30 THR CB C 30 69.631 69.631 70.760 -1.129 19942 6944 1 14 . 1 1 30 30 THR H H 30 8.632 8.632 8.307 0.325 19942 6945 1 14 . 1 1 31 31 TYR N N 31 126.778 126.778 127.005 -0.227 19942 6946 1 14 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.965 0.054 19942 6947 1 14 . 1 1 31 31 TYR C C 31 179.438 179.438 178.098 1.340 19942 6948 1 14 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.011 0.001 19942 6949 1 14 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.567 1.303 19942 6950 1 14 . 1 1 31 31 TYR H H 31 9.411 9.411 9.298 0.113 19942 6951 1 14 . 1 1 32 32 SER N N 32 118.249 118.249 119.425 -1.176 19942 6952 1 14 . 1 1 32 32 SER HA H 32 4.112 4.112 4.199 -0.087 19942 6953 1 14 . 1 1 32 32 SER C C 32 174.175 174.175 175.450 -1.275 19942 6954 1 14 . 1 1 32 32 SER CA C 32 61.407 61.407 60.868 0.539 19942 6955 1 14 . 1 1 32 32 SER CB C 32 62.779 62.779 63.158 -0.380 19942 6956 1 14 . 1 1 32 32 SER H H 32 9.767 9.767 8.993 0.774 19942 6957 1 14 . 1 1 33 33 ASP N N 33 119.614 119.614 120.387 -0.773 19942 6958 1 14 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.610 0.124 19942 6959 1 14 . 1 1 33 33 ASP C C 33 177.097 177.097 177.408 -0.311 19942 6960 1 14 . 1 1 33 33 ASP CA C 33 52.676 52.676 53.632 -0.956 19942 6961 1 14 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.618 -0.097 19942 6962 1 14 . 1 1 33 33 ASP H H 33 7.702 7.702 7.886 -0.184 19942 6963 1 14 . 1 1 34 34 GLY N N 34 108.749 108.749 107.098 1.651 19942 6964 1 14 . 1 1 34 34 GLY C C 34 174.828 174.828 174.546 0.282 19942 6965 1 14 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.363 -0.070 19942 6966 1 14 . 1 1 34 34 GLY H H 34 8.420 8.420 8.517 -0.097 19942 6967 1 14 . 1 1 35 35 THR N N 35 113.544 113.544 116.112 -2.568 19942 6968 1 14 . 1 1 35 35 THR HA H 35 4.297 4.297 4.425 -0.128 19942 6969 1 14 . 1 1 35 35 THR C C 35 173.074 173.074 173.406 -0.332 19942 6970 1 14 . 1 1 35 35 THR CA C 35 62.762 62.762 62.168 0.594 19942 6971 1 14 . 1 1 35 35 THR CB C 35 71.079 71.079 70.141 0.938 19942 6972 1 14 . 1 1 35 35 THR H H 35 7.863 7.863 7.746 0.117 19942 6973 1 14 . 1 1 36 36 LYS N N 36 118.248 118.248 121.599 -3.351 19942 6974 1 14 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.414 0.513 19942 6975 1 14 . 1 1 36 36 LYS C C 36 176.847 176.847 175.302 1.545 19942 6976 1 14 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.198 -0.667 19942 6977 1 14 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.187 0.736 19942 6978 1 14 . 1 1 36 36 LYS H H 36 8.374 8.374 8.431 -0.057 19942 6979 1 14 . 1 1 37 37 ALA N N 37 121.621 121.621 124.514 -2.893 19942 6980 1 14 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.573 0.095 19942 6981 1 14 . 1 1 37 37 ALA C C 37 175.556 175.556 174.631 0.925 19942 6982 1 14 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.861 -0.484 19942 6983 1 14 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.923 1.614 19942 6984 1 14 . 1 1 37 37 ALA H H 37 8.892 8.892 8.538 0.354 19942 6985 1 14 . 1 1 38 38 ASP N N 38 121.602 121.602 120.752 0.850 19942 6986 1 14 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.055 -0.195 19942 6987 1 14 . 1 1 38 38 ASP C C 38 176.487 176.487 176.798 -0.311 19942 6988 1 14 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.108 1.126 19942 6989 1 14 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.039 -0.264 19942 6990 1 14 . 1 1 38 38 ASP H H 38 8.983 8.983 8.502 0.481 19942 6991 1 14 . 1 1 39 39 LEU N N 39 128.342 128.342 127.085 1.257 19942 6992 1 14 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.637 0.224 19942 6993 1 14 . 1 1 39 39 LEU C C 39 177.565 177.565 177.433 0.132 19942 6994 1 14 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.095 -0.505 19942 6995 1 14 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.361 2.572 19942 6996 1 14 . 1 1 39 39 LEU H H 39 9.218 9.218 8.651 0.567 19942 6997 1 14 . 1 1 40 40 THR N N 40 122.567 122.567 116.698 5.869 19942 6998 1 14 . 1 1 40 40 THR HA H 40 4.526 4.526 4.442 0.083 19942 6999 1 14 . 1 1 40 40 THR C C 40 174.562 174.562 176.129 -1.567 19942 7000 1 14 . 1 1 40 40 THR CA C 40 69.870 69.870 67.588 2.282 19942 7001 1 14 . 1 1 40 40 THR CB C 40 69.268 69.268 68.825 0.443 19942 7002 1 14 . 1 1 40 40 THR H H 40 8.983 8.983 8.998 -0.015 19942 7003 1 14 . 1 1 41 41 SER N N 41 109.895 109.895 112.463 -2.568 19942 7004 1 14 . 1 1 41 41 SER HA H 41 4.465 4.465 4.524 -0.059 19942 7005 1 14 . 1 1 41 41 SER C C 41 174.686 174.686 174.960 -0.274 19942 7006 1 14 . 1 1 41 41 SER CA C 41 59.960 59.960 59.789 0.170 19942 7007 1 14 . 1 1 41 41 SER CB C 41 63.643 63.643 63.365 0.278 19942 7008 1 14 . 1 1 41 41 SER H H 41 8.749 8.749 8.567 0.182 19942 7009 1 14 . 1 1 42 42 SER N N 42 117.037 117.037 117.527 -0.490 19942 7010 1 14 . 1 1 42 42 SER HA H 42 4.706 4.706 4.652 0.054 19942 7011 1 14 . 1 1 42 42 SER C C 42 175.240 175.240 175.400 -0.160 19942 7012 1 14 . 1 1 42 42 SER CA C 42 59.742 59.742 59.190 0.552 19942 7013 1 14 . 1 1 42 42 SER CB C 42 64.724 64.724 64.471 0.253 19942 7014 1 14 . 1 1 42 42 SER H H 42 8.056 8.056 7.811 0.245 19942 7015 1 14 . 1 1 43 43 VAL N N 43 113.914 113.914 118.425 -4.511 19942 7016 1 14 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.613 -0.301 19942 7017 1 14 . 1 1 43 43 VAL C C 43 174.501 174.501 175.256 -0.755 19942 7018 1 14 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.805 0.267 19942 7019 1 14 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.500 -0.102 19942 7020 1 14 . 1 1 43 43 VAL H H 43 7.498 7.498 8.106 -0.608 19942 7021 1 14 . 1 1 44 44 THR N N 44 116.194 116.194 120.239 -4.045 19942 7022 1 14 . 1 1 44 44 THR HA H 44 4.515 4.515 4.703 -0.188 19942 7023 1 14 . 1 1 44 44 THR C C 44 175.110 175.110 173.767 1.343 19942 7024 1 14 . 1 1 44 44 THR CA C 44 62.468 62.468 62.291 0.177 19942 7025 1 14 . 1 1 44 44 THR CB C 44 69.914 69.914 70.466 -0.552 19942 7026 1 14 . 1 1 44 44 THR H H 44 9.020 9.020 8.316 0.704 19942 7027 1 14 . 1 1 45 45 TRP N N 45 133.716 133.716 128.498 5.218 19942 7028 1 14 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.845 0.539 19942 7029 1 14 . 1 1 45 45 TRP C C 45 176.565 176.565 175.813 0.752 19942 7030 1 14 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.979 -0.245 19942 7031 1 14 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.943 0.552 19942 7032 1 14 . 1 1 45 45 TRP H H 45 9.667 9.667 8.834 0.833 19942 7033 1 14 . 1 1 46 46 SER N N 46 117.142 117.142 116.584 0.558 19942 7034 1 14 . 1 1 46 46 SER HA H 46 4.620 4.620 4.918 -0.298 19942 7035 1 14 . 1 1 46 46 SER C C 46 171.333 171.333 172.745 -1.412 19942 7036 1 14 . 1 1 46 46 SER CA C 46 58.013 58.013 57.191 0.822 19942 7037 1 14 . 1 1 46 46 SER CB C 46 65.605 65.605 67.451 -1.847 19942 7038 1 14 . 1 1 46 46 SER H H 46 10.001 10.001 8.294 1.707 19942 7039 1 14 . 1 1 47 47 SER N N 47 112.791 112.791 115.727 -2.936 19942 7040 1 14 . 1 1 47 47 SER HA H 47 5.530 5.530 5.207 0.323 19942 7041 1 14 . 1 1 47 47 SER C C 47 176.141 176.141 175.212 0.929 19942 7042 1 14 . 1 1 47 47 SER CA C 47 53.591 53.591 56.096 -2.505 19942 7043 1 14 . 1 1 47 47 SER CB C 47 66.167 66.167 65.586 0.581 19942 7044 1 14 . 1 1 47 47 SER H H 47 8.594 8.594 8.404 0.190 19942 7045 1 14 . 1 1 48 48 SER N N 48 122.562 122.562 118.880 3.682 19942 7046 1 14 . 1 1 48 48 SER HA H 48 4.289 4.289 4.364 -0.075 19942 7047 1 14 . 1 1 48 48 SER C C 48 174.767 174.767 175.996 -1.229 19942 7048 1 14 . 1 1 48 48 SER CA C 48 60.419 60.419 60.239 0.180 19942 7049 1 14 . 1 1 48 48 SER CB C 48 62.630 62.630 63.614 -0.984 19942 7050 1 14 . 1 1 48 48 SER H H 48 9.685 9.685 8.654 1.031 19942 7051 1 14 . 1 1 49 49 ASN N N 49 118.253 118.253 121.446 -3.193 19942 7052 1 14 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.666 0.067 19942 7053 1 14 . 1 1 49 49 ASN C C 49 175.845 175.845 174.962 0.883 19942 7054 1 14 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.880 0.686 19942 7055 1 14 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.761 1.323 19942 7056 1 14 . 1 1 49 49 ASN H H 49 8.006 8.006 7.702 0.304 19942 7057 1 14 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.343 0.201 19942 7058 1 14 . 1 1 50 50 GLN C C 50 175.944 175.944 178.322 -2.378 19942 7059 1 14 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.538 -1.076 19942 7060 1 14 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.441 -0.528 19942 7061 1 14 . 1 1 51 51 SER N N 51 113.229 113.229 114.944 -1.715 19942 7062 1 14 . 1 1 51 51 SER HA H 51 4.302 4.302 4.214 0.088 19942 7063 1 14 . 1 1 51 51 SER C C 51 173.524 173.524 175.855 -2.331 19942 7064 1 14 . 1 1 51 51 SER CA C 51 59.973 59.973 60.678 -0.706 19942 7065 1 14 . 1 1 51 51 SER CB C 51 62.832 62.832 62.973 -0.141 19942 7066 1 14 . 1 1 51 51 SER H H 51 8.205 8.205 8.468 -0.263 19942 7067 1 14 . 1 1 52 52 GLN N N 52 116.510 116.510 119.352 -2.842 19942 7068 1 14 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.436 0.122 19942 7069 1 14 . 1 1 52 52 GLN C C 52 176.697 176.697 174.012 2.685 19942 7070 1 14 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.189 0.927 19942 7071 1 14 . 1 1 52 52 GLN CB C 52 29.584 29.584 28.893 0.691 19942 7072 1 14 . 1 1 52 52 GLN H H 52 7.277 7.277 8.020 -0.743 19942 7073 1 14 . 1 1 53 53 ALA N N 53 119.325 119.325 119.094 0.231 19942 7074 1 14 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.530 0.378 19942 7075 1 14 . 1 1 53 53 ALA C C 53 174.225 174.225 174.897 -0.672 19942 7076 1 14 . 1 1 53 53 ALA CA C 53 52.378 52.378 52.090 0.288 19942 7077 1 14 . 1 1 53 53 ALA CB C 53 22.096 22.096 21.972 0.124 19942 7078 1 14 . 1 1 53 53 ALA H H 53 8.150 8.150 7.192 0.958 19942 7079 1 14 . 1 1 54 54 LYS N N 54 120.764 120.764 120.381 0.383 19942 7080 1 14 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.839 0.070 19942 7081 1 14 . 1 1 54 54 LYS C C 54 173.892 173.892 174.620 -0.728 19942 7082 1 14 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.200 -1.438 19942 7083 1 14 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.712 -0.604 19942 7084 1 14 . 1 1 54 54 LYS H H 54 8.397 8.397 8.008 0.389 19942 7085 1 14 . 1 1 55 55 VAL N N 55 118.409 118.409 124.326 -5.917 19942 7086 1 14 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.322 0.611 19942 7087 1 14 . 1 1 55 55 VAL C C 55 172.770 172.770 174.801 -2.031 19942 7088 1 14 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.197 -3.127 19942 7089 1 14 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.489 2.385 19942 7090 1 14 . 1 1 55 55 VAL H H 55 8.748 8.748 8.574 0.174 19942 7091 1 14 . 1 1 56 56 SER N N 56 119.976 119.976 124.260 -4.284 19942 7092 1 14 . 1 1 56 56 SER HA H 56 4.364 4.364 4.659 -0.295 19942 7093 1 14 . 1 1 56 56 SER C C 56 174.635 174.635 172.864 1.771 19942 7094 1 14 . 1 1 56 56 SER CA C 56 57.399 57.399 57.755 -0.356 19942 7095 1 14 . 1 1 56 56 SER CB C 56 63.633 63.633 63.948 -0.315 19942 7096 1 14 . 1 1 56 56 SER H H 56 7.851 7.851 8.249 -0.398 19942 7097 1 14 . 1 1 57 57 ASN N N 57 124.627 124.627 125.276 -0.649 19942 7098 1 14 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.922 0.335 19942 7099 1 14 . 1 1 57 57 ASN C C 57 174.450 174.450 174.487 -0.037 19942 7100 1 14 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.095 1.293 19942 7101 1 14 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.649 1.881 19942 7102 1 14 . 1 1 57 57 ASN H H 57 9.190 9.190 8.399 0.791 19942 7103 1 14 . 1 1 58 58 ALA N N 58 127.007 127.007 126.019 0.988 19942 7104 1 14 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.673 -0.335 19942 7105 1 14 . 1 1 58 58 ALA C C 58 178.628 178.628 178.908 -0.280 19942 7106 1 14 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.069 1.159 19942 7107 1 14 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.210 -1.300 19942 7108 1 14 . 1 1 58 58 ALA H H 58 8.121 8.121 8.338 -0.217 19942 7109 1 14 . 1 1 59 59 SER N N 59 116.407 116.407 114.787 1.620 19942 7110 1 14 . 1 1 59 59 SER HA H 59 4.888 4.888 4.225 0.663 19942 7111 1 14 . 1 1 59 59 SER C C 59 176.729 176.729 176.022 0.707 19942 7112 1 14 . 1 1 59 59 SER CA C 59 62.500 62.500 61.056 1.444 19942 7113 1 14 . 1 1 59 59 SER CB C 59 63.113 63.113 62.952 0.161 19942 7114 1 14 . 1 1 59 59 SER H H 59 8.767 8.767 8.759 0.008 19942 7115 1 14 . 1 1 60 60 GLU N N 60 117.093 117.093 120.162 -3.069 19942 7116 1 14 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.366 -0.134 19942 7117 1 14 . 1 1 60 60 GLU C C 60 177.467 177.467 177.085 0.382 19942 7118 1 14 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.773 0.943 19942 7119 1 14 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.966 -0.355 19942 7120 1 14 . 1 1 60 60 GLU H H 60 9.190 9.190 8.730 0.460 19942 7121 1 14 . 1 1 61 61 THR N N 61 107.270 107.270 108.863 -1.593 19942 7122 1 14 . 1 1 61 61 THR HA H 61 4.820 4.820 4.529 0.291 19942 7123 1 14 . 1 1 61 61 THR C C 61 173.068 173.068 173.828 -0.760 19942 7124 1 14 . 1 1 61 61 THR CA C 61 59.191 59.191 60.233 -1.042 19942 7125 1 14 . 1 1 61 61 THR CB C 61 69.219 69.219 69.432 -0.213 19942 7126 1 14 . 1 1 61 61 THR H H 61 7.369 7.369 7.531 -0.162 19942 7127 1 14 . 1 1 62 62 LYS N N 62 122.917 122.917 123.902 -0.985 19942 7128 1 14 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.135 -0.449 19942 7129 1 14 . 1 1 62 62 LYS C C 62 178.225 178.225 177.110 1.115 19942 7130 1 14 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.080 0.041 19942 7131 1 14 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.199 1.091 19942 7132 1 14 . 1 1 62 62 LYS H H 62 6.924 6.924 7.398 -0.474 19942 7133 1 14 . 1 1 63 63 GLY N N 63 111.784 111.784 110.213 1.571 19942 7134 1 14 . 1 1 63 63 GLY C C 63 171.831 171.831 172.530 -0.699 19942 7135 1 14 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.528 -0.173 19942 7136 1 14 . 1 1 63 63 GLY H H 63 7.966 7.966 8.629 -0.662 19942 7137 1 14 . 1 1 64 64 LEU N N 64 120.854 120.854 120.533 0.321 19942 7138 1 14 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.361 -0.301 19942 7139 1 14 . 1 1 64 64 LEU C C 64 176.666 176.666 174.409 2.257 19942 7140 1 14 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.694 1.869 19942 7141 1 14 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.362 -1.289 19942 7142 1 14 . 1 1 64 64 LEU H H 64 7.785 7.785 7.714 0.071 19942 7143 1 14 . 1 1 65 65 VAL N N 65 135.184 135.184 126.976 8.208 19942 7144 1 14 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.428 0.208 19942 7145 1 14 . 1 1 65 65 VAL C C 65 174.956 174.956 174.726 0.230 19942 7146 1 14 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.025 0.298 19942 7147 1 14 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.955 -2.959 19942 7148 1 14 . 1 1 65 65 VAL H H 65 8.973 8.973 7.965 1.008 19942 7149 1 14 . 1 1 66 66 THR N N 66 121.955 121.955 123.501 -1.546 19942 7150 1 14 . 1 1 66 66 THR HA H 66 4.774 4.774 4.572 0.202 19942 7151 1 14 . 1 1 66 66 THR C C 66 174.266 174.266 173.313 0.953 19942 7152 1 14 . 1 1 66 66 THR CA C 66 61.225 61.225 61.764 -0.539 19942 7153 1 14 . 1 1 66 66 THR CB C 66 71.190 71.190 70.451 0.739 19942 7154 1 14 . 1 1 66 66 THR H H 66 8.947 8.947 8.220 0.727 19942 7155 1 14 . 1 1 67 67 GLY N N 67 114.304 114.304 114.156 0.148 19942 7156 1 14 . 1 1 67 67 GLY C C 67 172.326 172.326 174.386 -2.060 19942 7157 1 14 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.893 2.339 19942 7158 1 14 . 1 1 67 67 GLY H H 67 9.201 9.201 8.370 0.831 19942 7159 1 14 . 1 1 68 68 ILE N N 68 126.492 126.492 125.630 0.862 19942 7160 1 14 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.925 0.198 19942 7161 1 14 . 1 1 68 68 ILE C C 68 175.021 175.021 175.518 -0.497 19942 7162 1 14 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.330 -1.722 19942 7163 1 14 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.422 0.732 19942 7164 1 14 . 1 1 68 68 ILE H H 68 8.927 8.927 8.649 0.278 19942 7165 1 14 . 1 1 69 69 ALA N N 69 122.378 122.378 118.372 4.006 19942 7166 1 14 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.442 -0.047 19942 7167 1 14 . 1 1 69 69 ALA C C 69 174.111 174.111 175.183 -1.072 19942 7168 1 14 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.490 -0.631 19942 7169 1 14 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.989 2.068 19942 7170 1 14 . 1 1 69 69 ALA H H 69 8.413 8.413 7.533 0.880 19942 7171 1 14 . 1 1 70 70 SER N N 70 110.668 110.668 117.989 -7.321 19942 7172 1 14 . 1 1 70 70 SER HA H 70 4.013 4.013 4.543 -0.530 19942 7173 1 14 . 1 1 70 70 SER C C 70 174.180 174.180 173.562 0.618 19942 7174 1 14 . 1 1 70 70 SER CA C 70 58.620 58.620 57.229 1.391 19942 7175 1 14 . 1 1 70 70 SER CB C 70 64.114 64.114 65.136 -1.022 19942 7176 1 14 . 1 1 70 70 SER H H 70 8.109 8.109 7.694 0.415 19942 7177 1 14 . 1 1 71 71 GLY N N 71 108.506 108.506 108.843 -0.337 19942 7178 1 14 . 1 1 71 71 GLY C C 71 170.868 170.868 173.200 -2.332 19942 7179 1 14 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.569 -1.226 19942 7180 1 14 . 1 1 71 71 GLY H H 71 8.055 8.055 9.027 -0.972 19942 7181 1 14 . 1 1 72 72 ASN N N 72 116.234 116.234 116.984 -0.750 19942 7182 1 14 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.510 -0.618 19942 7183 1 14 . 1 1 72 72 ASN C C 72 171.109 171.109 173.202 -2.093 19942 7184 1 14 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.017 0.392 19942 7185 1 14 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.020 -0.048 19942 7186 1 14 . 1 1 72 72 ASN H H 72 8.238 8.238 8.136 0.102 19942 7187 1 14 . 1 1 73 73 PRO C C 73 173.522 173.522 175.851 -2.329 19942 7188 1 14 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.703 0.619 19942 7189 1 14 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.799 -1.746 19942 7190 1 14 . 1 1 74 74 THR N N 74 115.192 115.192 117.061 -1.869 19942 7191 1 14 . 1 1 74 74 THR HA H 74 4.399 4.399 4.628 -0.229 19942 7192 1 14 . 1 1 74 74 THR C C 74 173.467 173.467 173.556 -0.089 19942 7193 1 14 . 1 1 74 74 THR CA C 74 61.852 61.852 62.275 -0.423 19942 7194 1 14 . 1 1 74 74 THR CB C 74 70.609 70.609 70.882 -0.273 19942 7195 1 14 . 1 1 74 74 THR H H 74 8.775 8.775 7.975 0.800 19942 7196 1 14 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.813 0.070 19942 7197 1 14 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.573 3.214 19942 7198 1 14 . 1 1 75 75 ILE CB C 75 36.867 36.867 37.561 -0.694 19942 7199 1 14 . 1 1 76 76 ILE N N 76 126.694 126.694 128.107 -1.413 19942 7200 1 14 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.580 0.095 19942 7201 1 14 . 1 1 76 76 ILE C C 76 173.870 173.870 174.717 -0.847 19942 7202 1 14 . 1 1 76 76 ILE CA C 76 60.543 60.543 58.424 2.119 19942 7203 1 14 . 1 1 76 76 ILE CB C 76 40.920 40.920 38.278 2.643 19942 7204 1 14 . 1 1 76 76 ILE H H 76 8.982 8.982 8.003 0.979 19942 7205 1 14 . 1 1 77 77 ALA N N 77 126.455 126.455 130.782 -4.327 19942 7206 1 14 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.995 -0.496 19942 7207 1 14 . 1 1 77 77 ALA C C 77 175.857 175.857 176.136 -0.279 19942 7208 1 14 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.760 0.033 19942 7209 1 14 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.287 0.385 19942 7210 1 14 . 1 1 77 77 ALA H H 77 8.431 8.431 8.600 -0.169 19942 7211 1 14 . 1 1 78 78 THR N N 78 116.767 116.767 121.285 -4.518 19942 7212 1 14 . 1 1 78 78 THR HA H 78 4.849 4.849 4.588 0.261 19942 7213 1 14 . 1 1 78 78 THR C C 78 173.211 173.211 172.629 0.582 19942 7214 1 14 . 1 1 78 78 THR CA C 78 61.343 61.343 61.814 -0.471 19942 7215 1 14 . 1 1 78 78 THR CB C 78 71.627 71.627 70.639 0.988 19942 7216 1 14 . 1 1 78 78 THR H H 78 8.135 8.135 8.449 -0.314 19942 7217 1 14 . 1 1 79 79 TYR N N 79 127.950 127.950 129.758 -1.808 19942 7218 1 14 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.728 -0.099 19942 7219 1 14 . 1 1 79 79 TYR C C 79 174.921 174.921 174.933 -0.012 19942 7220 1 14 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.632 0.874 19942 7221 1 14 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.625 0.947 19942 7222 1 14 . 1 1 79 79 TYR H H 79 9.136 9.136 8.749 0.387 19942 7223 1 14 . 1 1 80 80 GLY N N 80 118.393 118.393 116.116 2.277 19942 7224 1 14 . 1 1 80 80 GLY C C 80 174.902 174.902 174.805 0.097 19942 7225 1 14 . 1 1 80 80 GLY CA C 80 46.869 46.869 45.811 1.058 19942 7226 1 14 . 1 1 80 80 GLY H H 80 8.786 8.786 8.288 0.498 19942 7227 1 14 . 1 1 81 81 SER N N 81 113.872 113.872 119.503 -5.631 19942 7228 1 14 . 1 1 81 81 SER HA H 81 4.348 4.348 4.434 -0.086 19942 7229 1 14 . 1 1 81 81 SER C C 81 173.279 173.279 174.388 -1.109 19942 7230 1 14 . 1 1 81 81 SER CA C 81 58.658 58.658 58.563 0.095 19942 7231 1 14 . 1 1 81 81 SER CB C 81 63.490 63.490 63.778 -0.288 19942 7232 1 14 . 1 1 81 81 SER H H 81 7.878 7.878 8.453 -0.575 19942 7233 1 14 . 1 1 82 82 VAL N N 82 124.320 124.320 123.859 0.461 19942 7234 1 14 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.259 -0.010 19942 7235 1 14 . 1 1 82 82 VAL C C 82 173.455 173.455 174.097 -0.642 19942 7236 1 14 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.852 -0.200 19942 7237 1 14 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.332 -0.866 19942 7238 1 14 . 1 1 82 82 VAL H H 82 7.845 7.845 7.329 0.516 19942 7239 1 14 . 1 1 83 83 SER N N 83 119.056 119.056 120.623 -1.567 19942 7240 1 14 . 1 1 83 83 SER HA H 83 5.507 5.507 5.121 0.386 19942 7241 1 14 . 1 1 83 83 SER C C 83 173.841 173.841 173.392 0.449 19942 7242 1 14 . 1 1 83 83 SER CA C 83 56.624 56.624 56.670 -0.046 19942 7243 1 14 . 1 1 83 83 SER CB C 83 66.733 66.733 66.588 0.145 19942 7244 1 14 . 1 1 83 83 SER H H 83 8.549 8.549 8.432 0.117 19942 7245 1 14 . 1 1 84 84 GLY N N 84 111.431 111.431 108.445 2.986 19942 7246 1 14 . 1 1 84 84 GLY C C 84 171.253 171.253 172.345 -1.092 19942 7247 1 14 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.421 -0.138 19942 7248 1 14 . 1 1 84 84 GLY H H 84 8.957 8.957 8.551 0.406 19942 7249 1 14 . 1 1 85 85 ASN N N 85 114.909 114.909 120.728 -5.819 19942 7250 1 14 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.219 0.680 19942 7251 1 14 . 1 1 85 85 ASN C C 85 174.553 174.553 174.861 -0.308 19942 7252 1 14 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.054 0.740 19942 7253 1 14 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.213 1.933 19942 7254 1 14 . 1 1 85 85 ASN H H 85 8.752 8.752 8.445 0.307 19942 7255 1 14 . 1 1 86 86 THR N N 86 114.501 114.501 114.298 0.203 19942 7256 1 14 . 1 1 86 86 THR HA H 86 4.677 4.677 4.752 -0.075 19942 7257 1 14 . 1 1 86 86 THR C C 86 170.890 170.890 173.474 -2.584 19942 7258 1 14 . 1 1 86 86 THR CA C 86 61.715 61.715 60.541 1.175 19942 7259 1 14 . 1 1 86 86 THR CB C 86 70.636 70.636 70.904 -0.268 19942 7260 1 14 . 1 1 86 86 THR H H 86 8.922 8.922 8.259 0.663 19942 7261 1 14 . 1 1 87 87 ILE N N 87 125.857 125.857 122.013 3.844 19942 7262 1 14 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.172 0.370 19942 7263 1 14 . 1 1 87 87 ILE C C 87 175.495 175.495 174.857 0.638 19942 7264 1 14 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.648 0.595 19942 7265 1 14 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.703 0.720 19942 7266 1 14 . 1 1 87 87 ILE H H 87 8.020 8.020 8.325 -0.305 19942 7267 1 14 . 1 1 88 88 LEU N N 88 129.304 129.304 129.404 -0.100 19942 7268 1 14 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.814 -0.131 19942 7269 1 14 . 1 1 88 88 LEU C C 88 174.979 174.979 175.126 -0.147 19942 7270 1 14 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.559 0.179 19942 7271 1 14 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.663 -0.027 19942 7272 1 14 . 1 1 88 88 LEU H H 88 8.797 8.797 8.055 0.742 19942 7273 1 14 . 1 1 89 89 THR N N 89 117.751 117.751 118.984 -1.233 19942 7274 1 14 . 1 1 89 89 THR HA H 89 4.749 4.749 4.700 0.049 19942 7275 1 14 . 1 1 89 89 THR C C 89 173.269 173.269 173.435 -0.166 19942 7276 1 14 . 1 1 89 89 THR CA C 89 62.794 62.794 61.575 1.219 19942 7277 1 14 . 1 1 89 89 THR CB C 89 70.202 70.202 72.197 -1.995 19942 7278 1 14 . 1 1 89 89 THR H H 89 7.882 7.882 8.904 -1.022 19942 7279 1 14 . 1 1 90 90 VAL N N 90 127.485 127.485 123.720 3.765 19942 7280 1 14 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.162 0.675 19942 7281 1 14 . 1 1 90 90 VAL C C 90 176.460 176.460 174.653 1.807 19942 7282 1 14 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.513 -2.102 19942 7283 1 14 . 1 1 90 90 VAL CB C 90 31.659 31.659 32.265 -0.606 19942 7284 1 14 . 1 1 90 90 VAL H H 90 9.139 9.139 8.273 0.866 19942 7285 1 14 . 1 1 91 91 ASN N N 91 126.674 126.674 126.860 -0.186 19942 7286 1 14 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.885 -0.046 19942 7287 1 14 . 1 1 91 91 ASN C C 91 174.311 174.311 173.604 0.707 19942 7288 1 14 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.869 0.910 19942 7289 1 14 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.356 -0.579 19942 7290 1 14 . 1 1 91 91 ASN H H 91 8.992 8.992 8.297 0.695 19942 7291 1 14 . 1 1 92 92 LYS N N 92 122.622 122.622 126.066 -3.444 19942 7292 1 14 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.491 -0.073 19942 7293 1 14 . 1 1 92 92 LYS C C 92 176.757 176.757 177.353 -0.596 19942 7294 1 14 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.846 0.625 19942 7295 1 14 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.046 0.256 19942 7296 1 14 . 1 1 92 92 LYS H H 92 8.556 8.556 8.631 -0.075 19942 7297 1 14 . 1 1 93 93 THR N N 93 119.358 119.358 116.843 2.515 19942 7298 1 14 . 1 1 93 93 THR HA H 93 4.315 4.315 4.059 0.256 19942 7299 1 14 . 1 1 93 93 THR C C 93 174.018 174.018 175.422 -1.404 19942 7300 1 14 . 1 1 93 93 THR CA C 93 62.060 62.060 63.264 -1.204 19942 7301 1 14 . 1 1 93 93 THR CB C 93 69.715 69.715 69.039 0.676 19942 7302 1 14 . 1 1 93 93 THR H H 93 8.439 8.439 8.669 -0.230 19942 7303 1 14 . 1 1 94 94 ASP N N 94 124.142 124.142 121.802 2.340 19942 7304 1 14 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.442 0.223 19942 7305 1 14 . 1 1 94 94 ASP C C 94 175.464 175.464 175.435 0.029 19942 7306 1 14 . 1 1 94 94 ASP CA C 94 54.515 54.515 56.806 -2.291 19942 7307 1 14 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.229 0.888 19942 7308 1 14 . 1 1 94 94 ASP H H 94 8.583 8.583 8.796 -0.213 19942 7309 1 15 . 1 1 3 3 ALA N N 3 123.810 123.810 119.613 4.197 19942 7310 1 15 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.574 -0.365 19942 7311 1 15 . 1 1 3 3 ALA C C 3 177.476 177.476 176.504 0.972 19942 7312 1 15 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.412 1.038 19942 7313 1 15 . 1 1 3 3 ALA CB C 3 19.517 19.517 22.032 -2.515 19942 7314 1 15 . 1 1 3 3 ALA H H 3 8.387 8.387 7.770 0.617 19942 7315 1 15 . 1 1 4 4 THR N N 4 113.060 113.060 113.125 -0.065 19942 7316 1 15 . 1 1 4 4 THR HA H 4 4.621 4.621 4.714 -0.093 19942 7317 1 15 . 1 1 4 4 THR C C 4 174.426 174.426 173.242 1.184 19942 7318 1 15 . 1 1 4 4 THR CA C 4 60.020 60.020 60.652 -0.632 19942 7319 1 15 . 1 1 4 4 THR CB C 4 71.041 71.041 70.942 0.099 19942 7320 1 15 . 1 1 4 4 THR H H 4 8.593 8.593 8.590 0.003 19942 7321 1 15 . 1 1 5 5 LEU N N 5 125.889 125.889 124.602 1.287 19942 7322 1 15 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.191 -0.755 19942 7323 1 15 . 1 1 5 5 LEU C C 5 175.432 175.432 176.402 -0.970 19942 7324 1 15 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.696 1.495 19942 7325 1 15 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.597 -1.338 19942 7326 1 15 . 1 1 5 5 LEU H H 5 8.888 8.888 8.473 0.415 19942 7327 1 15 . 1 1 6 6 SER N N 6 123.564 123.564 123.268 0.296 19942 7328 1 15 . 1 1 6 6 SER HA H 6 4.574 4.574 4.371 0.203 19942 7329 1 15 . 1 1 6 6 SER C C 6 174.217 174.217 174.699 -0.482 19942 7330 1 15 . 1 1 6 6 SER CA C 6 59.688 59.688 59.843 -0.155 19942 7331 1 15 . 1 1 6 6 SER CB C 6 64.300 64.300 63.698 0.602 19942 7332 1 15 . 1 1 6 6 SER H H 6 9.155 9.155 8.822 0.333 19942 7333 1 15 . 1 1 7 7 SER N N 7 112.212 112.212 112.477 -0.265 19942 7334 1 15 . 1 1 7 7 SER HA H 7 4.499 4.499 4.659 -0.160 19942 7335 1 15 . 1 1 7 7 SER C C 7 171.592 171.592 172.199 -0.607 19942 7336 1 15 . 1 1 7 7 SER CA C 7 57.676 57.676 57.524 0.152 19942 7337 1 15 . 1 1 7 7 SER CB C 7 64.795 64.795 65.067 -0.272 19942 7338 1 15 . 1 1 7 7 SER H H 7 7.913 7.913 7.683 0.230 19942 7339 1 15 . 1 1 8 8 ILE N N 8 120.132 120.132 120.991 -0.859 19942 7340 1 15 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.359 0.302 19942 7341 1 15 . 1 1 8 8 ILE C C 8 174.094 174.094 174.554 -0.460 19942 7342 1 15 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.244 0.073 19942 7343 1 15 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.733 2.193 19942 7344 1 15 . 1 1 8 8 ILE H H 8 8.628 8.628 8.217 0.411 19942 7345 1 15 . 1 1 9 9 SER N N 9 120.939 120.939 123.215 -2.276 19942 7346 1 15 . 1 1 9 9 SER HA H 9 4.907 4.907 4.871 0.036 19942 7347 1 15 . 1 1 9 9 SER C C 9 173.176 173.176 172.958 0.218 19942 7348 1 15 . 1 1 9 9 SER CA C 9 56.291 56.291 56.202 0.089 19942 7349 1 15 . 1 1 9 9 SER CB C 9 65.325 65.325 65.561 -0.237 19942 7350 1 15 . 1 1 9 9 SER H H 9 8.761 8.761 8.968 -0.207 19942 7351 1 15 . 1 1 10 10 ILE N N 10 126.047 126.047 124.073 1.974 19942 7352 1 15 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.449 1.028 19942 7353 1 15 . 1 1 10 10 ILE C C 10 175.259 175.259 176.138 -0.879 19942 7354 1 15 . 1 1 10 10 ILE CA C 10 59.092 59.092 59.131 -0.039 19942 7355 1 15 . 1 1 10 10 ILE CB C 10 39.842 39.842 37.246 2.596 19942 7356 1 15 . 1 1 10 10 ILE H H 10 8.852 8.852 8.453 0.399 19942 7357 1 15 . 1 1 11 11 SER N N 11 122.938 122.938 124.462 -1.524 19942 7358 1 15 . 1 1 11 11 SER HA H 11 4.704 4.704 4.960 -0.256 19942 7359 1 15 . 1 1 11 11 SER C C 11 170.288 170.288 173.085 -2.797 19942 7360 1 15 . 1 1 11 11 SER CA C 11 55.401 55.401 55.469 -0.068 19942 7361 1 15 . 1 1 11 11 SER CB C 11 65.248 65.248 62.721 2.526 19942 7362 1 15 . 1 1 11 11 SER H H 11 9.108 9.108 8.955 0.153 19942 7363 1 15 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.421 0.276 19942 7364 1 15 . 1 1 12 12 PRO C C 12 175.467 175.467 176.014 -0.547 19942 7365 1 15 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.710 -2.254 19942 7366 1 15 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.218 2.688 19942 7367 1 15 . 1 1 13 13 ILE N N 13 118.003 118.003 119.037 -1.034 19942 7368 1 15 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.217 0.134 19942 7369 1 15 . 1 1 13 13 ILE C C 13 176.535 176.535 176.095 0.440 19942 7370 1 15 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.641 0.451 19942 7371 1 15 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.924 0.309 19942 7372 1 15 . 1 1 13 13 ILE H H 13 8.233 8.233 8.318 -0.085 19942 7373 1 15 . 1 1 14 14 ASN N N 14 122.727 122.727 123.052 -0.325 19942 7374 1 15 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.451 0.325 19942 7375 1 15 . 1 1 14 14 ASN C C 14 175.286 175.286 174.365 0.921 19942 7376 1 15 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.345 -1.759 19942 7377 1 15 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.685 -1.189 19942 7378 1 15 . 1 1 14 14 ASN H H 14 8.501 8.501 8.743 -0.242 19942 7379 1 15 . 1 1 15 15 THR N N 15 114.899 114.899 110.781 4.118 19942 7380 1 15 . 1 1 15 15 THR HA H 15 4.587 4.587 4.552 0.035 19942 7381 1 15 . 1 1 15 15 THR C C 15 173.339 173.339 172.683 0.656 19942 7382 1 15 . 1 1 15 15 THR CA C 15 61.059 61.059 61.779 -0.720 19942 7383 1 15 . 1 1 15 15 THR CB C 15 69.683 69.683 70.200 -0.517 19942 7384 1 15 . 1 1 15 15 THR H H 15 8.878 8.878 8.329 0.549 19942 7385 1 15 . 1 1 16 16 ASN N N 16 119.994 119.994 122.520 -2.526 19942 7386 1 15 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.717 0.097 19942 7387 1 15 . 1 1 16 16 ASN C C 16 173.995 173.995 173.708 0.287 19942 7388 1 15 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.610 -0.224 19942 7389 1 15 . 1 1 16 16 ASN CB C 16 41.379 41.379 43.339 -1.960 19942 7390 1 15 . 1 1 16 16 ASN H H 16 8.293 8.293 8.484 -0.191 19942 7391 1 15 . 1 1 17 17 ILE N N 17 118.356 118.356 120.132 -1.776 19942 7392 1 15 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.294 0.429 19942 7393 1 15 . 1 1 17 17 ILE C C 17 173.556 173.556 174.167 -0.611 19942 7394 1 15 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.312 -0.821 19942 7395 1 15 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.351 1.086 19942 7396 1 15 . 1 1 17 17 ILE H H 17 8.962 8.962 8.318 0.644 19942 7397 1 15 . 1 1 18 18 ASN N N 18 122.798 122.798 123.313 -0.515 19942 7398 1 15 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.989 0.550 19942 7399 1 15 . 1 1 18 18 ASN C C 18 176.607 176.607 174.641 1.966 19942 7400 1 15 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.300 -1.008 19942 7401 1 15 . 1 1 18 18 ASN CB C 18 39.343 39.343 41.062 -1.720 19942 7402 1 15 . 1 1 18 18 ASN H H 18 8.404 8.404 8.228 0.176 19942 7403 1 15 . 1 1 19 19 THR C C 19 175.737 175.737 174.269 1.468 19942 7404 1 15 . 1 1 19 19 THR CA C 19 62.695 62.695 64.190 -1.495 19942 7405 1 15 . 1 1 19 19 THR CB C 19 68.758 68.758 68.383 0.375 19942 7406 1 15 . 1 1 20 20 THR N N 20 113.750 113.750 115.674 -1.924 19942 7407 1 15 . 1 1 20 20 THR HA H 20 4.281 4.281 3.855 0.426 19942 7408 1 15 . 1 1 20 20 THR C C 20 173.630 173.630 173.628 0.002 19942 7409 1 15 . 1 1 20 20 THR CA C 20 64.559 64.559 63.800 0.759 19942 7410 1 15 . 1 1 20 20 THR CB C 20 69.925 69.925 67.769 2.155 19942 7411 1 15 . 1 1 20 20 THR H H 20 8.400 8.400 8.450 -0.050 19942 7412 1 15 . 1 1 21 21 VAL N N 21 124.237 124.237 120.615 3.622 19942 7413 1 15 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.291 -0.043 19942 7414 1 15 . 1 1 21 21 VAL C C 21 175.464 175.464 175.208 0.256 19942 7415 1 15 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.938 1.335 19942 7416 1 15 . 1 1 21 21 VAL H H 21 7.953 7.953 7.765 0.188 19942 7417 1 15 . 1 1 22 22 SER HA H 22 5.542 5.542 4.878 0.664 19942 7418 1 15 . 1 1 22 22 SER C C 22 173.145 173.145 173.533 -0.388 19942 7419 1 15 . 1 1 22 22 SER CA C 22 58.153 58.153 57.990 0.163 19942 7420 1 15 . 1 1 22 22 SER CB C 22 64.768 64.768 63.905 0.863 19942 7421 1 15 . 1 1 23 23 LYS N N 23 124.177 124.177 126.181 -2.004 19942 7422 1 15 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.455 0.055 19942 7423 1 15 . 1 1 23 23 LYS C C 23 173.847 173.847 174.278 -0.431 19942 7424 1 15 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.868 0.083 19942 7425 1 15 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.170 1.746 19942 7426 1 15 . 1 1 23 23 LYS H H 23 9.372 9.372 7.920 1.452 19942 7427 1 15 . 1 1 24 24 GLN N N 24 128.777 128.777 124.603 4.174 19942 7428 1 15 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.344 -0.660 19942 7429 1 15 . 1 1 24 24 GLN C C 24 173.229 173.229 174.085 -0.856 19942 7430 1 15 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.881 2.247 19942 7431 1 15 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.177 -1.659 19942 7432 1 15 . 1 1 24 24 GLN H H 24 8.742 8.742 8.276 0.466 19942 7433 1 15 . 1 1 25 25 PHE N N 25 128.481 128.481 118.766 9.715 19942 7434 1 15 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.524 0.481 19942 7435 1 15 . 1 1 25 25 PHE C C 25 174.268 174.268 173.200 1.068 19942 7436 1 15 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.551 1.807 19942 7437 1 15 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.548 0.285 19942 7438 1 15 . 1 1 25 25 PHE H H 25 7.728 7.728 6.311 1.417 19942 7439 1 15 . 1 1 26 26 PHE N N 26 114.641 114.641 118.285 -3.644 19942 7440 1 15 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.251 0.276 19942 7441 1 15 . 1 1 26 26 PHE C C 26 175.679 175.679 176.079 -0.400 19942 7442 1 15 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.739 0.412 19942 7443 1 15 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.705 0.032 19942 7444 1 15 . 1 1 26 26 PHE H H 26 9.354 9.354 7.895 1.459 19942 7445 1 15 . 1 1 27 27 ALA N N 27 123.352 123.352 124.187 -0.835 19942 7446 1 15 . 1 1 27 27 ALA HA H 27 5.205 5.205 4.940 0.265 19942 7447 1 15 . 1 1 27 27 ALA C C 27 174.966 174.966 175.258 -0.292 19942 7448 1 15 . 1 1 27 27 ALA CA C 27 49.946 49.946 51.094 -1.148 19942 7449 1 15 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.836 0.054 19942 7450 1 15 . 1 1 27 27 ALA H H 27 8.935 8.935 9.715 -0.780 19942 7451 1 15 . 1 1 28 28 VAL N N 28 122.875 122.875 123.962 -1.087 19942 7452 1 15 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.522 0.145 19942 7453 1 15 . 1 1 28 28 VAL C C 28 177.371 177.371 175.156 2.215 19942 7454 1 15 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.922 0.292 19942 7455 1 15 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.412 -0.117 19942 7456 1 15 . 1 1 28 28 VAL H H 28 8.933 8.933 8.664 0.269 19942 7457 1 15 . 1 1 29 29 GLY N N 29 118.628 118.628 114.048 4.580 19942 7458 1 15 . 1 1 29 29 GLY C C 29 171.637 171.637 172.164 -0.527 19942 7459 1 15 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.464 1.592 19942 7460 1 15 . 1 1 29 29 GLY H H 29 9.852 9.852 8.316 1.536 19942 7461 1 15 . 1 1 30 30 THR N N 30 119.749 119.749 119.597 0.152 19942 7462 1 15 . 1 1 30 30 THR HA H 30 5.033 5.033 5.232 -0.199 19942 7463 1 15 . 1 1 30 30 THR C C 30 173.854 173.854 173.810 0.044 19942 7464 1 15 . 1 1 30 30 THR CA C 30 62.384 62.384 61.472 0.912 19942 7465 1 15 . 1 1 30 30 THR CB C 30 69.631 69.631 71.141 -1.510 19942 7466 1 15 . 1 1 30 30 THR H H 30 8.632 8.632 7.897 0.735 19942 7467 1 15 . 1 1 31 31 TYR N N 31 126.778 126.778 126.188 0.590 19942 7468 1 15 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.959 0.060 19942 7469 1 15 . 1 1 31 31 TYR C C 31 179.438 179.438 178.212 1.226 19942 7470 1 15 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.879 0.133 19942 7471 1 15 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.465 1.405 19942 7472 1 15 . 1 1 31 31 TYR H H 31 9.411 9.411 9.162 0.249 19942 7473 1 15 . 1 1 32 32 SER N N 32 118.249 118.249 118.549 -0.300 19942 7474 1 15 . 1 1 32 32 SER HA H 32 4.112 4.112 4.236 -0.124 19942 7475 1 15 . 1 1 32 32 SER C C 32 174.175 174.175 175.300 -1.125 19942 7476 1 15 . 1 1 32 32 SER CA C 32 61.407 61.407 61.001 0.406 19942 7477 1 15 . 1 1 32 32 SER CB C 32 62.779 62.779 62.906 -0.127 19942 7478 1 15 . 1 1 32 32 SER H H 32 9.767 9.767 8.707 1.060 19942 7479 1 15 . 1 1 33 33 ASP N N 33 119.614 119.614 120.541 -0.927 19942 7480 1 15 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.671 0.063 19942 7481 1 15 . 1 1 33 33 ASP C C 33 177.097 177.097 177.037 0.060 19942 7482 1 15 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.332 -1.656 19942 7483 1 15 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.217 0.304 19942 7484 1 15 . 1 1 33 33 ASP H H 33 7.702 7.702 8.030 -0.328 19942 7485 1 15 . 1 1 34 34 GLY N N 34 108.749 108.749 106.938 1.811 19942 7486 1 15 . 1 1 34 34 GLY C C 34 174.828 174.828 174.564 0.264 19942 7487 1 15 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.547 -0.254 19942 7488 1 15 . 1 1 34 34 GLY H H 34 8.420 8.420 8.420 -0.000 19942 7489 1 15 . 1 1 35 35 THR N N 35 113.544 113.544 116.571 -3.027 19942 7490 1 15 . 1 1 35 35 THR HA H 35 4.297 4.297 4.500 -0.203 19942 7491 1 15 . 1 1 35 35 THR C C 35 173.074 173.074 173.541 -0.467 19942 7492 1 15 . 1 1 35 35 THR CA C 35 62.762 62.762 62.233 0.529 19942 7493 1 15 . 1 1 35 35 THR CB C 35 71.079 71.079 69.977 1.102 19942 7494 1 15 . 1 1 35 35 THR H H 35 7.863 7.863 7.803 0.060 19942 7495 1 15 . 1 1 36 36 LYS N N 36 118.248 118.248 121.473 -3.225 19942 7496 1 15 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.308 0.619 19942 7497 1 15 . 1 1 36 36 LYS C C 36 176.847 176.847 175.551 1.296 19942 7498 1 15 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.036 -0.506 19942 7499 1 15 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.875 1.048 19942 7500 1 15 . 1 1 36 36 LYS H H 36 8.374 8.374 8.465 -0.091 19942 7501 1 15 . 1 1 37 37 ALA N N 37 121.621 121.621 125.365 -3.744 19942 7502 1 15 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.577 0.091 19942 7503 1 15 . 1 1 37 37 ALA C C 37 175.556 175.556 174.914 0.642 19942 7504 1 15 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.890 -0.513 19942 7505 1 15 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.854 1.683 19942 7506 1 15 . 1 1 37 37 ALA H H 37 8.892 8.892 8.549 0.343 19942 7507 1 15 . 1 1 38 38 ASP N N 38 121.602 121.602 121.888 -0.286 19942 7508 1 15 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.974 -0.114 19942 7509 1 15 . 1 1 38 38 ASP C C 38 176.487 176.487 176.810 -0.323 19942 7510 1 15 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.771 0.463 19942 7511 1 15 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.044 -0.269 19942 7512 1 15 . 1 1 38 38 ASP H H 38 8.983 8.983 8.560 0.423 19942 7513 1 15 . 1 1 39 39 LEU N N 39 128.342 128.342 124.831 3.511 19942 7514 1 15 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.681 0.180 19942 7515 1 15 . 1 1 39 39 LEU C C 39 177.565 177.565 177.660 -0.095 19942 7516 1 15 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.175 -0.585 19942 7517 1 15 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.726 2.207 19942 7518 1 15 . 1 1 39 39 LEU H H 39 9.218 9.218 8.480 0.738 19942 7519 1 15 . 1 1 40 40 THR N N 40 122.567 122.567 116.783 5.784 19942 7520 1 15 . 1 1 40 40 THR HA H 40 4.526 4.526 4.423 0.103 19942 7521 1 15 . 1 1 40 40 THR C C 40 174.562 174.562 176.115 -1.553 19942 7522 1 15 . 1 1 40 40 THR CA C 40 69.870 69.870 68.153 1.716 19942 7523 1 15 . 1 1 40 40 THR CB C 40 69.268 69.268 68.987 0.281 19942 7524 1 15 . 1 1 40 40 THR H H 40 8.983 8.983 8.491 0.492 19942 7525 1 15 . 1 1 41 41 SER N N 41 109.895 109.895 113.049 -3.154 19942 7526 1 15 . 1 1 41 41 SER HA H 41 4.465 4.465 4.536 -0.071 19942 7527 1 15 . 1 1 41 41 SER C C 41 174.686 174.686 174.592 0.094 19942 7528 1 15 . 1 1 41 41 SER CA C 41 59.960 59.960 59.572 0.388 19942 7529 1 15 . 1 1 41 41 SER CB C 41 63.643 63.643 62.886 0.757 19942 7530 1 15 . 1 1 41 41 SER H H 41 8.749 8.749 8.654 0.095 19942 7531 1 15 . 1 1 42 42 SER N N 42 117.037 117.037 117.444 -0.407 19942 7532 1 15 . 1 1 42 42 SER HA H 42 4.706 4.706 4.601 0.105 19942 7533 1 15 . 1 1 42 42 SER C C 42 175.240 175.240 175.483 -0.243 19942 7534 1 15 . 1 1 42 42 SER CA C 42 59.742 59.742 59.122 0.620 19942 7535 1 15 . 1 1 42 42 SER CB C 42 64.724 64.724 64.168 0.555 19942 7536 1 15 . 1 1 42 42 SER H H 42 8.056 8.056 7.761 0.295 19942 7537 1 15 . 1 1 43 43 VAL N N 43 113.914 113.914 118.426 -4.512 19942 7538 1 15 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.823 -0.511 19942 7539 1 15 . 1 1 43 43 VAL C C 43 174.501 174.501 175.393 -0.892 19942 7540 1 15 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.424 0.648 19942 7541 1 15 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.392 -0.994 19942 7542 1 15 . 1 1 43 43 VAL H H 43 7.498 7.498 8.195 -0.697 19942 7543 1 15 . 1 1 44 44 THR N N 44 116.194 116.194 119.179 -2.985 19942 7544 1 15 . 1 1 44 44 THR HA H 44 4.515 4.515 4.741 -0.226 19942 7545 1 15 . 1 1 44 44 THR C C 44 175.110 175.110 173.953 1.157 19942 7546 1 15 . 1 1 44 44 THR CA C 44 62.468 62.468 62.165 0.303 19942 7547 1 15 . 1 1 44 44 THR CB C 44 69.914 69.914 70.316 -0.402 19942 7548 1 15 . 1 1 44 44 THR H H 44 9.020 9.020 8.232 0.788 19942 7549 1 15 . 1 1 45 45 TRP N N 45 133.716 133.716 127.987 5.729 19942 7550 1 15 . 1 1 45 45 TRP HA H 45 5.384 5.384 5.037 0.347 19942 7551 1 15 . 1 1 45 45 TRP C C 45 176.565 176.565 176.201 0.364 19942 7552 1 15 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.490 0.244 19942 7553 1 15 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.797 0.698 19942 7554 1 15 . 1 1 45 45 TRP H H 45 9.667 9.667 8.864 0.803 19942 7555 1 15 . 1 1 46 46 SER N N 46 117.142 117.142 117.855 -0.713 19942 7556 1 15 . 1 1 46 46 SER HA H 46 4.620 4.620 4.850 -0.230 19942 7557 1 15 . 1 1 46 46 SER C C 46 171.333 171.333 172.561 -1.228 19942 7558 1 15 . 1 1 46 46 SER CA C 46 58.013 58.013 56.902 1.111 19942 7559 1 15 . 1 1 46 46 SER CB C 46 65.605 65.605 65.240 0.365 19942 7560 1 15 . 1 1 46 46 SER H H 46 10.001 10.001 8.383 1.618 19942 7561 1 15 . 1 1 47 47 SER N N 47 112.791 112.791 117.218 -4.427 19942 7562 1 15 . 1 1 47 47 SER HA H 47 5.530 5.530 5.301 0.229 19942 7563 1 15 . 1 1 47 47 SER C C 47 176.141 176.141 174.924 1.217 19942 7564 1 15 . 1 1 47 47 SER CA C 47 53.591 53.591 56.333 -2.742 19942 7565 1 15 . 1 1 47 47 SER CB C 47 66.167 66.167 65.701 0.466 19942 7566 1 15 . 1 1 47 47 SER H H 47 8.594 8.594 8.511 0.083 19942 7567 1 15 . 1 1 48 48 SER N N 48 122.562 122.562 119.884 2.678 19942 7568 1 15 . 1 1 48 48 SER HA H 48 4.289 4.289 4.331 -0.042 19942 7569 1 15 . 1 1 48 48 SER C C 48 174.767 174.767 175.765 -0.998 19942 7570 1 15 . 1 1 48 48 SER CA C 48 60.419 60.419 60.620 -0.201 19942 7571 1 15 . 1 1 48 48 SER CB C 48 62.630 62.630 63.313 -0.683 19942 7572 1 15 . 1 1 48 48 SER H H 48 9.685 9.685 8.429 1.256 19942 7573 1 15 . 1 1 49 49 ASN N N 49 118.253 118.253 122.450 -4.197 19942 7574 1 15 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.703 0.030 19942 7575 1 15 . 1 1 49 49 ASN C C 49 175.845 175.845 174.800 1.045 19942 7576 1 15 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.081 0.485 19942 7577 1 15 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.655 0.429 19942 7578 1 15 . 1 1 49 49 ASN H H 49 8.006 8.006 7.962 0.044 19942 7579 1 15 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.185 0.359 19942 7580 1 15 . 1 1 50 50 GLN C C 50 175.944 175.944 177.144 -1.200 19942 7581 1 15 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.807 -1.345 19942 7582 1 15 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.020 -0.107 19942 7583 1 15 . 1 1 51 51 SER N N 51 113.229 113.229 112.372 0.857 19942 7584 1 15 . 1 1 51 51 SER HA H 51 4.302 4.302 4.302 -0.000 19942 7585 1 15 . 1 1 51 51 SER C C 51 173.524 173.524 175.363 -1.839 19942 7586 1 15 . 1 1 51 51 SER CA C 51 59.973 59.973 60.748 -0.775 19942 7587 1 15 . 1 1 51 51 SER CB C 51 62.832 62.832 63.037 -0.205 19942 7588 1 15 . 1 1 51 51 SER H H 51 8.205 8.205 8.542 -0.337 19942 7589 1 15 . 1 1 52 52 GLN N N 52 116.510 116.510 119.019 -2.509 19942 7590 1 15 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.388 0.170 19942 7591 1 15 . 1 1 52 52 GLN C C 52 176.697 176.697 174.185 2.512 19942 7592 1 15 . 1 1 52 52 GLN CA C 52 56.116 56.116 56.206 -0.090 19942 7593 1 15 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.540 0.044 19942 7594 1 15 . 1 1 52 52 GLN H H 52 7.277 7.277 8.253 -0.976 19942 7595 1 15 . 1 1 53 53 ALA N N 53 119.325 119.325 118.577 0.748 19942 7596 1 15 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.550 0.358 19942 7597 1 15 . 1 1 53 53 ALA C C 53 174.225 174.225 174.805 -0.580 19942 7598 1 15 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.964 0.414 19942 7599 1 15 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.044 0.052 19942 7600 1 15 . 1 1 53 53 ALA H H 53 8.150 8.150 7.774 0.376 19942 7601 1 15 . 1 1 54 54 LYS N N 54 120.764 120.764 120.028 0.736 19942 7602 1 15 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.788 0.121 19942 7603 1 15 . 1 1 54 54 LYS C C 54 173.892 173.892 174.478 -0.586 19942 7604 1 15 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.201 -1.439 19942 7605 1 15 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.541 -0.433 19942 7606 1 15 . 1 1 54 54 LYS H H 54 8.397 8.397 8.001 0.396 19942 7607 1 15 . 1 1 55 55 VAL N N 55 118.409 118.409 124.330 -5.921 19942 7608 1 15 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.356 0.577 19942 7609 1 15 . 1 1 55 55 VAL C C 55 172.770 172.770 175.077 -2.307 19942 7610 1 15 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.214 -3.144 19942 7611 1 15 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.451 2.423 19942 7612 1 15 . 1 1 55 55 VAL H H 55 8.748 8.748 8.537 0.211 19942 7613 1 15 . 1 1 56 56 SER N N 56 119.976 119.976 124.650 -4.674 19942 7614 1 15 . 1 1 56 56 SER HA H 56 4.364 4.364 4.715 -0.351 19942 7615 1 15 . 1 1 56 56 SER C C 56 174.635 174.635 172.933 1.702 19942 7616 1 15 . 1 1 56 56 SER CA C 56 57.399 57.399 57.799 -0.400 19942 7617 1 15 . 1 1 56 56 SER CB C 56 63.633 63.633 63.672 -0.039 19942 7618 1 15 . 1 1 56 56 SER H H 56 7.851 7.851 8.528 -0.677 19942 7619 1 15 . 1 1 57 57 ASN N N 57 124.627 124.627 123.689 0.938 19942 7620 1 15 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.919 0.338 19942 7621 1 15 . 1 1 57 57 ASN C C 57 174.450 174.450 174.406 0.044 19942 7622 1 15 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.164 1.224 19942 7623 1 15 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.750 1.780 19942 7624 1 15 . 1 1 57 57 ASN H H 57 9.190 9.190 8.309 0.881 19942 7625 1 15 . 1 1 58 58 ALA N N 58 127.007 127.007 125.768 1.239 19942 7626 1 15 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.429 -0.091 19942 7627 1 15 . 1 1 58 58 ALA C C 58 178.628 178.628 177.575 1.053 19942 7628 1 15 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.435 0.793 19942 7629 1 15 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.127 -1.217 19942 7630 1 15 . 1 1 58 58 ALA H H 58 8.121 8.121 8.756 -0.635 19942 7631 1 15 . 1 1 59 59 SER N N 59 116.407 116.407 113.637 2.770 19942 7632 1 15 . 1 1 59 59 SER HA H 59 4.888 4.888 4.257 0.631 19942 7633 1 15 . 1 1 59 59 SER C C 59 176.729 176.729 176.921 -0.192 19942 7634 1 15 . 1 1 59 59 SER CA C 59 62.500 62.500 61.304 1.196 19942 7635 1 15 . 1 1 59 59 SER CB C 59 63.113 63.113 63.191 -0.078 19942 7636 1 15 . 1 1 59 59 SER H H 59 8.767 8.767 8.615 0.152 19942 7637 1 15 . 1 1 60 60 GLU N N 60 117.093 117.093 119.367 -2.274 19942 7638 1 15 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.362 -0.130 19942 7639 1 15 . 1 1 60 60 GLU C C 60 177.467 177.467 177.116 0.351 19942 7640 1 15 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.936 0.780 19942 7641 1 15 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.533 0.078 19942 7642 1 15 . 1 1 60 60 GLU H H 60 9.190 9.190 8.815 0.375 19942 7643 1 15 . 1 1 61 61 THR N N 61 107.270 107.270 106.026 1.244 19942 7644 1 15 . 1 1 61 61 THR HA H 61 4.820 4.820 4.425 0.395 19942 7645 1 15 . 1 1 61 61 THR C C 61 173.068 173.068 174.067 -0.999 19942 7646 1 15 . 1 1 61 61 THR CA C 61 59.191 59.191 60.156 -0.965 19942 7647 1 15 . 1 1 61 61 THR CB C 61 69.219 69.219 68.930 0.289 19942 7648 1 15 . 1 1 61 61 THR H H 61 7.369 7.369 7.621 -0.252 19942 7649 1 15 . 1 1 62 62 LYS N N 62 122.917 122.917 123.431 -0.514 19942 7650 1 15 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.120 -0.434 19942 7651 1 15 . 1 1 62 62 LYS C C 62 178.225 178.225 176.988 1.237 19942 7652 1 15 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.099 0.022 19942 7653 1 15 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.358 0.932 19942 7654 1 15 . 1 1 62 62 LYS H H 62 6.924 6.924 7.150 -0.226 19942 7655 1 15 . 1 1 63 63 GLY N N 63 111.784 111.784 109.737 2.047 19942 7656 1 15 . 1 1 63 63 GLY C C 63 171.831 171.831 172.261 -0.430 19942 7657 1 15 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.247 0.108 19942 7658 1 15 . 1 1 63 63 GLY H H 63 7.966 7.966 8.588 -0.622 19942 7659 1 15 . 1 1 64 64 LEU N N 64 120.854 120.854 120.591 0.263 19942 7660 1 15 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.327 -0.267 19942 7661 1 15 . 1 1 64 64 LEU C C 64 176.666 176.666 174.354 2.312 19942 7662 1 15 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.843 1.720 19942 7663 1 15 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.177 -1.104 19942 7664 1 15 . 1 1 64 64 LEU H H 64 7.785 7.785 7.443 0.342 19942 7665 1 15 . 1 1 65 65 VAL N N 65 135.184 135.184 126.865 8.319 19942 7666 1 15 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.380 0.256 19942 7667 1 15 . 1 1 65 65 VAL C C 65 174.956 174.956 174.848 0.108 19942 7668 1 15 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.892 0.430 19942 7669 1 15 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.762 -2.766 19942 7670 1 15 . 1 1 65 65 VAL H H 65 8.973 8.973 7.878 1.095 19942 7671 1 15 . 1 1 66 66 THR N N 66 121.955 121.955 123.403 -1.448 19942 7672 1 15 . 1 1 66 66 THR HA H 66 4.774 4.774 4.516 0.258 19942 7673 1 15 . 1 1 66 66 THR C C 66 174.266 174.266 173.565 0.701 19942 7674 1 15 . 1 1 66 66 THR CA C 66 61.225 61.225 62.113 -0.888 19942 7675 1 15 . 1 1 66 66 THR CB C 66 71.190 71.190 70.079 1.111 19942 7676 1 15 . 1 1 66 66 THR H H 66 8.947 8.947 8.206 0.741 19942 7677 1 15 . 1 1 67 67 GLY N N 67 114.304 114.304 114.592 -0.288 19942 7678 1 15 . 1 1 67 67 GLY C C 67 172.326 172.326 174.385 -2.059 19942 7679 1 15 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.916 2.316 19942 7680 1 15 . 1 1 67 67 GLY H H 67 9.201 9.201 8.312 0.889 19942 7681 1 15 . 1 1 68 68 ILE N N 68 126.492 126.492 125.621 0.871 19942 7682 1 15 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.895 0.228 19942 7683 1 15 . 1 1 68 68 ILE C C 68 175.021 175.021 175.657 -0.636 19942 7684 1 15 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.467 -1.859 19942 7685 1 15 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.407 0.747 19942 7686 1 15 . 1 1 68 68 ILE H H 68 8.927 8.927 8.426 0.501 19942 7687 1 15 . 1 1 69 69 ALA N N 69 122.378 122.378 118.351 4.027 19942 7688 1 15 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.503 -0.108 19942 7689 1 15 . 1 1 69 69 ALA C C 69 174.111 174.111 174.940 -0.829 19942 7690 1 15 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.238 -0.379 19942 7691 1 15 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.057 2.000 19942 7692 1 15 . 1 1 69 69 ALA H H 69 8.413 8.413 7.447 0.966 19942 7693 1 15 . 1 1 70 70 SER N N 70 110.668 110.668 118.199 -7.531 19942 7694 1 15 . 1 1 70 70 SER HA H 70 4.013 4.013 4.631 -0.618 19942 7695 1 15 . 1 1 70 70 SER C C 70 174.180 174.180 173.375 0.805 19942 7696 1 15 . 1 1 70 70 SER CA C 70 58.620 58.620 57.171 1.449 19942 7697 1 15 . 1 1 70 70 SER CB C 70 64.114 64.114 64.578 -0.464 19942 7698 1 15 . 1 1 70 70 SER H H 70 8.109 8.109 7.955 0.154 19942 7699 1 15 . 1 1 71 71 GLY N N 71 108.506 108.506 107.854 0.652 19942 7700 1 15 . 1 1 71 71 GLY C C 71 170.868 170.868 173.439 -2.571 19942 7701 1 15 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.465 -1.122 19942 7702 1 15 . 1 1 71 71 GLY H H 71 8.055 8.055 8.864 -0.809 19942 7703 1 15 . 1 1 72 72 ASN N N 72 116.234 116.234 118.679 -2.445 19942 7704 1 15 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.363 -0.471 19942 7705 1 15 . 1 1 72 72 ASN C C 72 171.109 171.109 173.081 -1.972 19942 7706 1 15 . 1 1 72 72 ASN CA C 72 51.409 51.409 50.775 0.634 19942 7707 1 15 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.328 -0.356 19942 7708 1 15 . 1 1 72 72 ASN H H 72 8.238 8.238 8.399 -0.161 19942 7709 1 15 . 1 1 73 73 PRO C C 73 173.522 173.522 175.434 -1.912 19942 7710 1 15 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.311 1.011 19942 7711 1 15 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.614 -1.561 19942 7712 1 15 . 1 1 74 74 THR N N 74 115.192 115.192 116.284 -1.092 19942 7713 1 15 . 1 1 74 74 THR HA H 74 4.399 4.399 4.628 -0.229 19942 7714 1 15 . 1 1 74 74 THR C C 74 173.467 173.467 173.240 0.227 19942 7715 1 15 . 1 1 74 74 THR CA C 74 61.852 61.852 62.183 -0.331 19942 7716 1 15 . 1 1 74 74 THR CB C 74 70.609 70.609 71.228 -0.619 19942 7717 1 15 . 1 1 74 74 THR H H 74 8.775 8.775 8.210 0.565 19942 7718 1 15 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.959 -0.076 19942 7719 1 15 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.628 3.159 19942 7720 1 15 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.476 -1.609 19942 7721 1 15 . 1 1 76 76 ILE N N 76 126.694 126.694 127.275 -0.581 19942 7722 1 15 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.528 0.147 19942 7723 1 15 . 1 1 76 76 ILE C C 76 173.870 173.870 174.319 -0.449 19942 7724 1 15 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.978 0.565 19942 7725 1 15 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.578 0.342 19942 7726 1 15 . 1 1 76 76 ILE H H 76 8.982 8.982 8.264 0.718 19942 7727 1 15 . 1 1 77 77 ALA N N 77 126.455 126.455 130.322 -3.867 19942 7728 1 15 . 1 1 77 77 ALA HA H 77 4.499 4.499 5.095 -0.596 19942 7729 1 15 . 1 1 77 77 ALA C C 77 175.857 175.857 176.275 -0.418 19942 7730 1 15 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.448 0.345 19942 7731 1 15 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.396 0.276 19942 7732 1 15 . 1 1 77 77 ALA H H 77 8.431 8.431 8.950 -0.519 19942 7733 1 15 . 1 1 78 78 THR N N 78 116.767 116.767 120.276 -3.509 19942 7734 1 15 . 1 1 78 78 THR HA H 78 4.849 4.849 4.561 0.288 19942 7735 1 15 . 1 1 78 78 THR C C 78 173.211 173.211 172.541 0.670 19942 7736 1 15 . 1 1 78 78 THR CA C 78 61.343 61.343 61.967 -0.624 19942 7737 1 15 . 1 1 78 78 THR CB C 78 71.627 71.627 71.114 0.513 19942 7738 1 15 . 1 1 78 78 THR H H 78 8.135 8.135 8.226 -0.091 19942 7739 1 15 . 1 1 79 79 TYR N N 79 127.950 127.950 129.138 -1.188 19942 7740 1 15 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.668 -0.039 19942 7741 1 15 . 1 1 79 79 TYR C C 79 174.921 174.921 175.183 -0.262 19942 7742 1 15 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.486 1.020 19942 7743 1 15 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.251 1.321 19942 7744 1 15 . 1 1 79 79 TYR H H 79 9.136 9.136 9.012 0.124 19942 7745 1 15 . 1 1 80 80 GLY N N 80 118.393 118.393 116.586 1.807 19942 7746 1 15 . 1 1 80 80 GLY C C 80 174.902 174.902 174.926 -0.024 19942 7747 1 15 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.306 0.563 19942 7748 1 15 . 1 1 80 80 GLY H H 80 8.786 8.786 8.346 0.440 19942 7749 1 15 . 1 1 81 81 SER N N 81 113.872 113.872 120.328 -6.456 19942 7750 1 15 . 1 1 81 81 SER HA H 81 4.348 4.348 4.473 -0.125 19942 7751 1 15 . 1 1 81 81 SER C C 81 173.279 173.279 174.517 -1.238 19942 7752 1 15 . 1 1 81 81 SER CA C 81 58.658 58.658 59.080 -0.421 19942 7753 1 15 . 1 1 81 81 SER CB C 81 63.490 63.490 63.991 -0.501 19942 7754 1 15 . 1 1 81 81 SER H H 81 7.878 7.878 8.514 -0.636 19942 7755 1 15 . 1 1 82 82 VAL N N 82 124.320 124.320 123.767 0.553 19942 7756 1 15 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.291 -0.042 19942 7757 1 15 . 1 1 82 82 VAL C C 82 173.455 173.455 174.149 -0.694 19942 7758 1 15 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.843 -0.191 19942 7759 1 15 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.191 -0.725 19942 7760 1 15 . 1 1 82 82 VAL H H 82 7.845 7.845 7.505 0.340 19942 7761 1 15 . 1 1 83 83 SER N N 83 119.056 119.056 120.939 -1.883 19942 7762 1 15 . 1 1 83 83 SER HA H 83 5.507 5.507 5.064 0.443 19942 7763 1 15 . 1 1 83 83 SER C C 83 173.841 173.841 173.326 0.515 19942 7764 1 15 . 1 1 83 83 SER CA C 83 56.624 56.624 56.696 -0.071 19942 7765 1 15 . 1 1 83 83 SER CB C 83 66.733 66.733 66.567 0.166 19942 7766 1 15 . 1 1 83 83 SER H H 83 8.549 8.549 8.490 0.059 19942 7767 1 15 . 1 1 84 84 GLY N N 84 111.431 111.431 108.059 3.372 19942 7768 1 15 . 1 1 84 84 GLY C C 84 171.253 171.253 172.073 -0.820 19942 7769 1 15 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.263 0.020 19942 7770 1 15 . 1 1 84 84 GLY H H 84 8.957 8.957 8.786 0.171 19942 7771 1 15 . 1 1 85 85 ASN N N 85 114.909 114.909 120.103 -5.194 19942 7772 1 15 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.248 0.651 19942 7773 1 15 . 1 1 85 85 ASN C C 85 174.553 174.553 174.712 -0.159 19942 7774 1 15 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.526 0.268 19942 7775 1 15 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.374 1.772 19942 7776 1 15 . 1 1 85 85 ASN H H 85 8.752 8.752 8.533 0.219 19942 7777 1 15 . 1 1 86 86 THR N N 86 114.501 114.501 114.188 0.313 19942 7778 1 15 . 1 1 86 86 THR HA H 86 4.677 4.677 4.681 -0.004 19942 7779 1 15 . 1 1 86 86 THR C C 86 170.890 170.890 173.541 -2.651 19942 7780 1 15 . 1 1 86 86 THR CA C 86 61.715 61.715 60.269 1.446 19942 7781 1 15 . 1 1 86 86 THR CB C 86 70.636 70.636 70.517 0.119 19942 7782 1 15 . 1 1 86 86 THR H H 86 8.922 8.922 8.629 0.293 19942 7783 1 15 . 1 1 87 87 ILE N N 87 125.857 125.857 121.418 4.439 19942 7784 1 15 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.276 0.266 19942 7785 1 15 . 1 1 87 87 ILE C C 87 175.495 175.495 175.059 0.436 19942 7786 1 15 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.461 1.782 19942 7787 1 15 . 1 1 87 87 ILE CB C 87 39.423 39.423 37.456 1.967 19942 7788 1 15 . 1 1 87 87 ILE H H 87 8.020 8.020 8.335 -0.315 19942 7789 1 15 . 1 1 88 88 LEU N N 88 129.304 129.304 129.741 -0.437 19942 7790 1 15 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.785 -0.102 19942 7791 1 15 . 1 1 88 88 LEU C C 88 174.979 174.979 174.767 0.212 19942 7792 1 15 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.580 0.158 19942 7793 1 15 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.497 0.139 19942 7794 1 15 . 1 1 88 88 LEU H H 88 8.797 8.797 8.207 0.590 19942 7795 1 15 . 1 1 89 89 THR N N 89 117.751 117.751 122.107 -4.356 19942 7796 1 15 . 1 1 89 89 THR HA H 89 4.749 4.749 4.583 0.166 19942 7797 1 15 . 1 1 89 89 THR C C 89 173.269 173.269 173.166 0.103 19942 7798 1 15 . 1 1 89 89 THR CA C 89 62.794 62.794 61.588 1.206 19942 7799 1 15 . 1 1 89 89 THR CB C 89 70.202 70.202 71.358 -1.156 19942 7800 1 15 . 1 1 89 89 THR H H 89 7.882 7.882 8.052 -0.170 19942 7801 1 15 . 1 1 90 90 VAL N N 90 127.485 127.485 126.488 0.997 19942 7802 1 15 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.089 0.748 19942 7803 1 15 . 1 1 90 90 VAL C C 90 176.460 176.460 174.557 1.903 19942 7804 1 15 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.393 -1.982 19942 7805 1 15 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.350 0.309 19942 7806 1 15 . 1 1 90 90 VAL H H 90 9.139 9.139 8.199 0.940 19942 7807 1 15 . 1 1 91 91 ASN N N 91 126.674 126.674 126.566 0.108 19942 7808 1 15 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.803 0.036 19942 7809 1 15 . 1 1 91 91 ASN C C 91 174.311 174.311 173.766 0.545 19942 7810 1 15 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.772 1.007 19942 7811 1 15 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.348 -0.571 19942 7812 1 15 . 1 1 91 91 ASN H H 91 8.992 8.992 8.220 0.772 19942 7813 1 15 . 1 1 92 92 LYS N N 92 122.622 122.622 124.864 -2.242 19942 7814 1 15 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.523 -0.105 19942 7815 1 15 . 1 1 92 92 LYS C C 92 176.757 176.757 176.466 0.291 19942 7816 1 15 . 1 1 92 92 LYS CA C 92 56.470 56.470 54.855 1.615 19942 7817 1 15 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.225 1.077 19942 7818 1 15 . 1 1 92 92 LYS H H 92 8.556 8.556 8.419 0.137 19942 7819 1 15 . 1 1 93 93 THR N N 93 119.358 119.358 119.448 -0.090 19942 7820 1 15 . 1 1 93 93 THR HA H 93 4.315 4.315 4.028 0.287 19942 7821 1 15 . 1 1 93 93 THR C C 93 174.018 174.018 176.298 -2.280 19942 7822 1 15 . 1 1 93 93 THR CA C 93 62.060 62.060 65.763 -3.703 19942 7823 1 15 . 1 1 93 93 THR CB C 93 69.715 69.715 68.606 1.109 19942 7824 1 15 . 1 1 93 93 THR H H 93 8.439 8.439 8.677 -0.238 19942 7825 1 15 . 1 1 94 94 ASP N N 94 124.142 124.142 119.787 4.355 19942 7826 1 15 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.514 0.151 19942 7827 1 15 . 1 1 94 94 ASP C C 94 175.464 175.464 176.396 -0.932 19942 7828 1 15 . 1 1 94 94 ASP CA C 94 54.515 54.515 55.948 -1.433 19942 7829 1 15 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.870 0.247 19942 7830 1 15 . 1 1 94 94 ASP H H 94 8.583 8.583 8.279 0.304 19942 7831 1 16 . 1 1 3 3 ALA N N 3 123.810 123.810 125.990 -2.180 19942 7832 1 16 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.714 -0.505 19942 7833 1 16 . 1 1 3 3 ALA C C 3 177.476 177.476 176.954 0.522 19942 7834 1 16 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.685 0.765 19942 7835 1 16 . 1 1 3 3 ALA CB C 3 19.517 19.517 21.043 -1.526 19942 7836 1 16 . 1 1 3 3 ALA H H 3 8.387 8.387 8.242 0.145 19942 7837 1 16 . 1 1 4 4 THR N N 4 113.060 113.060 113.129 -0.069 19942 7838 1 16 . 1 1 4 4 THR HA H 4 4.621 4.621 4.719 -0.098 19942 7839 1 16 . 1 1 4 4 THR C C 4 174.426 174.426 174.090 0.336 19942 7840 1 16 . 1 1 4 4 THR CA C 4 60.020 60.020 60.387 -0.367 19942 7841 1 16 . 1 1 4 4 THR CB C 4 71.041 71.041 70.737 0.304 19942 7842 1 16 . 1 1 4 4 THR H H 4 8.593 8.593 8.571 0.022 19942 7843 1 16 . 1 1 5 5 LEU N N 5 125.889 125.889 122.649 3.240 19942 7844 1 16 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.300 -0.864 19942 7845 1 16 . 1 1 5 5 LEU C C 5 175.432 175.432 176.597 -1.165 19942 7846 1 16 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.846 1.345 19942 7847 1 16 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.560 -1.301 19942 7848 1 16 . 1 1 5 5 LEU H H 5 8.888 8.888 8.508 0.380 19942 7849 1 16 . 1 1 6 6 SER N N 6 123.564 123.564 121.333 2.231 19942 7850 1 16 . 1 1 6 6 SER HA H 6 4.574 4.574 4.328 0.246 19942 7851 1 16 . 1 1 6 6 SER C C 6 174.217 174.217 174.677 -0.460 19942 7852 1 16 . 1 1 6 6 SER CA C 6 59.688 59.688 60.108 -0.420 19942 7853 1 16 . 1 1 6 6 SER CB C 6 64.300 64.300 63.803 0.497 19942 7854 1 16 . 1 1 6 6 SER H H 6 9.155 9.155 9.102 0.053 19942 7855 1 16 . 1 1 7 7 SER N N 7 112.212 112.212 112.253 -0.041 19942 7856 1 16 . 1 1 7 7 SER HA H 7 4.499 4.499 4.681 -0.182 19942 7857 1 16 . 1 1 7 7 SER C C 7 171.592 171.592 172.162 -0.570 19942 7858 1 16 . 1 1 7 7 SER CA C 7 57.676 57.676 57.758 -0.082 19942 7859 1 16 . 1 1 7 7 SER CB C 7 64.795 64.795 64.963 -0.168 19942 7860 1 16 . 1 1 7 7 SER H H 7 7.913 7.913 7.729 0.184 19942 7861 1 16 . 1 1 8 8 ILE N N 8 120.132 120.132 122.037 -1.905 19942 7862 1 16 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.411 0.250 19942 7863 1 16 . 1 1 8 8 ILE C C 8 174.094 174.094 174.779 -0.685 19942 7864 1 16 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.096 0.221 19942 7865 1 16 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.299 2.627 19942 7866 1 16 . 1 1 8 8 ILE H H 8 8.628 8.628 8.362 0.266 19942 7867 1 16 . 1 1 9 9 SER N N 9 120.939 120.939 124.624 -3.685 19942 7868 1 16 . 1 1 9 9 SER HA H 9 4.907 4.907 4.918 -0.011 19942 7869 1 16 . 1 1 9 9 SER C C 9 173.176 173.176 172.926 0.250 19942 7870 1 16 . 1 1 9 9 SER CA C 9 56.291 56.291 56.953 -0.662 19942 7871 1 16 . 1 1 9 9 SER CB C 9 65.325 65.325 66.106 -0.781 19942 7872 1 16 . 1 1 9 9 SER H H 9 8.761 8.761 8.820 -0.059 19942 7873 1 16 . 1 1 10 10 ILE N N 10 126.047 126.047 122.152 3.895 19942 7874 1 16 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.426 1.051 19942 7875 1 16 . 1 1 10 10 ILE C C 10 175.259 175.259 176.285 -1.026 19942 7876 1 16 . 1 1 10 10 ILE CA C 10 59.092 59.092 61.014 -1.922 19942 7877 1 16 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.870 -0.028 19942 7878 1 16 . 1 1 10 10 ILE H H 10 8.852 8.852 8.423 0.429 19942 7879 1 16 . 1 1 11 11 SER N N 11 122.938 122.938 122.527 0.411 19942 7880 1 16 . 1 1 11 11 SER HA H 11 4.704 4.704 4.938 -0.234 19942 7881 1 16 . 1 1 11 11 SER C C 11 170.288 170.288 172.927 -2.639 19942 7882 1 16 . 1 1 11 11 SER CA C 11 55.401 55.401 56.690 -1.289 19942 7883 1 16 . 1 1 11 11 SER CB C 11 65.248 65.248 64.141 1.107 19942 7884 1 16 . 1 1 11 11 SER H H 11 9.108 9.108 8.798 0.310 19942 7885 1 16 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.315 0.382 19942 7886 1 16 . 1 1 12 12 PRO C C 12 175.467 175.467 175.633 -0.166 19942 7887 1 16 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.784 -2.328 19942 7888 1 16 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.082 2.824 19942 7889 1 16 . 1 1 13 13 ILE N N 13 118.003 118.003 119.167 -1.164 19942 7890 1 16 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.211 0.140 19942 7891 1 16 . 1 1 13 13 ILE C C 13 176.535 176.535 177.042 -0.507 19942 7892 1 16 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.279 0.813 19942 7893 1 16 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.735 -0.502 19942 7894 1 16 . 1 1 13 13 ILE H H 13 8.233 8.233 8.362 -0.129 19942 7895 1 16 . 1 1 14 14 ASN N N 14 122.727 122.727 125.141 -2.414 19942 7896 1 16 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.411 0.365 19942 7897 1 16 . 1 1 14 14 ASN C C 14 175.286 175.286 174.585 0.701 19942 7898 1 16 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.277 -1.691 19942 7899 1 16 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.576 -1.080 19942 7900 1 16 . 1 1 14 14 ASN H H 14 8.501 8.501 8.815 -0.314 19942 7901 1 16 . 1 1 15 15 THR N N 15 114.899 114.899 116.726 -1.827 19942 7902 1 16 . 1 1 15 15 THR HA H 15 4.587 4.587 4.546 0.041 19942 7903 1 16 . 1 1 15 15 THR C C 15 173.339 173.339 172.747 0.592 19942 7904 1 16 . 1 1 15 15 THR CA C 15 61.059 61.059 61.334 -0.275 19942 7905 1 16 . 1 1 15 15 THR CB C 15 69.683 69.683 69.158 0.525 19942 7906 1 16 . 1 1 15 15 THR H H 15 8.878 8.878 8.348 0.530 19942 7907 1 16 . 1 1 16 16 ASN N N 16 119.994 119.994 124.015 -4.021 19942 7908 1 16 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.795 0.019 19942 7909 1 16 . 1 1 16 16 ASN C C 16 173.995 173.995 173.498 0.497 19942 7910 1 16 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.176 0.210 19942 7911 1 16 . 1 1 16 16 ASN CB C 16 41.379 41.379 41.836 -0.457 19942 7912 1 16 . 1 1 16 16 ASN H H 16 8.293 8.293 8.150 0.143 19942 7913 1 16 . 1 1 17 17 ILE N N 17 118.356 118.356 114.236 4.120 19942 7914 1 16 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.536 0.187 19942 7915 1 16 . 1 1 17 17 ILE C C 17 173.556 173.556 173.514 0.042 19942 7916 1 16 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.381 -0.890 19942 7917 1 16 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.661 0.776 19942 7918 1 16 . 1 1 17 17 ILE H H 17 8.962 8.962 7.900 1.062 19942 7919 1 16 . 1 1 18 18 ASN N N 18 122.798 122.798 119.237 3.561 19942 7920 1 16 . 1 1 18 18 ASN HA H 18 5.539 5.539 5.163 0.376 19942 7921 1 16 . 1 1 18 18 ASN C C 18 176.607 176.607 176.328 0.279 19942 7922 1 16 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.537 -0.245 19942 7923 1 16 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.587 -1.244 19942 7924 1 16 . 1 1 18 18 ASN H H 18 8.404 8.404 8.500 -0.096 19942 7925 1 16 . 1 1 19 19 THR C C 19 175.737 175.737 175.550 0.187 19942 7926 1 16 . 1 1 19 19 THR CA C 19 62.695 62.695 64.702 -2.007 19942 7927 1 16 . 1 1 19 19 THR CB C 19 68.758 68.758 68.967 -0.209 19942 7928 1 16 . 1 1 20 20 THR N N 20 113.750 113.750 112.136 1.614 19942 7929 1 16 . 1 1 20 20 THR HA H 20 4.281 4.281 4.375 -0.094 19942 7930 1 16 . 1 1 20 20 THR C C 20 173.630 173.630 174.903 -1.273 19942 7931 1 16 . 1 1 20 20 THR CA C 20 64.559 64.559 62.508 2.051 19942 7932 1 16 . 1 1 20 20 THR CB C 20 69.925 69.925 69.541 0.384 19942 7933 1 16 . 1 1 20 20 THR H H 20 8.400 8.400 7.785 0.615 19942 7934 1 16 . 1 1 21 21 VAL N N 21 124.237 124.237 119.982 4.255 19942 7935 1 16 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.295 -0.047 19942 7936 1 16 . 1 1 21 21 VAL C C 21 175.464 175.464 174.335 1.129 19942 7937 1 16 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.200 2.073 19942 7938 1 16 . 1 1 21 21 VAL H H 21 7.953 7.953 7.342 0.611 19942 7939 1 16 . 1 1 22 22 SER HA H 22 5.542 5.542 4.896 0.646 19942 7940 1 16 . 1 1 22 22 SER C C 22 173.145 173.145 173.293 -0.148 19942 7941 1 16 . 1 1 22 22 SER CA C 22 58.153 58.153 57.503 0.650 19942 7942 1 16 . 1 1 22 22 SER CB C 22 64.768 64.768 64.743 0.025 19942 7943 1 16 . 1 1 23 23 LYS N N 23 124.177 124.177 123.677 0.500 19942 7944 1 16 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.496 0.014 19942 7945 1 16 . 1 1 23 23 LYS C C 23 173.847 173.847 174.019 -0.172 19942 7946 1 16 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.506 0.445 19942 7947 1 16 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.323 1.593 19942 7948 1 16 . 1 1 23 23 LYS H H 23 9.372 9.372 7.949 1.423 19942 7949 1 16 . 1 1 24 24 GLN N N 24 128.777 128.777 123.554 5.223 19942 7950 1 16 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.324 -0.640 19942 7951 1 16 . 1 1 24 24 GLN C C 24 173.229 173.229 174.169 -0.940 19942 7952 1 16 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.912 2.216 19942 7953 1 16 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.002 -1.484 19942 7954 1 16 . 1 1 24 24 GLN H H 24 8.742 8.742 8.189 0.553 19942 7955 1 16 . 1 1 25 25 PHE N N 25 128.481 128.481 119.748 8.733 19942 7956 1 16 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.461 0.544 19942 7957 1 16 . 1 1 25 25 PHE C C 25 174.268 174.268 173.462 0.806 19942 7958 1 16 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.997 1.361 19942 7959 1 16 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.210 0.623 19942 7960 1 16 . 1 1 25 25 PHE H H 25 7.728 7.728 6.422 1.306 19942 7961 1 16 . 1 1 26 26 PHE N N 26 114.641 114.641 119.131 -4.490 19942 7962 1 16 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.079 0.448 19942 7963 1 16 . 1 1 26 26 PHE C C 26 175.679 175.679 175.147 0.532 19942 7964 1 16 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.899 0.252 19942 7965 1 16 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.241 0.496 19942 7966 1 16 . 1 1 26 26 PHE H H 26 9.354 9.354 8.130 1.224 19942 7967 1 16 . 1 1 27 27 ALA N N 27 123.352 123.352 124.023 -0.671 19942 7968 1 16 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.077 0.128 19942 7969 1 16 . 1 1 27 27 ALA C C 27 174.966 174.966 175.593 -0.627 19942 7970 1 16 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.644 -0.698 19942 7971 1 16 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.429 0.461 19942 7972 1 16 . 1 1 27 27 ALA H H 27 8.935 8.935 9.662 -0.727 19942 7973 1 16 . 1 1 28 28 VAL N N 28 122.875 122.875 124.433 -1.558 19942 7974 1 16 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.467 0.200 19942 7975 1 16 . 1 1 28 28 VAL C C 28 177.371 177.371 174.760 2.611 19942 7976 1 16 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.904 0.310 19942 7977 1 16 . 1 1 28 28 VAL CB C 28 34.295 34.295 35.188 -0.893 19942 7978 1 16 . 1 1 28 28 VAL H H 28 8.933 8.933 8.447 0.486 19942 7979 1 16 . 1 1 29 29 GLY N N 29 118.628 118.628 113.552 5.076 19942 7980 1 16 . 1 1 29 29 GLY C C 29 171.637 171.637 171.980 -0.343 19942 7981 1 16 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.597 1.459 19942 7982 1 16 . 1 1 29 29 GLY H H 29 9.852 9.852 8.199 1.653 19942 7983 1 16 . 1 1 30 30 THR N N 30 119.749 119.749 119.822 -0.073 19942 7984 1 16 . 1 1 30 30 THR HA H 30 5.033 5.033 5.077 -0.044 19942 7985 1 16 . 1 1 30 30 THR C C 30 173.854 173.854 173.633 0.221 19942 7986 1 16 . 1 1 30 30 THR CA C 30 62.384 62.384 61.646 0.738 19942 7987 1 16 . 1 1 30 30 THR CB C 30 69.631 69.631 71.076 -1.444 19942 7988 1 16 . 1 1 30 30 THR H H 30 8.632 8.632 7.994 0.638 19942 7989 1 16 . 1 1 31 31 TYR N N 31 126.778 126.778 126.640 0.138 19942 7990 1 16 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.870 0.149 19942 7991 1 16 . 1 1 31 31 TYR C C 31 179.438 179.438 178.035 1.403 19942 7992 1 16 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.797 0.215 19942 7993 1 16 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.299 1.571 19942 7994 1 16 . 1 1 31 31 TYR H H 31 9.411 9.411 9.360 0.051 19942 7995 1 16 . 1 1 32 32 SER N N 32 118.249 118.249 118.743 -0.494 19942 7996 1 16 . 1 1 32 32 SER HA H 32 4.112 4.112 4.219 -0.107 19942 7997 1 16 . 1 1 32 32 SER C C 32 174.175 174.175 175.353 -1.178 19942 7998 1 16 . 1 1 32 32 SER CA C 32 61.407 61.407 61.070 0.337 19942 7999 1 16 . 1 1 32 32 SER CB C 32 62.779 62.779 62.853 -0.074 19942 8000 1 16 . 1 1 32 32 SER H H 32 9.767 9.767 8.811 0.956 19942 8001 1 16 . 1 1 33 33 ASP N N 33 119.614 119.614 120.461 -0.847 19942 8002 1 16 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.705 0.029 19942 8003 1 16 . 1 1 33 33 ASP C C 33 177.097 177.097 177.039 0.058 19942 8004 1 16 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.212 -1.536 19942 8005 1 16 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.247 0.274 19942 8006 1 16 . 1 1 33 33 ASP H H 33 7.702 7.702 8.029 -0.327 19942 8007 1 16 . 1 1 34 34 GLY N N 34 108.749 108.749 107.401 1.348 19942 8008 1 16 . 1 1 34 34 GLY C C 34 174.828 174.828 174.468 0.360 19942 8009 1 16 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.637 -0.344 19942 8010 1 16 . 1 1 34 34 GLY H H 34 8.420 8.420 8.460 -0.040 19942 8011 1 16 . 1 1 35 35 THR N N 35 113.544 113.544 117.309 -3.765 19942 8012 1 16 . 1 1 35 35 THR HA H 35 4.297 4.297 4.424 -0.127 19942 8013 1 16 . 1 1 35 35 THR C C 35 173.074 173.074 173.555 -0.481 19942 8014 1 16 . 1 1 35 35 THR CA C 35 62.762 62.762 62.843 -0.081 19942 8015 1 16 . 1 1 35 35 THR CB C 35 71.079 71.079 69.901 1.178 19942 8016 1 16 . 1 1 35 35 THR H H 35 7.863 7.863 7.749 0.114 19942 8017 1 16 . 1 1 36 36 LYS N N 36 118.248 118.248 124.982 -6.734 19942 8018 1 16 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.323 0.604 19942 8019 1 16 . 1 1 36 36 LYS C C 36 176.847 176.847 175.572 1.275 19942 8020 1 16 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.164 -0.633 19942 8021 1 16 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.504 1.419 19942 8022 1 16 . 1 1 36 36 LYS H H 36 8.374 8.374 8.582 -0.208 19942 8023 1 16 . 1 1 37 37 ALA N N 37 121.621 121.621 125.288 -3.667 19942 8024 1 16 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.520 0.148 19942 8025 1 16 . 1 1 37 37 ALA C C 37 175.556 175.556 174.693 0.863 19942 8026 1 16 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.847 -0.470 19942 8027 1 16 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.606 1.931 19942 8028 1 16 . 1 1 37 37 ALA H H 37 8.892 8.892 8.402 0.490 19942 8029 1 16 . 1 1 38 38 ASP N N 38 121.602 121.602 121.402 0.200 19942 8030 1 16 . 1 1 38 38 ASP HA H 38 4.860 4.860 5.028 -0.168 19942 8031 1 16 . 1 1 38 38 ASP C C 38 176.487 176.487 176.777 -0.290 19942 8032 1 16 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.191 1.043 19942 8033 1 16 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.242 -0.467 19942 8034 1 16 . 1 1 38 38 ASP H H 38 8.983 8.983 8.483 0.500 19942 8035 1 16 . 1 1 39 39 LEU N N 39 128.342 128.342 126.767 1.575 19942 8036 1 16 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.712 0.149 19942 8037 1 16 . 1 1 39 39 LEU C C 39 177.565 177.565 177.715 -0.150 19942 8038 1 16 . 1 1 39 39 LEU CA C 39 53.590 53.590 53.930 -0.340 19942 8039 1 16 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.372 2.561 19942 8040 1 16 . 1 1 39 39 LEU H H 39 9.218 9.218 8.489 0.729 19942 8041 1 16 . 1 1 40 40 THR N N 40 122.567 122.567 117.022 5.545 19942 8042 1 16 . 1 1 40 40 THR HA H 40 4.526 4.526 4.418 0.108 19942 8043 1 16 . 1 1 40 40 THR C C 40 174.562 174.562 176.379 -1.817 19942 8044 1 16 . 1 1 40 40 THR CA C 40 69.870 69.870 68.312 1.558 19942 8045 1 16 . 1 1 40 40 THR CB C 40 69.268 69.268 68.924 0.344 19942 8046 1 16 . 1 1 40 40 THR H H 40 8.983 8.983 8.588 0.396 19942 8047 1 16 . 1 1 41 41 SER N N 41 109.895 109.895 114.515 -4.620 19942 8048 1 16 . 1 1 41 41 SER HA H 41 4.465 4.465 4.489 -0.024 19942 8049 1 16 . 1 1 41 41 SER C C 41 174.686 174.686 175.118 -0.432 19942 8050 1 16 . 1 1 41 41 SER CA C 41 59.960 59.960 60.387 -0.427 19942 8051 1 16 . 1 1 41 41 SER CB C 41 63.643 63.643 63.244 0.399 19942 8052 1 16 . 1 1 41 41 SER H H 41 8.749 8.749 8.710 0.039 19942 8053 1 16 . 1 1 42 42 SER N N 42 117.037 117.037 116.895 0.142 19942 8054 1 16 . 1 1 42 42 SER HA H 42 4.706 4.706 4.709 -0.003 19942 8055 1 16 . 1 1 42 42 SER C C 42 175.240 175.240 175.071 0.169 19942 8056 1 16 . 1 1 42 42 SER CA C 42 59.742 59.742 59.348 0.394 19942 8057 1 16 . 1 1 42 42 SER CB C 42 64.724 64.724 64.238 0.486 19942 8058 1 16 . 1 1 42 42 SER H H 42 8.056 8.056 7.488 0.568 19942 8059 1 16 . 1 1 43 43 VAL N N 43 113.914 113.914 120.054 -6.140 19942 8060 1 16 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.724 -0.412 19942 8061 1 16 . 1 1 43 43 VAL C C 43 174.501 174.501 174.992 -0.491 19942 8062 1 16 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.210 0.862 19942 8063 1 16 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.071 0.327 19942 8064 1 16 . 1 1 43 43 VAL H H 43 7.498 7.498 8.097 -0.599 19942 8065 1 16 . 1 1 44 44 THR N N 44 116.194 116.194 122.184 -5.990 19942 8066 1 16 . 1 1 44 44 THR HA H 44 4.515 4.515 4.728 -0.213 19942 8067 1 16 . 1 1 44 44 THR C C 44 175.110 175.110 174.106 1.004 19942 8068 1 16 . 1 1 44 44 THR CA C 44 62.468 62.468 62.435 0.033 19942 8069 1 16 . 1 1 44 44 THR CB C 44 69.914 69.914 70.046 -0.132 19942 8070 1 16 . 1 1 44 44 THR H H 44 9.020 9.020 8.474 0.546 19942 8071 1 16 . 1 1 45 45 TRP N N 45 133.716 133.716 128.726 4.990 19942 8072 1 16 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.783 0.601 19942 8073 1 16 . 1 1 45 45 TRP C C 45 176.565 176.565 175.969 0.596 19942 8074 1 16 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.607 0.127 19942 8075 1 16 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.319 1.176 19942 8076 1 16 . 1 1 45 45 TRP H H 45 9.667 9.667 8.791 0.876 19942 8077 1 16 . 1 1 46 46 SER N N 46 117.142 117.142 118.613 -1.471 19942 8078 1 16 . 1 1 46 46 SER HA H 46 4.620 4.620 4.796 -0.176 19942 8079 1 16 . 1 1 46 46 SER C C 46 171.333 171.333 172.578 -1.245 19942 8080 1 16 . 1 1 46 46 SER CA C 46 58.013 58.013 57.664 0.349 19942 8081 1 16 . 1 1 46 46 SER CB C 46 65.605 65.605 65.972 -0.367 19942 8082 1 16 . 1 1 46 46 SER H H 46 10.001 10.001 8.313 1.688 19942 8083 1 16 . 1 1 47 47 SER N N 47 112.791 112.791 115.859 -3.068 19942 8084 1 16 . 1 1 47 47 SER HA H 47 5.530 5.530 5.306 0.224 19942 8085 1 16 . 1 1 47 47 SER C C 47 176.141 176.141 175.292 0.849 19942 8086 1 16 . 1 1 47 47 SER CA C 47 53.591 53.591 56.271 -2.680 19942 8087 1 16 . 1 1 47 47 SER CB C 47 66.167 66.167 66.179 -0.012 19942 8088 1 16 . 1 1 47 47 SER H H 47 8.594 8.594 8.325 0.269 19942 8089 1 16 . 1 1 48 48 SER N N 48 122.562 122.562 118.938 3.624 19942 8090 1 16 . 1 1 48 48 SER HA H 48 4.289 4.289 4.386 -0.097 19942 8091 1 16 . 1 1 48 48 SER C C 48 174.767 174.767 175.742 -0.975 19942 8092 1 16 . 1 1 48 48 SER CA C 48 60.419 60.419 60.223 0.196 19942 8093 1 16 . 1 1 48 48 SER CB C 48 62.630 62.630 63.732 -1.102 19942 8094 1 16 . 1 1 48 48 SER H H 48 9.685 9.685 8.458 1.227 19942 8095 1 16 . 1 1 49 49 ASN N N 49 118.253 118.253 121.624 -3.371 19942 8096 1 16 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.802 -0.069 19942 8097 1 16 . 1 1 49 49 ASN C C 49 175.845 175.845 174.922 0.923 19942 8098 1 16 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.132 0.434 19942 8099 1 16 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.727 0.357 19942 8100 1 16 . 1 1 49 49 ASN H H 49 8.006 8.006 7.656 0.350 19942 8101 1 16 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.490 0.054 19942 8102 1 16 . 1 1 50 50 GLN C C 50 175.944 175.944 177.635 -1.691 19942 8103 1 16 . 1 1 50 50 GLN CA C 50 57.462 57.462 57.792 -0.330 19942 8104 1 16 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.139 -0.226 19942 8105 1 16 . 1 1 51 51 SER N N 51 113.229 113.229 115.814 -2.585 19942 8106 1 16 . 1 1 51 51 SER HA H 51 4.302 4.302 4.365 -0.063 19942 8107 1 16 . 1 1 51 51 SER C C 51 173.524 173.524 175.696 -2.172 19942 8108 1 16 . 1 1 51 51 SER CA C 51 59.973 59.973 60.917 -0.944 19942 8109 1 16 . 1 1 51 51 SER CB C 51 62.832 62.832 63.292 -0.460 19942 8110 1 16 . 1 1 51 51 SER H H 51 8.205 8.205 8.432 -0.227 19942 8111 1 16 . 1 1 52 52 GLN N N 52 116.510 116.510 117.901 -1.391 19942 8112 1 16 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.516 0.042 19942 8113 1 16 . 1 1 52 52 GLN C C 52 176.697 176.697 173.947 2.750 19942 8114 1 16 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.238 0.878 19942 8115 1 16 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.401 0.183 19942 8116 1 16 . 1 1 52 52 GLN H H 52 7.277 7.277 8.295 -1.018 19942 8117 1 16 . 1 1 53 53 ALA N N 53 119.325 119.325 119.219 0.106 19942 8118 1 16 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.512 0.396 19942 8119 1 16 . 1 1 53 53 ALA C C 53 174.225 174.225 174.778 -0.553 19942 8120 1 16 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.940 0.438 19942 8121 1 16 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.217 -0.121 19942 8122 1 16 . 1 1 53 53 ALA H H 53 8.150 8.150 7.029 1.121 19942 8123 1 16 . 1 1 54 54 LYS N N 54 120.764 120.764 120.396 0.368 19942 8124 1 16 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.738 0.171 19942 8125 1 16 . 1 1 54 54 LYS C C 54 173.892 173.892 174.508 -0.616 19942 8126 1 16 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.170 -1.409 19942 8127 1 16 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.518 -0.410 19942 8128 1 16 . 1 1 54 54 LYS H H 54 8.397 8.397 7.949 0.448 19942 8129 1 16 . 1 1 55 55 VAL N N 55 118.409 118.409 125.520 -7.111 19942 8130 1 16 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.363 0.570 19942 8131 1 16 . 1 1 55 55 VAL C C 55 172.770 172.770 175.462 -2.692 19942 8132 1 16 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.506 -3.436 19942 8133 1 16 . 1 1 55 55 VAL CB C 55 34.874 34.874 31.793 3.082 19942 8134 1 16 . 1 1 55 55 VAL H H 55 8.748 8.748 8.769 -0.021 19942 8135 1 16 . 1 1 56 56 SER N N 56 119.976 119.976 124.816 -4.840 19942 8136 1 16 . 1 1 56 56 SER HA H 56 4.364 4.364 4.647 -0.283 19942 8137 1 16 . 1 1 56 56 SER C C 56 174.635 174.635 173.044 1.591 19942 8138 1 16 . 1 1 56 56 SER CA C 56 57.399 57.399 57.533 -0.134 19942 8139 1 16 . 1 1 56 56 SER CB C 56 63.633 63.633 64.153 -0.520 19942 8140 1 16 . 1 1 56 56 SER H H 56 7.851 7.851 8.174 -0.323 19942 8141 1 16 . 1 1 57 57 ASN N N 57 124.627 124.627 123.234 1.393 19942 8142 1 16 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.917 0.340 19942 8143 1 16 . 1 1 57 57 ASN C C 57 174.450 174.450 174.317 0.133 19942 8144 1 16 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.374 1.014 19942 8145 1 16 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.922 0.607 19942 8146 1 16 . 1 1 57 57 ASN H H 57 9.190 9.190 8.406 0.784 19942 8147 1 16 . 1 1 58 58 ALA N N 58 127.007 127.007 126.351 0.656 19942 8148 1 16 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.592 -0.254 19942 8149 1 16 . 1 1 58 58 ALA C C 58 178.628 178.628 179.080 -0.452 19942 8150 1 16 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.132 1.096 19942 8151 1 16 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.211 -1.301 19942 8152 1 16 . 1 1 58 58 ALA H H 58 8.121 8.121 9.124 -1.003 19942 8153 1 16 . 1 1 59 59 SER N N 59 116.407 116.407 114.625 1.782 19942 8154 1 16 . 1 1 59 59 SER HA H 59 4.888 4.888 4.251 0.637 19942 8155 1 16 . 1 1 59 59 SER C C 59 176.729 176.729 176.435 0.294 19942 8156 1 16 . 1 1 59 59 SER CA C 59 62.500 62.500 61.358 1.142 19942 8157 1 16 . 1 1 59 59 SER CB C 59 63.113 63.113 62.854 0.259 19942 8158 1 16 . 1 1 59 59 SER H H 59 8.767 8.767 8.758 0.009 19942 8159 1 16 . 1 1 60 60 GLU N N 60 117.093 117.093 119.222 -2.129 19942 8160 1 16 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.378 -0.146 19942 8161 1 16 . 1 1 60 60 GLU C C 60 177.467 177.467 176.605 0.862 19942 8162 1 16 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.726 0.990 19942 8163 1 16 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.842 -0.231 19942 8164 1 16 . 1 1 60 60 GLU H H 60 9.190 9.190 8.499 0.691 19942 8165 1 16 . 1 1 61 61 THR N N 61 107.270 107.270 108.531 -1.261 19942 8166 1 16 . 1 1 61 61 THR HA H 61 4.820 4.820 4.456 0.364 19942 8167 1 16 . 1 1 61 61 THR C C 61 173.068 173.068 173.727 -0.659 19942 8168 1 16 . 1 1 61 61 THR CA C 61 59.191 59.191 60.042 -0.851 19942 8169 1 16 . 1 1 61 61 THR CB C 61 69.219 69.219 68.186 1.033 19942 8170 1 16 . 1 1 61 61 THR H H 61 7.369 7.369 7.685 -0.316 19942 8171 1 16 . 1 1 62 62 LYS N N 62 122.917 122.917 122.425 0.492 19942 8172 1 16 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.105 -0.419 19942 8173 1 16 . 1 1 62 62 LYS C C 62 178.225 178.225 177.006 1.219 19942 8174 1 16 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.600 0.521 19942 8175 1 16 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.048 1.242 19942 8176 1 16 . 1 1 62 62 LYS H H 62 6.924 6.924 7.140 -0.216 19942 8177 1 16 . 1 1 63 63 GLY N N 63 111.784 111.784 110.197 1.587 19942 8178 1 16 . 1 1 63 63 GLY C C 63 171.831 171.831 172.452 -0.621 19942 8179 1 16 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.258 0.097 19942 8180 1 16 . 1 1 63 63 GLY H H 63 7.966 7.966 8.625 -0.659 19942 8181 1 16 . 1 1 64 64 LEU N N 64 120.854 120.854 121.664 -0.810 19942 8182 1 16 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.391 -0.331 19942 8183 1 16 . 1 1 64 64 LEU C C 64 176.666 176.666 174.297 2.369 19942 8184 1 16 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.731 1.832 19942 8185 1 16 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.487 -1.414 19942 8186 1 16 . 1 1 64 64 LEU H H 64 7.785 7.785 8.343 -0.558 19942 8187 1 16 . 1 1 65 65 VAL N N 65 135.184 135.184 126.504 8.680 19942 8188 1 16 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.391 0.245 19942 8189 1 16 . 1 1 65 65 VAL C C 65 174.956 174.956 174.054 0.902 19942 8190 1 16 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.980 0.343 19942 8191 1 16 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.755 -2.760 19942 8192 1 16 . 1 1 65 65 VAL H H 65 8.973 8.973 7.799 1.174 19942 8193 1 16 . 1 1 66 66 THR N N 66 121.955 121.955 121.170 0.785 19942 8194 1 16 . 1 1 66 66 THR HA H 66 4.774 4.774 4.619 0.155 19942 8195 1 16 . 1 1 66 66 THR C C 66 174.266 174.266 173.743 0.523 19942 8196 1 16 . 1 1 66 66 THR CA C 66 61.225 61.225 60.311 0.914 19942 8197 1 16 . 1 1 66 66 THR CB C 66 71.190 71.190 70.353 0.837 19942 8198 1 16 . 1 1 66 66 THR H H 66 8.947 8.947 8.166 0.781 19942 8199 1 16 . 1 1 67 67 GLY N N 67 114.304 114.304 115.312 -1.008 19942 8200 1 16 . 1 1 67 67 GLY C C 67 172.326 172.326 173.554 -1.228 19942 8201 1 16 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.765 2.467 19942 8202 1 16 . 1 1 67 67 GLY H H 67 9.201 9.201 8.093 1.108 19942 8203 1 16 . 1 1 68 68 ILE N N 68 126.492 126.492 124.396 2.096 19942 8204 1 16 . 1 1 68 68 ILE HA H 68 4.123 4.123 4.306 -0.183 19942 8205 1 16 . 1 1 68 68 ILE C C 68 175.021 175.021 176.463 -1.442 19942 8206 1 16 . 1 1 68 68 ILE CA C 68 61.608 61.608 62.509 -0.901 19942 8207 1 16 . 1 1 68 68 ILE CB C 68 39.154 39.154 39.873 -0.719 19942 8208 1 16 . 1 1 68 68 ILE H H 68 8.927 8.927 7.925 1.002 19942 8209 1 16 . 1 1 69 69 ALA N N 69 122.378 122.378 121.556 0.822 19942 8210 1 16 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.423 -0.028 19942 8211 1 16 . 1 1 69 69 ALA C C 69 174.111 174.111 175.568 -1.457 19942 8212 1 16 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.290 -0.431 19942 8213 1 16 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.221 1.836 19942 8214 1 16 . 1 1 69 69 ALA H H 69 8.413 8.413 7.623 0.790 19942 8215 1 16 . 1 1 70 70 SER N N 70 110.668 110.668 117.062 -6.394 19942 8216 1 16 . 1 1 70 70 SER HA H 70 4.013 4.013 4.573 -0.560 19942 8217 1 16 . 1 1 70 70 SER C C 70 174.180 174.180 173.875 0.305 19942 8218 1 16 . 1 1 70 70 SER CA C 70 58.620 58.620 57.560 1.060 19942 8219 1 16 . 1 1 70 70 SER CB C 70 64.114 64.114 65.080 -0.966 19942 8220 1 16 . 1 1 70 70 SER H H 70 8.109 8.109 8.113 -0.004 19942 8221 1 16 . 1 1 71 71 GLY N N 71 108.506 108.506 108.781 -0.275 19942 8222 1 16 . 1 1 71 71 GLY C C 71 170.868 170.868 173.392 -2.524 19942 8223 1 16 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.432 -1.089 19942 8224 1 16 . 1 1 71 71 GLY H H 71 8.055 8.055 8.372 -0.317 19942 8225 1 16 . 1 1 72 72 ASN N N 72 116.234 116.234 119.408 -3.174 19942 8226 1 16 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.353 -0.461 19942 8227 1 16 . 1 1 72 72 ASN C C 72 171.109 171.109 173.142 -2.033 19942 8228 1 16 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.150 0.259 19942 8229 1 16 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.623 -0.651 19942 8230 1 16 . 1 1 72 72 ASN H H 72 8.238 8.238 8.294 -0.056 19942 8231 1 16 . 1 1 73 73 PRO C C 73 173.522 173.522 176.006 -2.484 19942 8232 1 16 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.586 0.736 19942 8233 1 16 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.689 -0.636 19942 8234 1 16 . 1 1 74 74 THR N N 74 115.192 115.192 118.977 -3.785 19942 8235 1 16 . 1 1 74 74 THR HA H 74 4.399 4.399 4.667 -0.268 19942 8236 1 16 . 1 1 74 74 THR C C 74 173.467 173.467 173.463 0.004 19942 8237 1 16 . 1 1 74 74 THR CA C 74 61.852 61.852 62.283 -0.431 19942 8238 1 16 . 1 1 74 74 THR CB C 74 70.609 70.609 70.276 0.333 19942 8239 1 16 . 1 1 74 74 THR H H 74 8.775 8.775 8.098 0.677 19942 8240 1 16 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.607 0.276 19942 8241 1 16 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.898 2.889 19942 8242 1 16 . 1 1 75 75 ILE CB C 75 36.867 36.867 37.265 -0.398 19942 8243 1 16 . 1 1 76 76 ILE N N 76 126.694 126.694 127.584 -0.890 19942 8244 1 16 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.521 0.154 19942 8245 1 16 . 1 1 76 76 ILE C C 76 173.870 173.870 174.284 -0.414 19942 8246 1 16 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.025 0.518 19942 8247 1 16 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.474 0.446 19942 8248 1 16 . 1 1 76 76 ILE H H 76 8.982 8.982 8.364 0.618 19942 8249 1 16 . 1 1 77 77 ALA N N 77 126.455 126.455 130.728 -4.273 19942 8250 1 16 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.959 -0.460 19942 8251 1 16 . 1 1 77 77 ALA C C 77 175.857 175.857 176.081 -0.224 19942 8252 1 16 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.752 0.042 19942 8253 1 16 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.101 0.571 19942 8254 1 16 . 1 1 77 77 ALA H H 77 8.431 8.431 8.607 -0.176 19942 8255 1 16 . 1 1 78 78 THR N N 78 116.767 116.767 120.649 -3.882 19942 8256 1 16 . 1 1 78 78 THR HA H 78 4.849 4.849 4.588 0.261 19942 8257 1 16 . 1 1 78 78 THR C C 78 173.211 173.211 172.566 0.645 19942 8258 1 16 . 1 1 78 78 THR CA C 78 61.343 61.343 61.876 -0.533 19942 8259 1 16 . 1 1 78 78 THR CB C 78 71.627 71.627 71.204 0.423 19942 8260 1 16 . 1 1 78 78 THR H H 78 8.135 8.135 8.218 -0.083 19942 8261 1 16 . 1 1 79 79 TYR N N 79 127.950 127.950 128.852 -0.902 19942 8262 1 16 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.767 -0.138 19942 8263 1 16 . 1 1 79 79 TYR C C 79 174.921 174.921 175.030 -0.109 19942 8264 1 16 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.646 0.860 19942 8265 1 16 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.726 0.846 19942 8266 1 16 . 1 1 79 79 TYR H H 79 9.136 9.136 8.906 0.230 19942 8267 1 16 . 1 1 80 80 GLY N N 80 118.393 118.393 116.914 1.479 19942 8268 1 16 . 1 1 80 80 GLY C C 80 174.902 174.902 174.694 0.208 19942 8269 1 16 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.435 0.434 19942 8270 1 16 . 1 1 80 80 GLY H H 80 8.786 8.786 8.358 0.428 19942 8271 1 16 . 1 1 81 81 SER N N 81 113.872 113.872 119.392 -5.520 19942 8272 1 16 . 1 1 81 81 SER HA H 81 4.348 4.348 4.504 -0.156 19942 8273 1 16 . 1 1 81 81 SER C C 81 173.279 173.279 173.916 -0.637 19942 8274 1 16 . 1 1 81 81 SER CA C 81 58.658 58.658 58.783 -0.125 19942 8275 1 16 . 1 1 81 81 SER CB C 81 63.490 63.490 63.846 -0.356 19942 8276 1 16 . 1 1 81 81 SER H H 81 7.878 7.878 8.397 -0.519 19942 8277 1 16 . 1 1 82 82 VAL N N 82 124.320 124.320 124.071 0.249 19942 8278 1 16 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.355 -0.106 19942 8279 1 16 . 1 1 82 82 VAL C C 82 173.455 173.455 173.840 -0.385 19942 8280 1 16 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.725 -0.073 19942 8281 1 16 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.670 -1.204 19942 8282 1 16 . 1 1 82 82 VAL H H 82 7.845 7.845 7.594 0.251 19942 8283 1 16 . 1 1 83 83 SER N N 83 119.056 119.056 120.840 -1.784 19942 8284 1 16 . 1 1 83 83 SER HA H 83 5.507 5.507 5.024 0.483 19942 8285 1 16 . 1 1 83 83 SER C C 83 173.841 173.841 173.275 0.566 19942 8286 1 16 . 1 1 83 83 SER CA C 83 56.624 56.624 57.017 -0.393 19942 8287 1 16 . 1 1 83 83 SER CB C 83 66.733 66.733 66.635 0.098 19942 8288 1 16 . 1 1 83 83 SER H H 83 8.549 8.549 8.400 0.149 19942 8289 1 16 . 1 1 84 84 GLY N N 84 111.431 111.431 109.225 2.206 19942 8290 1 16 . 1 1 84 84 GLY C C 84 171.253 171.253 172.411 -1.158 19942 8291 1 16 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.533 -0.250 19942 8292 1 16 . 1 1 84 84 GLY H H 84 8.957 8.957 8.543 0.414 19942 8293 1 16 . 1 1 85 85 ASN N N 85 114.909 114.909 120.328 -5.419 19942 8294 1 16 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.297 0.602 19942 8295 1 16 . 1 1 85 85 ASN C C 85 174.553 174.553 174.562 -0.009 19942 8296 1 16 . 1 1 85 85 ASN CA C 85 52.794 52.794 51.968 0.826 19942 8297 1 16 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.501 1.645 19942 8298 1 16 . 1 1 85 85 ASN H H 85 8.752 8.752 8.437 0.315 19942 8299 1 16 . 1 1 86 86 THR N N 86 114.501 114.501 116.344 -1.843 19942 8300 1 16 . 1 1 86 86 THR HA H 86 4.677 4.677 4.634 0.043 19942 8301 1 16 . 1 1 86 86 THR C C 86 170.890 170.890 172.688 -1.798 19942 8302 1 16 . 1 1 86 86 THR CA C 86 61.715 61.715 61.122 0.593 19942 8303 1 16 . 1 1 86 86 THR CB C 86 70.636 70.636 70.230 0.406 19942 8304 1 16 . 1 1 86 86 THR H H 86 8.922 8.922 8.340 0.582 19942 8305 1 16 . 1 1 87 87 ILE N N 87 125.857 125.857 123.556 2.301 19942 8306 1 16 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.117 0.425 19942 8307 1 16 . 1 1 87 87 ILE C C 87 175.495 175.495 175.118 0.377 19942 8308 1 16 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.522 0.721 19942 8309 1 16 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.700 0.723 19942 8310 1 16 . 1 1 87 87 ILE H H 87 8.020 8.020 8.298 -0.278 19942 8311 1 16 . 1 1 88 88 LEU N N 88 129.304 129.304 129.203 0.101 19942 8312 1 16 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.837 -0.154 19942 8313 1 16 . 1 1 88 88 LEU C C 88 174.979 174.979 176.042 -1.063 19942 8314 1 16 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.592 0.146 19942 8315 1 16 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.866 -0.230 19942 8316 1 16 . 1 1 88 88 LEU H H 88 8.797 8.797 8.391 0.406 19942 8317 1 16 . 1 1 89 89 THR N N 89 117.751 117.751 116.873 0.878 19942 8318 1 16 . 1 1 89 89 THR HA H 89 4.749 4.749 4.648 0.101 19942 8319 1 16 . 1 1 89 89 THR C C 89 173.269 173.269 173.780 -0.511 19942 8320 1 16 . 1 1 89 89 THR CA C 89 62.794 62.794 61.292 1.502 19942 8321 1 16 . 1 1 89 89 THR CB C 89 70.202 70.202 71.056 -0.854 19942 8322 1 16 . 1 1 89 89 THR H H 89 7.882 7.882 8.119 -0.237 19942 8323 1 16 . 1 1 90 90 VAL N N 90 127.485 127.485 125.764 1.721 19942 8324 1 16 . 1 1 90 90 VAL HA H 90 4.837 4.837 3.984 0.853 19942 8325 1 16 . 1 1 90 90 VAL C C 90 176.460 176.460 174.827 1.633 19942 8326 1 16 . 1 1 90 90 VAL CA C 90 60.411 60.411 63.091 -2.680 19942 8327 1 16 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.189 0.470 19942 8328 1 16 . 1 1 90 90 VAL H H 90 9.139 9.139 8.293 0.846 19942 8329 1 16 . 1 1 91 91 ASN N N 91 126.674 126.674 126.253 0.421 19942 8330 1 16 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.910 -0.071 19942 8331 1 16 . 1 1 91 91 ASN C C 91 174.311 174.311 173.306 1.005 19942 8332 1 16 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.927 0.852 19942 8333 1 16 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.020 -0.243 19942 8334 1 16 . 1 1 91 91 ASN H H 91 8.992 8.992 7.900 1.092 19942 8335 1 16 . 1 1 92 92 LYS N N 92 122.622 122.622 120.620 2.002 19942 8336 1 16 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.586 -0.168 19942 8337 1 16 . 1 1 92 92 LYS C C 92 176.757 176.757 176.693 0.064 19942 8338 1 16 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.114 0.356 19942 8339 1 16 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.431 -0.129 19942 8340 1 16 . 1 1 92 92 LYS H H 92 8.556 8.556 8.554 0.002 19942 8341 1 16 . 1 1 93 93 THR N N 93 119.358 119.358 118.205 1.153 19942 8342 1 16 . 1 1 93 93 THR HA H 93 4.315 4.315 4.377 -0.062 19942 8343 1 16 . 1 1 93 93 THR C C 93 174.018 174.018 173.986 0.032 19942 8344 1 16 . 1 1 93 93 THR CA C 93 62.060 62.060 63.075 -1.015 19942 8345 1 16 . 1 1 93 93 THR CB C 93 69.715 69.715 69.588 0.127 19942 8346 1 16 . 1 1 93 93 THR H H 93 8.439 8.439 8.941 -0.502 19942 8347 1 16 . 1 1 94 94 ASP N N 94 124.142 124.142 120.863 3.279 19942 8348 1 16 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.963 -0.298 19942 8349 1 16 . 1 1 94 94 ASP C C 94 175.464 175.464 175.765 -0.301 19942 8350 1 16 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.868 0.647 19942 8351 1 16 . 1 1 94 94 ASP CB C 94 41.117 41.117 42.482 -1.365 19942 8352 1 16 . 1 1 94 94 ASP H H 94 8.583 8.583 8.354 0.229 19942 8353 1 17 . 1 1 3 3 ALA N N 3 123.810 123.810 123.570 0.240 19942 8354 1 17 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.327 -0.118 19942 8355 1 17 . 1 1 3 3 ALA C C 3 177.476 177.476 177.257 0.219 19942 8356 1 17 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.996 0.454 19942 8357 1 17 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.680 -0.163 19942 8358 1 17 . 1 1 3 3 ALA H H 3 8.387 8.387 7.780 0.607 19942 8359 1 17 . 1 1 4 4 THR N N 4 113.060 113.060 114.006 -0.946 19942 8360 1 17 . 1 1 4 4 THR HA H 4 4.621 4.621 4.648 -0.027 19942 8361 1 17 . 1 1 4 4 THR C C 4 174.426 174.426 174.423 0.003 19942 8362 1 17 . 1 1 4 4 THR CA C 4 60.020 60.020 60.647 -0.627 19942 8363 1 17 . 1 1 4 4 THR CB C 4 71.041 71.041 70.939 0.102 19942 8364 1 17 . 1 1 4 4 THR H H 4 8.593 8.593 8.503 0.090 19942 8365 1 17 . 1 1 5 5 LEU N N 5 125.889 125.889 122.391 3.498 19942 8366 1 17 . 1 1 5 5 LEU HA H 5 3.436 3.436 3.922 -0.486 19942 8367 1 17 . 1 1 5 5 LEU C C 5 175.432 175.432 176.569 -1.137 19942 8368 1 17 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.525 0.666 19942 8369 1 17 . 1 1 5 5 LEU CB C 5 41.259 41.259 43.180 -1.921 19942 8370 1 17 . 1 1 5 5 LEU H H 5 8.888 8.888 8.497 0.391 19942 8371 1 17 . 1 1 6 6 SER N N 6 123.564 123.564 122.571 0.993 19942 8372 1 17 . 1 1 6 6 SER HA H 6 4.574 4.574 4.508 0.066 19942 8373 1 17 . 1 1 6 6 SER C C 6 174.217 174.217 174.620 -0.403 19942 8374 1 17 . 1 1 6 6 SER CA C 6 59.688 59.688 59.401 0.287 19942 8375 1 17 . 1 1 6 6 SER CB C 6 64.300 64.300 64.240 0.060 19942 8376 1 17 . 1 1 6 6 SER H H 6 9.155 9.155 8.869 0.286 19942 8377 1 17 . 1 1 7 7 SER N N 7 112.212 112.212 114.159 -1.947 19942 8378 1 17 . 1 1 7 7 SER HA H 7 4.499 4.499 4.801 -0.302 19942 8379 1 17 . 1 1 7 7 SER C C 7 171.592 171.592 172.363 -0.771 19942 8380 1 17 . 1 1 7 7 SER CA C 7 57.676 57.676 57.542 0.134 19942 8381 1 17 . 1 1 7 7 SER CB C 7 64.795 64.795 65.155 -0.360 19942 8382 1 17 . 1 1 7 7 SER H H 7 7.913 7.913 7.620 0.293 19942 8383 1 17 . 1 1 8 8 ILE N N 8 120.132 120.132 116.259 3.873 19942 8384 1 17 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.915 -0.254 19942 8385 1 17 . 1 1 8 8 ILE C C 8 174.094 174.094 175.028 -0.934 19942 8386 1 17 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.632 0.685 19942 8387 1 17 . 1 1 8 8 ILE CB C 8 42.926 42.926 41.035 1.891 19942 8388 1 17 . 1 1 8 8 ILE H H 8 8.628 8.628 8.189 0.439 19942 8389 1 17 . 1 1 9 9 SER N N 9 120.939 120.939 119.116 1.823 19942 8390 1 17 . 1 1 9 9 SER HA H 9 4.907 4.907 4.847 0.060 19942 8391 1 17 . 1 1 9 9 SER C C 9 173.176 173.176 173.184 -0.008 19942 8392 1 17 . 1 1 9 9 SER CA C 9 56.291 56.291 57.465 -1.174 19942 8393 1 17 . 1 1 9 9 SER CB C 9 65.325 65.325 66.588 -1.263 19942 8394 1 17 . 1 1 9 9 SER H H 9 8.761 8.761 8.773 -0.012 19942 8395 1 17 . 1 1 10 10 ILE N N 10 126.047 126.047 123.631 2.416 19942 8396 1 17 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.455 1.022 19942 8397 1 17 . 1 1 10 10 ILE C C 10 175.259 175.259 176.035 -0.776 19942 8398 1 17 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.926 -1.835 19942 8399 1 17 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.493 0.349 19942 8400 1 17 . 1 1 10 10 ILE H H 10 8.852 8.852 8.527 0.325 19942 8401 1 17 . 1 1 11 11 SER N N 11 122.938 122.938 124.778 -1.840 19942 8402 1 17 . 1 1 11 11 SER HA H 11 4.704 4.704 5.005 -0.301 19942 8403 1 17 . 1 1 11 11 SER C C 11 170.288 170.288 173.025 -2.737 19942 8404 1 17 . 1 1 11 11 SER CA C 11 55.401 55.401 55.992 -0.591 19942 8405 1 17 . 1 1 11 11 SER CB C 11 65.248 65.248 62.356 2.892 19942 8406 1 17 . 1 1 11 11 SER H H 11 9.108 9.108 9.315 -0.207 19942 8407 1 17 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.369 0.328 19942 8408 1 17 . 1 1 12 12 PRO C C 12 175.467 175.467 175.841 -0.374 19942 8409 1 17 . 1 1 12 12 PRO CA C 12 61.456 61.456 64.424 -2.968 19942 8410 1 17 . 1 1 12 12 PRO CB C 12 34.906 34.906 31.965 2.941 19942 8411 1 17 . 1 1 13 13 ILE N N 13 118.003 118.003 119.774 -1.771 19942 8412 1 17 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.210 0.141 19942 8413 1 17 . 1 1 13 13 ILE C C 13 176.535 176.535 175.476 1.059 19942 8414 1 17 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.365 0.727 19942 8415 1 17 . 1 1 13 13 ILE CB C 13 39.233 39.233 37.844 1.389 19942 8416 1 17 . 1 1 13 13 ILE H H 13 8.233 8.233 8.238 -0.005 19942 8417 1 17 . 1 1 14 14 ASN N N 14 122.727 122.727 125.737 -3.010 19942 8418 1 17 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.451 0.325 19942 8419 1 17 . 1 1 14 14 ASN C C 14 175.286 175.286 174.085 1.201 19942 8420 1 17 . 1 1 14 14 ASN CA C 14 53.586 53.586 54.625 -1.039 19942 8421 1 17 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.065 -0.569 19942 8422 1 17 . 1 1 14 14 ASN H H 14 8.501 8.501 8.514 -0.013 19942 8423 1 17 . 1 1 15 15 THR N N 15 114.899 114.899 111.292 3.607 19942 8424 1 17 . 1 1 15 15 THR HA H 15 4.587 4.587 4.567 0.020 19942 8425 1 17 . 1 1 15 15 THR C C 15 173.339 173.339 173.153 0.186 19942 8426 1 17 . 1 1 15 15 THR CA C 15 61.059 61.059 61.577 -0.518 19942 8427 1 17 . 1 1 15 15 THR CB C 15 69.683 69.683 69.969 -0.286 19942 8428 1 17 . 1 1 15 15 THR H H 15 8.878 8.878 8.282 0.596 19942 8429 1 17 . 1 1 16 16 ASN N N 16 119.994 119.994 121.682 -1.688 19942 8430 1 17 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.614 0.200 19942 8431 1 17 . 1 1 16 16 ASN C C 16 173.995 173.995 173.505 0.490 19942 8432 1 17 . 1 1 16 16 ASN CA C 16 52.386 52.386 51.986 0.400 19942 8433 1 17 . 1 1 16 16 ASN CB C 16 41.379 41.379 41.680 -0.301 19942 8434 1 17 . 1 1 16 16 ASN H H 16 8.293 8.293 8.080 0.213 19942 8435 1 17 . 1 1 17 17 ILE N N 17 118.356 118.356 119.884 -1.528 19942 8436 1 17 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.264 0.459 19942 8437 1 17 . 1 1 17 17 ILE C C 17 173.556 173.556 174.359 -0.803 19942 8438 1 17 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.280 -0.789 19942 8439 1 17 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.455 0.982 19942 8440 1 17 . 1 1 17 17 ILE H H 17 8.962 8.962 8.133 0.829 19942 8441 1 17 . 1 1 18 18 ASN N N 18 122.798 122.798 123.690 -0.892 19942 8442 1 17 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.916 0.623 19942 8443 1 17 . 1 1 18 18 ASN C C 18 176.607 176.607 175.070 1.537 19942 8444 1 17 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.578 -0.286 19942 8445 1 17 . 1 1 18 18 ASN CB C 18 39.343 39.343 39.858 -0.515 19942 8446 1 17 . 1 1 18 18 ASN H H 18 8.404 8.404 8.578 -0.174 19942 8447 1 17 . 1 1 19 19 THR C C 19 175.737 175.737 174.290 1.447 19942 8448 1 17 . 1 1 19 19 THR CA C 19 62.695 62.695 63.938 -1.243 19942 8449 1 17 . 1 1 19 19 THR CB C 19 68.758 68.758 68.198 0.560 19942 8450 1 17 . 1 1 20 20 THR N N 20 113.750 113.750 112.977 0.773 19942 8451 1 17 . 1 1 20 20 THR HA H 20 4.281 4.281 3.809 0.472 19942 8452 1 17 . 1 1 20 20 THR C C 20 173.630 173.630 173.306 0.324 19942 8453 1 17 . 1 1 20 20 THR CA C 20 64.559 64.559 62.772 1.787 19942 8454 1 17 . 1 1 20 20 THR CB C 20 69.925 69.925 68.040 1.885 19942 8455 1 17 . 1 1 20 20 THR H H 20 8.400 8.400 8.182 0.218 19942 8456 1 17 . 1 1 21 21 VAL N N 21 124.237 124.237 119.126 5.111 19942 8457 1 17 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.366 -0.118 19942 8458 1 17 . 1 1 21 21 VAL C C 21 175.464 175.464 174.546 0.918 19942 8459 1 17 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.334 1.939 19942 8460 1 17 . 1 1 21 21 VAL H H 21 7.953 7.953 7.507 0.446 19942 8461 1 17 . 1 1 22 22 SER HA H 22 5.542 5.542 4.923 0.619 19942 8462 1 17 . 1 1 22 22 SER C C 22 173.145 173.145 173.954 -0.809 19942 8463 1 17 . 1 1 22 22 SER CA C 22 58.153 58.153 56.963 1.190 19942 8464 1 17 . 1 1 22 22 SER CB C 22 64.768 64.768 63.787 0.981 19942 8465 1 17 . 1 1 23 23 LYS N N 23 124.177 124.177 126.472 -2.295 19942 8466 1 17 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.502 0.008 19942 8467 1 17 . 1 1 23 23 LYS C C 23 173.847 173.847 174.107 -0.260 19942 8468 1 17 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.778 0.173 19942 8469 1 17 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.281 1.635 19942 8470 1 17 . 1 1 23 23 LYS H H 23 9.372 9.372 8.025 1.347 19942 8471 1 17 . 1 1 24 24 GLN N N 24 128.777 128.777 124.387 4.390 19942 8472 1 17 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.330 -0.646 19942 8473 1 17 . 1 1 24 24 GLN C C 24 173.229 173.229 174.024 -0.795 19942 8474 1 17 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.839 2.289 19942 8475 1 17 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.189 -1.671 19942 8476 1 17 . 1 1 24 24 GLN H H 24 8.742 8.742 8.271 0.471 19942 8477 1 17 . 1 1 25 25 PHE N N 25 128.481 128.481 118.543 9.938 19942 8478 1 17 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.621 0.384 19942 8479 1 17 . 1 1 25 25 PHE C C 25 174.268 174.268 173.365 0.903 19942 8480 1 17 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.157 2.201 19942 8481 1 17 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.589 0.244 19942 8482 1 17 . 1 1 25 25 PHE H H 25 7.728 7.728 6.371 1.357 19942 8483 1 17 . 1 1 26 26 PHE N N 26 114.641 114.641 118.532 -3.891 19942 8484 1 17 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.114 0.413 19942 8485 1 17 . 1 1 26 26 PHE C C 26 175.679 175.679 175.049 0.630 19942 8486 1 17 . 1 1 26 26 PHE CA C 26 56.151 56.151 56.025 0.126 19942 8487 1 17 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.650 0.087 19942 8488 1 17 . 1 1 26 26 PHE H H 26 9.354 9.354 7.912 1.442 19942 8489 1 17 . 1 1 27 27 ALA N N 27 123.352 123.352 124.707 -1.355 19942 8490 1 17 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.510 -0.305 19942 8491 1 17 . 1 1 27 27 ALA C C 27 174.966 174.966 175.761 -0.795 19942 8492 1 17 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.297 -0.351 19942 8493 1 17 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.955 -0.065 19942 8494 1 17 . 1 1 27 27 ALA H H 27 8.935 8.935 9.580 -0.645 19942 8495 1 17 . 1 1 28 28 VAL N N 28 122.875 122.875 124.147 -1.272 19942 8496 1 17 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.783 -0.116 19942 8497 1 17 . 1 1 28 28 VAL C C 28 177.371 177.371 175.344 2.027 19942 8498 1 17 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.722 0.492 19942 8499 1 17 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.390 -0.095 19942 8500 1 17 . 1 1 28 28 VAL H H 28 8.933 8.933 8.854 0.079 19942 8501 1 17 . 1 1 29 29 GLY N N 29 118.628 118.628 114.994 3.634 19942 8502 1 17 . 1 1 29 29 GLY C C 29 171.637 171.637 172.384 -0.747 19942 8503 1 17 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.693 1.363 19942 8504 1 17 . 1 1 29 29 GLY H H 29 9.852 9.852 9.108 0.744 19942 8505 1 17 . 1 1 30 30 THR N N 30 119.749 119.749 120.249 -0.500 19942 8506 1 17 . 1 1 30 30 THR HA H 30 5.033 5.033 5.326 -0.293 19942 8507 1 17 . 1 1 30 30 THR C C 30 173.854 173.854 173.824 0.030 19942 8508 1 17 . 1 1 30 30 THR CA C 30 62.384 62.384 61.184 1.200 19942 8509 1 17 . 1 1 30 30 THR CB C 30 69.631 69.631 70.685 -1.054 19942 8510 1 17 . 1 1 30 30 THR H H 30 8.632 8.632 8.468 0.164 19942 8511 1 17 . 1 1 31 31 TYR N N 31 126.778 126.778 126.926 -0.148 19942 8512 1 17 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.878 0.141 19942 8513 1 17 . 1 1 31 31 TYR C C 31 179.438 179.438 178.072 1.366 19942 8514 1 17 . 1 1 31 31 TYR CA C 31 58.012 58.012 58.065 -0.053 19942 8515 1 17 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.628 1.242 19942 8516 1 17 . 1 1 31 31 TYR H H 31 9.411 9.411 8.994 0.417 19942 8517 1 17 . 1 1 32 32 SER N N 32 118.249 118.249 118.662 -0.413 19942 8518 1 17 . 1 1 32 32 SER HA H 32 4.112 4.112 4.214 -0.102 19942 8519 1 17 . 1 1 32 32 SER C C 32 174.175 174.175 175.256 -1.081 19942 8520 1 17 . 1 1 32 32 SER CA C 32 61.407 61.407 60.915 0.492 19942 8521 1 17 . 1 1 32 32 SER CB C 32 62.779 62.779 63.235 -0.456 19942 8522 1 17 . 1 1 32 32 SER H H 32 9.767 9.767 8.626 1.141 19942 8523 1 17 . 1 1 33 33 ASP N N 33 119.614 119.614 119.798 -0.184 19942 8524 1 17 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.694 0.040 19942 8525 1 17 . 1 1 33 33 ASP C C 33 177.097 177.097 177.261 -0.164 19942 8526 1 17 . 1 1 33 33 ASP CA C 33 52.676 52.676 53.422 -0.746 19942 8527 1 17 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.563 -0.042 19942 8528 1 17 . 1 1 33 33 ASP H H 33 7.702 7.702 7.890 -0.188 19942 8529 1 17 . 1 1 34 34 GLY N N 34 108.749 108.749 107.640 1.109 19942 8530 1 17 . 1 1 34 34 GLY C C 34 174.828 174.828 174.479 0.349 19942 8531 1 17 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.496 -0.203 19942 8532 1 17 . 1 1 34 34 GLY H H 34 8.420 8.420 8.497 -0.077 19942 8533 1 17 . 1 1 35 35 THR N N 35 113.544 113.544 115.809 -2.265 19942 8534 1 17 . 1 1 35 35 THR HA H 35 4.297 4.297 4.379 -0.082 19942 8535 1 17 . 1 1 35 35 THR C C 35 173.074 173.074 173.664 -0.590 19942 8536 1 17 . 1 1 35 35 THR CA C 35 62.762 62.762 62.269 0.493 19942 8537 1 17 . 1 1 35 35 THR CB C 35 71.079 71.079 69.979 1.100 19942 8538 1 17 . 1 1 35 35 THR H H 35 7.863 7.863 7.636 0.227 19942 8539 1 17 . 1 1 36 36 LYS N N 36 118.248 118.248 122.752 -4.504 19942 8540 1 17 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.249 0.678 19942 8541 1 17 . 1 1 36 36 LYS C C 36 176.847 176.847 175.325 1.522 19942 8542 1 17 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.118 -0.587 19942 8543 1 17 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.284 1.639 19942 8544 1 17 . 1 1 36 36 LYS H H 36 8.374 8.374 8.396 -0.022 19942 8545 1 17 . 1 1 37 37 ALA N N 37 121.621 121.621 126.116 -4.495 19942 8546 1 17 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.581 0.087 19942 8547 1 17 . 1 1 37 37 ALA C C 37 175.556 175.556 174.720 0.836 19942 8548 1 17 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.602 -0.225 19942 8549 1 17 . 1 1 37 37 ALA CB C 37 23.537 23.537 22.177 1.360 19942 8550 1 17 . 1 1 37 37 ALA H H 37 8.892 8.892 8.688 0.204 19942 8551 1 17 . 1 1 38 38 ASP N N 38 121.602 121.602 121.601 0.001 19942 8552 1 17 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.945 -0.085 19942 8553 1 17 . 1 1 38 38 ASP C C 38 176.487 176.487 176.228 0.259 19942 8554 1 17 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.217 1.017 19942 8555 1 17 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.497 -0.722 19942 8556 1 17 . 1 1 38 38 ASP H H 38 8.983 8.983 8.527 0.456 19942 8557 1 17 . 1 1 39 39 LEU N N 39 128.342 128.342 127.021 1.321 19942 8558 1 17 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.600 0.261 19942 8559 1 17 . 1 1 39 39 LEU C C 39 177.565 177.565 177.667 -0.102 19942 8560 1 17 . 1 1 39 39 LEU CA C 39 53.590 53.590 53.850 -0.260 19942 8561 1 17 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.647 2.286 19942 8562 1 17 . 1 1 39 39 LEU H H 39 9.218 9.218 8.766 0.452 19942 8563 1 17 . 1 1 40 40 THR N N 40 122.567 122.567 117.492 5.075 19942 8564 1 17 . 1 1 40 40 THR HA H 40 4.526 4.526 4.249 0.277 19942 8565 1 17 . 1 1 40 40 THR C C 40 174.562 174.562 176.355 -1.793 19942 8566 1 17 . 1 1 40 40 THR CA C 40 69.870 69.870 68.735 1.135 19942 8567 1 17 . 1 1 40 40 THR CB C 40 69.268 69.268 68.918 0.350 19942 8568 1 17 . 1 1 40 40 THR H H 40 8.983 8.983 9.457 -0.474 19942 8569 1 17 . 1 1 41 41 SER N N 41 109.895 109.895 113.387 -3.492 19942 8570 1 17 . 1 1 41 41 SER HA H 41 4.465 4.465 4.507 -0.042 19942 8571 1 17 . 1 1 41 41 SER C C 41 174.686 174.686 175.487 -0.801 19942 8572 1 17 . 1 1 41 41 SER CA C 41 59.960 59.960 60.682 -0.723 19942 8573 1 17 . 1 1 41 41 SER CB C 41 63.643 63.643 62.786 0.857 19942 8574 1 17 . 1 1 41 41 SER H H 41 8.749 8.749 8.744 0.005 19942 8575 1 17 . 1 1 42 42 SER N N 42 117.037 117.037 118.029 -0.992 19942 8576 1 17 . 1 1 42 42 SER HA H 42 4.706 4.706 4.615 0.091 19942 8577 1 17 . 1 1 42 42 SER C C 42 175.240 175.240 175.196 0.044 19942 8578 1 17 . 1 1 42 42 SER CA C 42 59.742 59.742 59.396 0.346 19942 8579 1 17 . 1 1 42 42 SER CB C 42 64.724 64.724 64.299 0.425 19942 8580 1 17 . 1 1 42 42 SER H H 42 8.056 8.056 8.184 -0.128 19942 8581 1 17 . 1 1 43 43 VAL N N 43 113.914 113.914 118.371 -4.457 19942 8582 1 17 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.616 -0.304 19942 8583 1 17 . 1 1 43 43 VAL C C 43 174.501 174.501 174.504 -0.003 19942 8584 1 17 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.985 0.087 19942 8585 1 17 . 1 1 43 43 VAL CB C 43 32.398 32.398 33.404 -1.006 19942 8586 1 17 . 1 1 43 43 VAL H H 43 7.498 7.498 8.100 -0.602 19942 8587 1 17 . 1 1 44 44 THR N N 44 116.194 116.194 122.160 -5.966 19942 8588 1 17 . 1 1 44 44 THR HA H 44 4.515 4.515 4.700 -0.185 19942 8589 1 17 . 1 1 44 44 THR C C 44 175.110 175.110 174.036 1.074 19942 8590 1 17 . 1 1 44 44 THR CA C 44 62.468 62.468 62.443 0.025 19942 8591 1 17 . 1 1 44 44 THR CB C 44 69.914 69.914 70.162 -0.248 19942 8592 1 17 . 1 1 44 44 THR H H 44 9.020 9.020 8.043 0.977 19942 8593 1 17 . 1 1 45 45 TRP N N 45 133.716 133.716 128.687 5.029 19942 8594 1 17 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.863 0.521 19942 8595 1 17 . 1 1 45 45 TRP C C 45 176.565 176.565 176.350 0.215 19942 8596 1 17 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.336 0.398 19942 8597 1 17 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.895 0.600 19942 8598 1 17 . 1 1 45 45 TRP H H 45 9.667 9.667 8.787 0.880 19942 8599 1 17 . 1 1 46 46 SER N N 46 117.142 117.142 117.884 -0.742 19942 8600 1 17 . 1 1 46 46 SER HA H 46 4.620 4.620 4.759 -0.139 19942 8601 1 17 . 1 1 46 46 SER C C 46 171.333 171.333 172.641 -1.308 19942 8602 1 17 . 1 1 46 46 SER CA C 46 58.013 58.013 57.469 0.544 19942 8603 1 17 . 1 1 46 46 SER CB C 46 65.605 65.605 66.132 -0.527 19942 8604 1 17 . 1 1 46 46 SER H H 46 10.001 10.001 8.326 1.675 19942 8605 1 17 . 1 1 47 47 SER N N 47 112.791 112.791 116.037 -3.246 19942 8606 1 17 . 1 1 47 47 SER HA H 47 5.530 5.530 5.299 0.231 19942 8607 1 17 . 1 1 47 47 SER C C 47 176.141 176.141 174.878 1.263 19942 8608 1 17 . 1 1 47 47 SER CA C 47 53.591 53.591 56.195 -2.604 19942 8609 1 17 . 1 1 47 47 SER CB C 47 66.167 66.167 66.149 0.018 19942 8610 1 17 . 1 1 47 47 SER H H 47 8.594 8.594 8.387 0.207 19942 8611 1 17 . 1 1 48 48 SER N N 48 122.562 122.562 118.877 3.685 19942 8612 1 17 . 1 1 48 48 SER HA H 48 4.289 4.289 4.319 -0.030 19942 8613 1 17 . 1 1 48 48 SER C C 48 174.767 174.767 176.119 -1.352 19942 8614 1 17 . 1 1 48 48 SER CA C 48 60.419 60.419 60.281 0.138 19942 8615 1 17 . 1 1 48 48 SER CB C 48 62.630 62.630 63.463 -0.833 19942 8616 1 17 . 1 1 48 48 SER H H 48 9.685 9.685 8.436 1.249 19942 8617 1 17 . 1 1 49 49 ASN N N 49 118.253 118.253 121.697 -3.444 19942 8618 1 17 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.715 0.018 19942 8619 1 17 . 1 1 49 49 ASN C C 49 175.845 175.845 175.003 0.842 19942 8620 1 17 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.866 0.700 19942 8621 1 17 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.802 1.282 19942 8622 1 17 . 1 1 49 49 ASN H H 49 8.006 8.006 7.894 0.112 19942 8623 1 17 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.303 0.241 19942 8624 1 17 . 1 1 50 50 GLN C C 50 175.944 175.944 177.204 -1.260 19942 8625 1 17 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.345 -0.883 19942 8626 1 17 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.586 0.327 19942 8627 1 17 . 1 1 51 51 SER N N 51 113.229 113.229 113.057 0.172 19942 8628 1 17 . 1 1 51 51 SER HA H 51 4.302 4.302 4.329 -0.027 19942 8629 1 17 . 1 1 51 51 SER C C 51 173.524 173.524 175.848 -2.324 19942 8630 1 17 . 1 1 51 51 SER CA C 51 59.973 59.973 60.619 -0.646 19942 8631 1 17 . 1 1 51 51 SER CB C 51 62.832 62.832 63.104 -0.272 19942 8632 1 17 . 1 1 51 51 SER H H 51 8.205 8.205 8.420 -0.215 19942 8633 1 17 . 1 1 52 52 GLN N N 52 116.510 116.510 119.192 -2.682 19942 8634 1 17 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.481 0.077 19942 8635 1 17 . 1 1 52 52 GLN C C 52 176.697 176.697 173.924 2.773 19942 8636 1 17 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.601 0.515 19942 8637 1 17 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.511 0.073 19942 8638 1 17 . 1 1 52 52 GLN H H 52 7.277 7.277 8.153 -0.876 19942 8639 1 17 . 1 1 53 53 ALA N N 53 119.325 119.325 118.994 0.331 19942 8640 1 17 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.613 0.295 19942 8641 1 17 . 1 1 53 53 ALA C C 53 174.225 174.225 174.905 -0.680 19942 8642 1 17 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.772 0.606 19942 8643 1 17 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.182 -0.086 19942 8644 1 17 . 1 1 53 53 ALA H H 53 8.150 8.150 7.771 0.379 19942 8645 1 17 . 1 1 54 54 LYS N N 54 120.764 120.764 120.892 -0.128 19942 8646 1 17 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.829 0.080 19942 8647 1 17 . 1 1 54 54 LYS C C 54 173.892 173.892 174.934 -1.042 19942 8648 1 17 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.245 -1.484 19942 8649 1 17 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.495 -0.387 19942 8650 1 17 . 1 1 54 54 LYS H H 54 8.397 8.397 7.973 0.424 19942 8651 1 17 . 1 1 55 55 VAL N N 55 118.409 118.409 123.616 -5.207 19942 8652 1 17 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.286 0.647 19942 8653 1 17 . 1 1 55 55 VAL C C 55 172.770 172.770 175.515 -2.745 19942 8654 1 17 . 1 1 55 55 VAL CA C 55 58.070 58.070 62.207 -4.137 19942 8655 1 17 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.726 2.148 19942 8656 1 17 . 1 1 55 55 VAL H H 55 8.748 8.748 8.501 0.247 19942 8657 1 17 . 1 1 56 56 SER N N 56 119.976 119.976 124.865 -4.889 19942 8658 1 17 . 1 1 56 56 SER HA H 56 4.364 4.364 4.653 -0.289 19942 8659 1 17 . 1 1 56 56 SER C C 56 174.635 174.635 172.806 1.829 19942 8660 1 17 . 1 1 56 56 SER CA C 56 57.399 57.399 57.825 -0.426 19942 8661 1 17 . 1 1 56 56 SER CB C 56 63.633 63.633 63.642 -0.009 19942 8662 1 17 . 1 1 56 56 SER H H 56 7.851 7.851 8.572 -0.721 19942 8663 1 17 . 1 1 57 57 ASN N N 57 124.627 124.627 123.892 0.735 19942 8664 1 17 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.857 0.400 19942 8665 1 17 . 1 1 57 57 ASN C C 57 174.450 174.450 174.371 0.079 19942 8666 1 17 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.233 1.155 19942 8667 1 17 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.590 1.940 19942 8668 1 17 . 1 1 57 57 ASN H H 57 9.190 9.190 8.338 0.852 19942 8669 1 17 . 1 1 58 58 ALA N N 58 127.007 127.007 126.144 0.863 19942 8670 1 17 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.684 -0.346 19942 8671 1 17 . 1 1 58 58 ALA C C 58 178.628 178.628 178.695 -0.067 19942 8672 1 17 . 1 1 58 58 ALA CA C 58 52.228 52.228 50.993 1.235 19942 8673 1 17 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.143 -1.234 19942 8674 1 17 . 1 1 58 58 ALA H H 58 8.121 8.121 8.179 -0.058 19942 8675 1 17 . 1 1 59 59 SER N N 59 116.407 116.407 114.575 1.832 19942 8676 1 17 . 1 1 59 59 SER HA H 59 4.888 4.888 4.199 0.689 19942 8677 1 17 . 1 1 59 59 SER C C 59 176.729 176.729 176.182 0.547 19942 8678 1 17 . 1 1 59 59 SER CA C 59 62.500 62.500 61.069 1.431 19942 8679 1 17 . 1 1 59 59 SER CB C 59 63.113 63.113 63.167 -0.054 19942 8680 1 17 . 1 1 59 59 SER H H 59 8.767 8.767 8.780 -0.013 19942 8681 1 17 . 1 1 60 60 GLU N N 60 117.093 117.093 120.770 -3.677 19942 8682 1 17 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.333 -0.101 19942 8683 1 17 . 1 1 60 60 GLU C C 60 177.467 177.467 177.277 0.190 19942 8684 1 17 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.684 1.032 19942 8685 1 17 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.894 -0.283 19942 8686 1 17 . 1 1 60 60 GLU H H 60 9.190 9.190 8.846 0.344 19942 8687 1 17 . 1 1 61 61 THR N N 61 107.270 107.270 108.134 -0.864 19942 8688 1 17 . 1 1 61 61 THR HA H 61 4.820 4.820 4.611 0.209 19942 8689 1 17 . 1 1 61 61 THR C C 61 173.068 173.068 173.835 -0.767 19942 8690 1 17 . 1 1 61 61 THR CA C 61 59.191 59.191 60.225 -1.034 19942 8691 1 17 . 1 1 61 61 THR CB C 61 69.219 69.219 69.638 -0.419 19942 8692 1 17 . 1 1 61 61 THR H H 61 7.369 7.369 7.705 -0.336 19942 8693 1 17 . 1 1 62 62 LYS N N 62 122.917 122.917 123.371 -0.454 19942 8694 1 17 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.177 -0.491 19942 8695 1 17 . 1 1 62 62 LYS C C 62 178.225 178.225 177.021 1.204 19942 8696 1 17 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.943 0.178 19942 8697 1 17 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.720 0.570 19942 8698 1 17 . 1 1 62 62 LYS H H 62 6.924 6.924 7.279 -0.355 19942 8699 1 17 . 1 1 63 63 GLY N N 63 111.784 111.784 110.395 1.389 19942 8700 1 17 . 1 1 63 63 GLY C C 63 171.831 171.831 172.659 -0.828 19942 8701 1 17 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.421 -0.066 19942 8702 1 17 . 1 1 63 63 GLY H H 63 7.966 7.966 8.751 -0.785 19942 8703 1 17 . 1 1 64 64 LEU N N 64 120.854 120.854 120.369 0.485 19942 8704 1 17 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.337 -0.277 19942 8705 1 17 . 1 1 64 64 LEU C C 64 176.666 176.666 174.509 2.157 19942 8706 1 17 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.751 1.812 19942 8707 1 17 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.246 -1.173 19942 8708 1 17 . 1 1 64 64 LEU H H 64 7.785 7.785 7.477 0.308 19942 8709 1 17 . 1 1 65 65 VAL N N 65 135.184 135.184 126.740 8.444 19942 8710 1 17 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.409 0.227 19942 8711 1 17 . 1 1 65 65 VAL C C 65 174.956 174.956 174.502 0.454 19942 8712 1 17 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.983 0.340 19942 8713 1 17 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.968 -2.972 19942 8714 1 17 . 1 1 65 65 VAL H H 65 8.973 8.973 7.876 1.097 19942 8715 1 17 . 1 1 66 66 THR N N 66 121.955 121.955 122.553 -0.598 19942 8716 1 17 . 1 1 66 66 THR HA H 66 4.774 4.774 4.655 0.119 19942 8717 1 17 . 1 1 66 66 THR C C 66 174.266 174.266 173.307 0.959 19942 8718 1 17 . 1 1 66 66 THR CA C 66 61.225 61.225 61.413 -0.188 19942 8719 1 17 . 1 1 66 66 THR CB C 66 71.190 71.190 70.874 0.316 19942 8720 1 17 . 1 1 66 66 THR H H 66 8.947 8.947 8.093 0.854 19942 8721 1 17 . 1 1 67 67 GLY N N 67 114.304 114.304 113.690 0.614 19942 8722 1 17 . 1 1 67 67 GLY C C 67 172.326 172.326 174.288 -1.962 19942 8723 1 17 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.826 2.406 19942 8724 1 17 . 1 1 67 67 GLY H H 67 9.201 9.201 8.289 0.912 19942 8725 1 17 . 1 1 68 68 ILE N N 68 126.492 126.492 125.669 0.823 19942 8726 1 17 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.912 0.211 19942 8727 1 17 . 1 1 68 68 ILE C C 68 175.021 175.021 175.767 -0.746 19942 8728 1 17 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.532 -1.924 19942 8729 1 17 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.404 0.750 19942 8730 1 17 . 1 1 68 68 ILE H H 68 8.927 8.927 7.932 0.995 19942 8731 1 17 . 1 1 69 69 ALA N N 69 122.378 122.378 118.466 3.912 19942 8732 1 17 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.421 -0.026 19942 8733 1 17 . 1 1 69 69 ALA C C 69 174.111 174.111 175.299 -1.188 19942 8734 1 17 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.419 -0.560 19942 8735 1 17 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.202 1.855 19942 8736 1 17 . 1 1 69 69 ALA H H 69 8.413 8.413 7.493 0.920 19942 8737 1 17 . 1 1 70 70 SER N N 70 110.668 110.668 116.970 -6.302 19942 8738 1 17 . 1 1 70 70 SER HA H 70 4.013 4.013 4.498 -0.485 19942 8739 1 17 . 1 1 70 70 SER C C 70 174.180 174.180 173.770 0.410 19942 8740 1 17 . 1 1 70 70 SER CA C 70 58.620 58.620 57.460 1.160 19942 8741 1 17 . 1 1 70 70 SER CB C 70 64.114 64.114 64.322 -0.208 19942 8742 1 17 . 1 1 70 70 SER H H 70 8.109 8.109 7.737 0.372 19942 8743 1 17 . 1 1 71 71 GLY N N 71 108.506 108.506 109.549 -1.043 19942 8744 1 17 . 1 1 71 71 GLY C C 71 170.868 170.868 173.431 -2.563 19942 8745 1 17 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.752 -1.409 19942 8746 1 17 . 1 1 71 71 GLY H H 71 8.055 8.055 8.945 -0.890 19942 8747 1 17 . 1 1 72 72 ASN N N 72 116.234 116.234 118.598 -2.364 19942 8748 1 17 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.437 -0.545 19942 8749 1 17 . 1 1 72 72 ASN C C 72 171.109 171.109 173.103 -1.994 19942 8750 1 17 . 1 1 72 72 ASN CA C 72 51.409 51.409 50.549 0.860 19942 8751 1 17 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.344 -0.372 19942 8752 1 17 . 1 1 72 72 ASN H H 72 8.238 8.238 8.313 -0.075 19942 8753 1 17 . 1 1 73 73 PRO C C 73 173.522 173.522 175.521 -1.999 19942 8754 1 17 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.488 0.834 19942 8755 1 17 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.310 -1.257 19942 8756 1 17 . 1 1 74 74 THR N N 74 115.192 115.192 116.132 -0.940 19942 8757 1 17 . 1 1 74 74 THR HA H 74 4.399 4.399 4.663 -0.264 19942 8758 1 17 . 1 1 74 74 THR C C 74 173.467 173.467 173.295 0.172 19942 8759 1 17 . 1 1 74 74 THR CA C 74 61.852 61.852 61.887 -0.035 19942 8760 1 17 . 1 1 74 74 THR CB C 74 70.609 70.609 71.206 -0.597 19942 8761 1 17 . 1 1 74 74 THR H H 74 8.775 8.775 8.187 0.588 19942 8762 1 17 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.906 -0.023 19942 8763 1 17 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.588 3.199 19942 8764 1 17 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.065 -1.198 19942 8765 1 17 . 1 1 76 76 ILE N N 76 126.694 126.694 127.878 -1.184 19942 8766 1 17 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.391 0.284 19942 8767 1 17 . 1 1 76 76 ILE C C 76 173.870 173.870 174.598 -0.728 19942 8768 1 17 . 1 1 76 76 ILE CA C 76 60.543 60.543 58.440 2.103 19942 8769 1 17 . 1 1 76 76 ILE CB C 76 40.920 40.920 37.913 3.007 19942 8770 1 17 . 1 1 76 76 ILE H H 76 8.982 8.982 8.645 0.337 19942 8771 1 17 . 1 1 77 77 ALA N N 77 126.455 126.455 131.184 -4.729 19942 8772 1 17 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.721 -0.222 19942 8773 1 17 . 1 1 77 77 ALA C C 77 175.857 175.857 175.988 -0.131 19942 8774 1 17 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.876 -0.083 19942 8775 1 17 . 1 1 77 77 ALA CB C 77 21.672 21.672 20.976 0.696 19942 8776 1 17 . 1 1 77 77 ALA H H 77 8.431 8.431 8.515 -0.084 19942 8777 1 17 . 1 1 78 78 THR N N 78 116.767 116.767 122.111 -5.344 19942 8778 1 17 . 1 1 78 78 THR HA H 78 4.849 4.849 4.607 0.242 19942 8779 1 17 . 1 1 78 78 THR C C 78 173.211 173.211 172.545 0.666 19942 8780 1 17 . 1 1 78 78 THR CA C 78 61.343 61.343 61.562 -0.219 19942 8781 1 17 . 1 1 78 78 THR CB C 78 71.627 71.627 70.346 1.281 19942 8782 1 17 . 1 1 78 78 THR H H 78 8.135 8.135 8.147 -0.012 19942 8783 1 17 . 1 1 79 79 TYR N N 79 127.950 127.950 129.286 -1.336 19942 8784 1 17 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.739 -0.110 19942 8785 1 17 . 1 1 79 79 TYR C C 79 174.921 174.921 175.124 -0.203 19942 8786 1 17 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.573 0.933 19942 8787 1 17 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.940 -0.368 19942 8788 1 17 . 1 1 79 79 TYR H H 79 9.136 9.136 8.777 0.359 19942 8789 1 17 . 1 1 80 80 GLY N N 80 118.393 118.393 115.726 2.667 19942 8790 1 17 . 1 1 80 80 GLY C C 80 174.902 174.902 174.363 0.539 19942 8791 1 17 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.103 0.766 19942 8792 1 17 . 1 1 80 80 GLY H H 80 8.786 8.786 8.060 0.726 19942 8793 1 17 . 1 1 81 81 SER N N 81 113.872 113.872 118.373 -4.501 19942 8794 1 17 . 1 1 81 81 SER HA H 81 4.348 4.348 4.536 -0.188 19942 8795 1 17 . 1 1 81 81 SER C C 81 173.279 173.279 173.672 -0.393 19942 8796 1 17 . 1 1 81 81 SER CA C 81 58.658 58.658 58.418 0.240 19942 8797 1 17 . 1 1 81 81 SER CB C 81 63.490 63.490 64.137 -0.647 19942 8798 1 17 . 1 1 81 81 SER H H 81 7.878 7.878 8.223 -0.345 19942 8799 1 17 . 1 1 82 82 VAL N N 82 124.320 124.320 124.065 0.255 19942 8800 1 17 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.284 -0.035 19942 8801 1 17 . 1 1 82 82 VAL C C 82 173.455 173.455 174.062 -0.607 19942 8802 1 17 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.502 0.150 19942 8803 1 17 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.432 -0.966 19942 8804 1 17 . 1 1 82 82 VAL H H 82 7.845 7.845 7.999 -0.154 19942 8805 1 17 . 1 1 83 83 SER N N 83 119.056 119.056 120.590 -1.534 19942 8806 1 17 . 1 1 83 83 SER HA H 83 5.507 5.507 5.117 0.390 19942 8807 1 17 . 1 1 83 83 SER C C 83 173.841 173.841 173.358 0.483 19942 8808 1 17 . 1 1 83 83 SER CA C 83 56.624 56.624 56.568 0.056 19942 8809 1 17 . 1 1 83 83 SER CB C 83 66.733 66.733 66.460 0.272 19942 8810 1 17 . 1 1 83 83 SER H H 83 8.549 8.549 8.411 0.138 19942 8811 1 17 . 1 1 84 84 GLY N N 84 111.431 111.431 107.723 3.708 19942 8812 1 17 . 1 1 84 84 GLY C C 84 171.253 171.253 172.039 -0.786 19942 8813 1 17 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.627 -0.344 19942 8814 1 17 . 1 1 84 84 GLY H H 84 8.957 8.957 8.639 0.318 19942 8815 1 17 . 1 1 85 85 ASN N N 85 114.909 114.909 118.858 -3.949 19942 8816 1 17 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.229 0.670 19942 8817 1 17 . 1 1 85 85 ASN C C 85 174.553 174.553 174.872 -0.319 19942 8818 1 17 . 1 1 85 85 ASN CA C 85 52.794 52.794 51.932 0.862 19942 8819 1 17 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.418 1.728 19942 8820 1 17 . 1 1 85 85 ASN H H 85 8.752 8.752 8.483 0.269 19942 8821 1 17 . 1 1 86 86 THR N N 86 114.501 114.501 112.764 1.737 19942 8822 1 17 . 1 1 86 86 THR HA H 86 4.677 4.677 4.638 0.039 19942 8823 1 17 . 1 1 86 86 THR C C 86 170.890 170.890 173.051 -2.161 19942 8824 1 17 . 1 1 86 86 THR CA C 86 61.715 61.715 60.360 1.355 19942 8825 1 17 . 1 1 86 86 THR CB C 86 70.636 70.636 71.724 -1.088 19942 8826 1 17 . 1 1 86 86 THR H H 86 8.922 8.922 8.365 0.557 19942 8827 1 17 . 1 1 87 87 ILE N N 87 125.857 125.857 122.117 3.740 19942 8828 1 17 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.211 0.331 19942 8829 1 17 . 1 1 87 87 ILE C C 87 175.495 175.495 174.917 0.578 19942 8830 1 17 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.889 0.354 19942 8831 1 17 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.708 0.716 19942 8832 1 17 . 1 1 87 87 ILE H H 87 8.020 8.020 8.340 -0.320 19942 8833 1 17 . 1 1 88 88 LEU N N 88 129.304 129.304 130.518 -1.214 19942 8834 1 17 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.815 -0.132 19942 8835 1 17 . 1 1 88 88 LEU C C 88 174.979 174.979 174.877 0.102 19942 8836 1 17 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.340 0.398 19942 8837 1 17 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.331 0.305 19942 8838 1 17 . 1 1 88 88 LEU H H 88 8.797 8.797 8.192 0.605 19942 8839 1 17 . 1 1 89 89 THR N N 89 117.751 117.751 121.943 -4.192 19942 8840 1 17 . 1 1 89 89 THR HA H 89 4.749 4.749 4.564 0.185 19942 8841 1 17 . 1 1 89 89 THR C C 89 173.269 173.269 172.960 0.309 19942 8842 1 17 . 1 1 89 89 THR CA C 89 62.794 62.794 61.770 1.024 19942 8843 1 17 . 1 1 89 89 THR CB C 89 70.202 70.202 71.645 -1.443 19942 8844 1 17 . 1 1 89 89 THR H H 89 7.882 7.882 8.112 -0.230 19942 8845 1 17 . 1 1 90 90 VAL N N 90 127.485 127.485 126.414 1.071 19942 8846 1 17 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.151 0.686 19942 8847 1 17 . 1 1 90 90 VAL C C 90 176.460 176.460 174.625 1.835 19942 8848 1 17 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.039 -1.628 19942 8849 1 17 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.359 0.300 19942 8850 1 17 . 1 1 90 90 VAL H H 90 9.139 9.139 8.221 0.918 19942 8851 1 17 . 1 1 91 91 ASN N N 91 126.674 126.674 126.057 0.617 19942 8852 1 17 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.841 -0.002 19942 8853 1 17 . 1 1 91 91 ASN C C 91 174.311 174.311 173.749 0.562 19942 8854 1 17 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.702 1.077 19942 8855 1 17 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.805 -1.028 19942 8856 1 17 . 1 1 91 91 ASN H H 91 8.992 8.992 8.282 0.710 19942 8857 1 17 . 1 1 92 92 LYS N N 92 122.622 122.622 125.650 -3.028 19942 8858 1 17 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.478 -0.060 19942 8859 1 17 . 1 1 92 92 LYS C C 92 176.757 176.757 176.482 0.275 19942 8860 1 17 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.223 0.247 19942 8861 1 17 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.569 0.732 19942 8862 1 17 . 1 1 92 92 LYS H H 92 8.556 8.556 8.549 0.007 19942 8863 1 17 . 1 1 93 93 THR N N 93 119.358 119.358 119.239 0.119 19942 8864 1 17 . 1 1 93 93 THR HA H 93 4.315 4.315 3.978 0.337 19942 8865 1 17 . 1 1 93 93 THR C C 93 174.018 174.018 175.106 -1.088 19942 8866 1 17 . 1 1 93 93 THR CA C 93 62.060 62.060 66.832 -4.772 19942 8867 1 17 . 1 1 93 93 THR CB C 93 69.715 69.715 69.157 0.558 19942 8868 1 17 . 1 1 93 93 THR H H 93 8.439 8.439 8.182 0.257 19942 8869 1 17 . 1 1 94 94 ASP N N 94 124.142 124.142 120.601 3.541 19942 8870 1 17 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.773 -0.108 19942 8871 1 17 . 1 1 94 94 ASP C C 94 175.464 175.464 176.332 -0.868 19942 8872 1 17 . 1 1 94 94 ASP CA C 94 54.515 54.515 53.222 1.293 19942 8873 1 17 . 1 1 94 94 ASP CB C 94 41.117 41.117 39.927 1.190 19942 8874 1 17 . 1 1 94 94 ASP H H 94 8.583 8.583 8.398 0.185 19942 8875 1 18 . 1 1 3 3 ALA N N 3 123.810 123.810 124.058 -0.248 19942 8876 1 18 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.485 -0.276 19942 8877 1 18 . 1 1 3 3 ALA C C 3 177.476 177.476 177.460 0.016 19942 8878 1 18 . 1 1 3 3 ALA CA C 3 52.450 52.450 51.785 0.665 19942 8879 1 18 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.623 -0.106 19942 8880 1 18 . 1 1 3 3 ALA H H 3 8.387 8.387 8.275 0.112 19942 8881 1 18 . 1 1 4 4 THR N N 4 113.060 113.060 113.700 -0.640 19942 8882 1 18 . 1 1 4 4 THR HA H 4 4.621 4.621 4.607 0.014 19942 8883 1 18 . 1 1 4 4 THR C C 4 174.426 174.426 173.430 0.996 19942 8884 1 18 . 1 1 4 4 THR CA C 4 60.020 60.020 60.739 -0.719 19942 8885 1 18 . 1 1 4 4 THR CB C 4 71.041 71.041 71.543 -0.503 19942 8886 1 18 . 1 1 4 4 THR H H 4 8.593 8.593 8.377 0.216 19942 8887 1 18 . 1 1 5 5 LEU N N 5 125.889 125.889 123.132 2.757 19942 8888 1 18 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.165 -0.729 19942 8889 1 18 . 1 1 5 5 LEU C C 5 175.432 175.432 176.418 -0.986 19942 8890 1 18 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.306 0.885 19942 8891 1 18 . 1 1 5 5 LEU CB C 5 41.259 41.259 41.091 0.168 19942 8892 1 18 . 1 1 5 5 LEU H H 5 8.888 8.888 8.741 0.147 19942 8893 1 18 . 1 1 6 6 SER N N 6 123.564 123.564 122.567 0.997 19942 8894 1 18 . 1 1 6 6 SER HA H 6 4.574 4.574 4.380 0.194 19942 8895 1 18 . 1 1 6 6 SER C C 6 174.217 174.217 174.573 -0.356 19942 8896 1 18 . 1 1 6 6 SER CA C 6 59.688 59.688 59.901 -0.213 19942 8897 1 18 . 1 1 6 6 SER CB C 6 64.300 64.300 64.043 0.257 19942 8898 1 18 . 1 1 6 6 SER H H 6 9.155 9.155 8.764 0.391 19942 8899 1 18 . 1 1 7 7 SER N N 7 112.212 112.212 112.465 -0.253 19942 8900 1 18 . 1 1 7 7 SER HA H 7 4.499 4.499 4.700 -0.201 19942 8901 1 18 . 1 1 7 7 SER C C 7 171.592 171.592 172.142 -0.550 19942 8902 1 18 . 1 1 7 7 SER CA C 7 57.676 57.676 57.517 0.158 19942 8903 1 18 . 1 1 7 7 SER CB C 7 64.795 64.795 65.339 -0.544 19942 8904 1 18 . 1 1 7 7 SER H H 7 7.913 7.913 7.768 0.145 19942 8905 1 18 . 1 1 8 8 ILE N N 8 120.132 120.132 121.631 -1.499 19942 8906 1 18 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.449 0.212 19942 8907 1 18 . 1 1 8 8 ILE C C 8 174.094 174.094 174.796 -0.702 19942 8908 1 18 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.848 0.469 19942 8909 1 18 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.652 2.274 19942 8910 1 18 . 1 1 8 8 ILE H H 8 8.628 8.628 8.283 0.345 19942 8911 1 18 . 1 1 9 9 SER N N 9 120.939 120.939 123.884 -2.945 19942 8912 1 18 . 1 1 9 9 SER HA H 9 4.907 4.907 4.856 0.051 19942 8913 1 18 . 1 1 9 9 SER C C 9 173.176 173.176 172.774 0.402 19942 8914 1 18 . 1 1 9 9 SER CA C 9 56.291 56.291 56.833 -0.541 19942 8915 1 18 . 1 1 9 9 SER CB C 9 65.325 65.325 66.476 -1.151 19942 8916 1 18 . 1 1 9 9 SER H H 9 8.761 8.761 9.013 -0.252 19942 8917 1 18 . 1 1 10 10 ILE N N 10 126.047 126.047 122.831 3.216 19942 8918 1 18 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.499 0.978 19942 8919 1 18 . 1 1 10 10 ILE C C 10 175.259 175.259 176.196 -0.937 19942 8920 1 18 . 1 1 10 10 ILE CA C 10 59.092 59.092 59.002 0.090 19942 8921 1 18 . 1 1 10 10 ILE CB C 10 39.842 39.842 38.313 1.529 19942 8922 1 18 . 1 1 10 10 ILE H H 10 8.852 8.852 8.476 0.376 19942 8923 1 18 . 1 1 11 11 SER N N 11 122.938 122.938 124.175 -1.237 19942 8924 1 18 . 1 1 11 11 SER HA H 11 4.704 4.704 4.953 -0.249 19942 8925 1 18 . 1 1 11 11 SER C C 11 170.288 170.288 172.768 -2.480 19942 8926 1 18 . 1 1 11 11 SER CA C 11 55.401 55.401 56.502 -1.101 19942 8927 1 18 . 1 1 11 11 SER CB C 11 65.248 65.248 62.682 2.566 19942 8928 1 18 . 1 1 11 11 SER H H 11 9.108 9.108 8.883 0.225 19942 8929 1 18 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.267 0.430 19942 8930 1 18 . 1 1 12 12 PRO C C 12 175.467 175.467 176.538 -1.071 19942 8931 1 18 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.645 -2.189 19942 8932 1 18 . 1 1 12 12 PRO CB C 12 34.906 34.906 31.974 2.932 19942 8933 1 18 . 1 1 13 13 ILE N N 13 118.003 118.003 119.865 -1.862 19942 8934 1 18 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.067 0.284 19942 8935 1 18 . 1 1 13 13 ILE C C 13 176.535 176.535 177.535 -1.000 19942 8936 1 18 . 1 1 13 13 ILE CA C 13 61.092 61.092 59.655 1.437 19942 8937 1 18 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.029 1.204 19942 8938 1 18 . 1 1 13 13 ILE H H 13 8.233 8.233 8.364 -0.131 19942 8939 1 18 . 1 1 14 14 ASN N N 14 122.727 122.727 122.638 0.089 19942 8940 1 18 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.523 0.253 19942 8941 1 18 . 1 1 14 14 ASN C C 14 175.286 175.286 175.686 -0.400 19942 8942 1 18 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.315 -1.729 19942 8943 1 18 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.655 -1.159 19942 8944 1 18 . 1 1 14 14 ASN H H 14 8.501 8.501 8.633 -0.132 19942 8945 1 18 . 1 1 15 15 THR N N 15 114.899 114.899 112.414 2.485 19942 8946 1 18 . 1 1 15 15 THR HA H 15 4.587 4.587 4.395 0.192 19942 8947 1 18 . 1 1 15 15 THR C C 15 173.339 173.339 172.758 0.581 19942 8948 1 18 . 1 1 15 15 THR CA C 15 61.059 61.059 61.708 -0.649 19942 8949 1 18 . 1 1 15 15 THR CB C 15 69.683 69.683 69.288 0.395 19942 8950 1 18 . 1 1 15 15 THR H H 15 8.878 8.878 8.004 0.874 19942 8951 1 18 . 1 1 16 16 ASN N N 16 119.994 119.994 125.068 -5.074 19942 8952 1 18 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.232 0.582 19942 8953 1 18 . 1 1 16 16 ASN C C 16 173.995 173.995 173.366 0.629 19942 8954 1 18 . 1 1 16 16 ASN CA C 16 52.386 52.386 53.051 -0.665 19942 8955 1 18 . 1 1 16 16 ASN CB C 16 41.379 41.379 41.148 0.231 19942 8956 1 18 . 1 1 16 16 ASN H H 16 8.293 8.293 8.205 0.088 19942 8957 1 18 . 1 1 17 17 ILE N N 17 118.356 118.356 123.608 -5.252 19942 8958 1 18 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.344 0.379 19942 8959 1 18 . 1 1 17 17 ILE C C 17 173.556 173.556 173.439 0.117 19942 8960 1 18 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.110 -0.619 19942 8961 1 18 . 1 1 17 17 ILE CB C 17 42.437 42.437 42.389 0.048 19942 8962 1 18 . 1 1 17 17 ILE H H 17 8.962 8.962 8.030 0.932 19942 8963 1 18 . 1 1 18 18 ASN N N 18 122.798 122.798 122.798 0.000 19942 8964 1 18 . 1 1 18 18 ASN HA H 18 5.539 5.539 5.057 0.482 19942 8965 1 18 . 1 1 18 18 ASN C C 18 176.607 176.607 175.229 1.378 19942 8966 1 18 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.154 -0.862 19942 8967 1 18 . 1 1 18 18 ASN CB C 18 39.343 39.343 41.912 -2.569 19942 8968 1 18 . 1 1 18 18 ASN H H 18 8.404 8.404 8.552 -0.148 19942 8969 1 18 . 1 1 19 19 THR C C 19 175.737 175.737 175.386 0.351 19942 8970 1 18 . 1 1 19 19 THR CA C 19 62.695 62.695 63.584 -0.889 19942 8971 1 18 . 1 1 19 19 THR CB C 19 68.758 68.758 69.112 -0.354 19942 8972 1 18 . 1 1 20 20 THR N N 20 113.750 113.750 114.059 -0.309 19942 8973 1 18 . 1 1 20 20 THR HA H 20 4.281 4.281 3.817 0.464 19942 8974 1 18 . 1 1 20 20 THR C C 20 173.630 173.630 173.721 -0.091 19942 8975 1 18 . 1 1 20 20 THR CA C 20 64.559 64.559 64.201 0.358 19942 8976 1 18 . 1 1 20 20 THR CB C 20 69.925 69.925 68.220 1.705 19942 8977 1 18 . 1 1 20 20 THR H H 20 8.400 8.400 8.900 -0.500 19942 8978 1 18 . 1 1 21 21 VAL N N 21 124.237 124.237 120.961 3.276 19942 8979 1 18 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.299 -0.051 19942 8980 1 18 . 1 1 21 21 VAL C C 21 175.464 175.464 174.541 0.923 19942 8981 1 18 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.653 1.620 19942 8982 1 18 . 1 1 21 21 VAL H H 21 7.953 7.953 7.525 0.428 19942 8983 1 18 . 1 1 22 22 SER HA H 22 5.542 5.542 4.819 0.723 19942 8984 1 18 . 1 1 22 22 SER C C 22 173.145 173.145 173.746 -0.601 19942 8985 1 18 . 1 1 22 22 SER CA C 22 58.153 58.153 57.293 0.860 19942 8986 1 18 . 1 1 22 22 SER CB C 22 64.768 64.768 64.053 0.715 19942 8987 1 18 . 1 1 23 23 LYS N N 23 124.177 124.177 127.101 -2.924 19942 8988 1 18 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.444 0.066 19942 8989 1 18 . 1 1 23 23 LYS C C 23 173.847 173.847 174.236 -0.389 19942 8990 1 18 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.819 0.132 19942 8991 1 18 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.109 1.807 19942 8992 1 18 . 1 1 23 23 LYS H H 23 9.372 9.372 7.952 1.420 19942 8993 1 18 . 1 1 24 24 GLN N N 24 128.777 128.777 123.954 4.823 19942 8994 1 18 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.366 -0.682 19942 8995 1 18 . 1 1 24 24 GLN C C 24 173.229 173.229 174.246 -1.017 19942 8996 1 18 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.966 2.162 19942 8997 1 18 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.109 -1.591 19942 8998 1 18 . 1 1 24 24 GLN H H 24 8.742 8.742 8.267 0.475 19942 8999 1 18 . 1 1 25 25 PHE N N 25 128.481 128.481 119.017 9.464 19942 9000 1 18 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.604 0.401 19942 9001 1 18 . 1 1 25 25 PHE C C 25 174.268 174.268 173.422 0.846 19942 9002 1 18 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.430 1.928 19942 9003 1 18 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.534 0.299 19942 9004 1 18 . 1 1 25 25 PHE H H 25 7.728 7.728 6.403 1.325 19942 9005 1 18 . 1 1 26 26 PHE N N 26 114.641 114.641 118.535 -3.894 19942 9006 1 18 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.207 0.320 19942 9007 1 18 . 1 1 26 26 PHE C C 26 175.679 175.679 175.153 0.526 19942 9008 1 18 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.785 0.366 19942 9009 1 18 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.750 -0.013 19942 9010 1 18 . 1 1 26 26 PHE H H 26 9.354 9.354 7.843 1.511 19942 9011 1 18 . 1 1 27 27 ALA N N 27 123.352 123.352 123.953 -0.601 19942 9012 1 18 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.058 0.147 19942 9013 1 18 . 1 1 27 27 ALA C C 27 174.966 174.966 175.395 -0.429 19942 9014 1 18 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.684 -0.737 19942 9015 1 18 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.589 0.301 19942 9016 1 18 . 1 1 27 27 ALA H H 27 8.935 8.935 9.748 -0.813 19942 9017 1 18 . 1 1 28 28 VAL N N 28 122.875 122.875 124.382 -1.507 19942 9018 1 18 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.608 0.059 19942 9019 1 18 . 1 1 28 28 VAL C C 28 177.371 177.371 175.148 2.223 19942 9020 1 18 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.989 0.225 19942 9021 1 18 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.529 -0.234 19942 9022 1 18 . 1 1 28 28 VAL H H 28 8.933 8.933 8.579 0.354 19942 9023 1 18 . 1 1 29 29 GLY N N 29 118.628 118.628 114.182 4.446 19942 9024 1 18 . 1 1 29 29 GLY C C 29 171.637 171.637 172.277 -0.640 19942 9025 1 18 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.652 1.404 19942 9026 1 18 . 1 1 29 29 GLY H H 29 9.852 9.852 8.328 1.524 19942 9027 1 18 . 1 1 30 30 THR N N 30 119.749 119.749 119.224 0.525 19942 9028 1 18 . 1 1 30 30 THR HA H 30 5.033 5.033 5.225 -0.192 19942 9029 1 18 . 1 1 30 30 THR C C 30 173.854 173.854 173.739 0.115 19942 9030 1 18 . 1 1 30 30 THR CA C 30 62.384 62.384 61.091 1.293 19942 9031 1 18 . 1 1 30 30 THR CB C 30 69.631 69.631 70.620 -0.989 19942 9032 1 18 . 1 1 30 30 THR H H 30 8.632 8.632 8.437 0.195 19942 9033 1 18 . 1 1 31 31 TYR N N 31 126.778 126.778 126.146 0.632 19942 9034 1 18 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.915 0.104 19942 9035 1 18 . 1 1 31 31 TYR C C 31 179.438 179.438 178.344 1.094 19942 9036 1 18 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.660 0.352 19942 9037 1 18 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.437 1.433 19942 9038 1 18 . 1 1 31 31 TYR H H 31 9.411 9.411 9.347 0.064 19942 9039 1 18 . 1 1 32 32 SER N N 32 118.249 118.249 118.631 -0.382 19942 9040 1 18 . 1 1 32 32 SER HA H 32 4.112 4.112 4.240 -0.128 19942 9041 1 18 . 1 1 32 32 SER C C 32 174.175 174.175 175.090 -0.915 19942 9042 1 18 . 1 1 32 32 SER CA C 32 61.407 61.407 60.808 0.599 19942 9043 1 18 . 1 1 32 32 SER CB C 32 62.779 62.779 62.992 -0.213 19942 9044 1 18 . 1 1 32 32 SER H H 32 9.767 9.767 8.685 1.082 19942 9045 1 18 . 1 1 33 33 ASP N N 33 119.614 119.614 120.432 -0.818 19942 9046 1 18 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.696 0.038 19942 9047 1 18 . 1 1 33 33 ASP C C 33 177.097 177.097 176.942 0.155 19942 9048 1 18 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.208 -1.532 19942 9049 1 18 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.122 0.399 19942 9050 1 18 . 1 1 33 33 ASP H H 33 7.702 7.702 7.976 -0.274 19942 9051 1 18 . 1 1 34 34 GLY N N 34 108.749 108.749 108.109 0.640 19942 9052 1 18 . 1 1 34 34 GLY C C 34 174.828 174.828 174.358 0.470 19942 9053 1 18 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.522 -0.229 19942 9054 1 18 . 1 1 34 34 GLY H H 34 8.420 8.420 8.523 -0.103 19942 9055 1 18 . 1 1 35 35 THR N N 35 113.544 113.544 115.439 -1.895 19942 9056 1 18 . 1 1 35 35 THR HA H 35 4.297 4.297 4.400 -0.103 19942 9057 1 18 . 1 1 35 35 THR C C 35 173.074 173.074 173.491 -0.417 19942 9058 1 18 . 1 1 35 35 THR CA C 35 62.762 62.762 62.074 0.688 19942 9059 1 18 . 1 1 35 35 THR CB C 35 71.079 71.079 70.197 0.882 19942 9060 1 18 . 1 1 35 35 THR H H 35 7.863 7.863 7.679 0.184 19942 9061 1 18 . 1 1 36 36 LYS N N 36 118.248 118.248 122.083 -3.835 19942 9062 1 18 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.425 0.502 19942 9063 1 18 . 1 1 36 36 LYS C C 36 176.847 176.847 175.331 1.516 19942 9064 1 18 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.159 -0.628 19942 9065 1 18 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.144 0.779 19942 9066 1 18 . 1 1 36 36 LYS H H 36 8.374 8.374 8.455 -0.081 19942 9067 1 18 . 1 1 37 37 ALA N N 37 121.621 121.621 124.384 -2.763 19942 9068 1 18 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.552 0.116 19942 9069 1 18 . 1 1 37 37 ALA C C 37 175.556 175.556 174.641 0.915 19942 9070 1 18 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.868 -0.491 19942 9071 1 18 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.756 1.781 19942 9072 1 18 . 1 1 37 37 ALA H H 37 8.892 8.892 8.471 0.421 19942 9073 1 18 . 1 1 38 38 ASP N N 38 121.602 121.602 120.805 0.797 19942 9074 1 18 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.926 -0.066 19942 9075 1 18 . 1 1 38 38 ASP C C 38 176.487 176.487 176.821 -0.334 19942 9076 1 18 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.329 0.905 19942 9077 1 18 . 1 1 38 38 ASP CB C 38 40.775 40.775 40.918 -0.143 19942 9078 1 18 . 1 1 38 38 ASP H H 38 8.983 8.983 8.495 0.488 19942 9079 1 18 . 1 1 39 39 LEU N N 39 128.342 128.342 126.835 1.507 19942 9080 1 18 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.704 0.157 19942 9081 1 18 . 1 1 39 39 LEU C C 39 177.565 177.565 178.004 -0.439 19942 9082 1 18 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.216 -0.626 19942 9083 1 18 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.695 2.238 19942 9084 1 18 . 1 1 39 39 LEU H H 39 9.218 9.218 8.637 0.581 19942 9085 1 18 . 1 1 40 40 THR N N 40 122.567 122.567 117.748 4.819 19942 9086 1 18 . 1 1 40 40 THR HA H 40 4.526 4.526 4.404 0.122 19942 9087 1 18 . 1 1 40 40 THR C C 40 174.562 174.562 176.233 -1.671 19942 9088 1 18 . 1 1 40 40 THR CA C 40 69.870 69.870 68.171 1.699 19942 9089 1 18 . 1 1 40 40 THR CB C 40 69.268 69.268 69.003 0.265 19942 9090 1 18 . 1 1 40 40 THR H H 40 8.983 8.983 9.535 -0.552 19942 9091 1 18 . 1 1 41 41 SER N N 41 109.895 109.895 114.314 -4.419 19942 9092 1 18 . 1 1 41 41 SER HA H 41 4.465 4.465 4.663 -0.198 19942 9093 1 18 . 1 1 41 41 SER C C 41 174.686 174.686 174.854 -0.168 19942 9094 1 18 . 1 1 41 41 SER CA C 41 59.960 59.960 60.076 -0.116 19942 9095 1 18 . 1 1 41 41 SER CB C 41 63.643 63.643 62.604 1.039 19942 9096 1 18 . 1 1 41 41 SER H H 41 8.749 8.749 8.518 0.231 19942 9097 1 18 . 1 1 42 42 SER N N 42 117.037 117.037 117.802 -0.765 19942 9098 1 18 . 1 1 42 42 SER HA H 42 4.706 4.706 4.723 -0.017 19942 9099 1 18 . 1 1 42 42 SER C C 42 175.240 175.240 175.086 0.154 19942 9100 1 18 . 1 1 42 42 SER CA C 42 59.742 59.742 59.190 0.552 19942 9101 1 18 . 1 1 42 42 SER CB C 42 64.724 64.724 64.778 -0.054 19942 9102 1 18 . 1 1 42 42 SER H H 42 8.056 8.056 8.200 -0.144 19942 9103 1 18 . 1 1 43 43 VAL N N 43 113.914 113.914 119.172 -5.258 19942 9104 1 18 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.725 -0.413 19942 9105 1 18 . 1 1 43 43 VAL C C 43 174.501 174.501 175.117 -0.616 19942 9106 1 18 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.737 0.335 19942 9107 1 18 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.531 -0.133 19942 9108 1 18 . 1 1 43 43 VAL H H 43 7.498 7.498 8.299 -0.801 19942 9109 1 18 . 1 1 44 44 THR N N 44 116.194 116.194 120.822 -4.628 19942 9110 1 18 . 1 1 44 44 THR HA H 44 4.515 4.515 4.702 -0.187 19942 9111 1 18 . 1 1 44 44 THR C C 44 175.110 175.110 174.035 1.075 19942 9112 1 18 . 1 1 44 44 THR CA C 44 62.468 62.468 62.351 0.117 19942 9113 1 18 . 1 1 44 44 THR CB C 44 69.914 69.914 70.018 -0.104 19942 9114 1 18 . 1 1 44 44 THR H H 44 9.020 9.020 8.261 0.759 19942 9115 1 18 . 1 1 45 45 TRP N N 45 133.716 133.716 128.081 5.635 19942 9116 1 18 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.815 0.569 19942 9117 1 18 . 1 1 45 45 TRP C C 45 176.565 176.565 176.002 0.563 19942 9118 1 18 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.664 0.070 19942 9119 1 18 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.640 0.855 19942 9120 1 18 . 1 1 45 45 TRP H H 45 9.667 9.667 8.855 0.812 19942 9121 1 18 . 1 1 46 46 SER N N 46 117.142 117.142 118.044 -0.902 19942 9122 1 18 . 1 1 46 46 SER HA H 46 4.620 4.620 4.843 -0.223 19942 9123 1 18 . 1 1 46 46 SER C C 46 171.333 171.333 172.417 -1.084 19942 9124 1 18 . 1 1 46 46 SER CA C 46 58.013 58.013 57.363 0.650 19942 9125 1 18 . 1 1 46 46 SER CB C 46 65.605 65.605 65.122 0.483 19942 9126 1 18 . 1 1 46 46 SER H H 46 10.001 10.001 8.259 1.742 19942 9127 1 18 . 1 1 47 47 SER N N 47 112.791 112.791 116.433 -3.642 19942 9128 1 18 . 1 1 47 47 SER HA H 47 5.530 5.530 5.476 0.054 19942 9129 1 18 . 1 1 47 47 SER C C 47 176.141 176.141 175.454 0.687 19942 9130 1 18 . 1 1 47 47 SER CA C 47 53.591 53.591 55.958 -2.367 19942 9131 1 18 . 1 1 47 47 SER CB C 47 66.167 66.167 65.300 0.867 19942 9132 1 18 . 1 1 47 47 SER H H 47 8.594 8.594 8.481 0.113 19942 9133 1 18 . 1 1 48 48 SER N N 48 122.562 122.562 119.261 3.301 19942 9134 1 18 . 1 1 48 48 SER HA H 48 4.289 4.289 4.357 -0.068 19942 9135 1 18 . 1 1 48 48 SER C C 48 174.767 174.767 175.636 -0.869 19942 9136 1 18 . 1 1 48 48 SER CA C 48 60.419 60.419 60.658 -0.239 19942 9137 1 18 . 1 1 48 48 SER CB C 48 62.630 62.630 63.409 -0.779 19942 9138 1 18 . 1 1 48 48 SER H H 48 9.685 9.685 8.337 1.348 19942 9139 1 18 . 1 1 49 49 ASN N N 49 118.253 118.253 121.881 -3.628 19942 9140 1 18 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.733 0.000 19942 9141 1 18 . 1 1 49 49 ASN C C 49 175.845 175.845 174.791 1.054 19942 9142 1 18 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.573 -0.007 19942 9143 1 18 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.325 0.759 19942 9144 1 18 . 1 1 49 49 ASN H H 49 8.006 8.006 7.751 0.255 19942 9145 1 18 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.488 0.056 19942 9146 1 18 . 1 1 50 50 GLN C C 50 175.944 175.944 177.809 -1.865 19942 9147 1 18 . 1 1 50 50 GLN CA C 50 57.462 57.462 57.966 -0.504 19942 9148 1 18 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.201 -0.288 19942 9149 1 18 . 1 1 51 51 SER N N 51 113.229 113.229 114.339 -1.110 19942 9150 1 18 . 1 1 51 51 SER HA H 51 4.302 4.302 4.309 -0.007 19942 9151 1 18 . 1 1 51 51 SER C C 51 173.524 173.524 175.132 -1.608 19942 9152 1 18 . 1 1 51 51 SER CA C 51 59.973 59.973 60.046 -0.073 19942 9153 1 18 . 1 1 51 51 SER CB C 51 62.832 62.832 63.247 -0.415 19942 9154 1 18 . 1 1 51 51 SER H H 51 8.205 8.205 8.577 -0.372 19942 9155 1 18 . 1 1 52 52 GLN N N 52 116.510 116.510 117.651 -1.141 19942 9156 1 18 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.486 0.072 19942 9157 1 18 . 1 1 52 52 GLN C C 52 176.697 176.697 174.041 2.656 19942 9158 1 18 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.668 0.448 19942 9159 1 18 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.613 -0.029 19942 9160 1 18 . 1 1 52 52 GLN H H 52 7.277 7.277 8.323 -1.046 19942 9161 1 18 . 1 1 53 53 ALA N N 53 119.325 119.325 119.017 0.308 19942 9162 1 18 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.446 0.462 19942 9163 1 18 . 1 1 53 53 ALA C C 53 174.225 174.225 174.842 -0.617 19942 9164 1 18 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.957 0.421 19942 9165 1 18 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.021 0.075 19942 9166 1 18 . 1 1 53 53 ALA H H 53 8.150 8.150 6.999 1.151 19942 9167 1 18 . 1 1 54 54 LYS N N 54 120.764 120.764 119.478 1.286 19942 9168 1 18 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.843 0.066 19942 9169 1 18 . 1 1 54 54 LYS C C 54 173.892 173.892 174.570 -0.678 19942 9170 1 18 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.135 -1.373 19942 9171 1 18 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.807 -0.699 19942 9172 1 18 . 1 1 54 54 LYS H H 54 8.397 8.397 8.016 0.381 19942 9173 1 18 . 1 1 55 55 VAL N N 55 118.409 118.409 123.090 -4.681 19942 9174 1 18 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.422 0.511 19942 9175 1 18 . 1 1 55 55 VAL C C 55 172.770 172.770 174.645 -1.875 19942 9176 1 18 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.103 -3.033 19942 9177 1 18 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.580 2.294 19942 9178 1 18 . 1 1 55 55 VAL H H 55 8.748 8.748 8.523 0.225 19942 9179 1 18 . 1 1 56 56 SER N N 56 119.976 119.976 124.509 -4.533 19942 9180 1 18 . 1 1 56 56 SER HA H 56 4.364 4.364 4.696 -0.332 19942 9181 1 18 . 1 1 56 56 SER C C 56 174.635 174.635 173.108 1.527 19942 9182 1 18 . 1 1 56 56 SER CA C 56 57.399 57.399 57.489 -0.090 19942 9183 1 18 . 1 1 56 56 SER CB C 56 63.633 63.633 64.447 -0.814 19942 9184 1 18 . 1 1 56 56 SER H H 56 7.851 7.851 8.263 -0.412 19942 9185 1 18 . 1 1 57 57 ASN N N 57 124.627 124.627 126.248 -1.621 19942 9186 1 18 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.849 0.408 19942 9187 1 18 . 1 1 57 57 ASN C C 57 174.450 174.450 174.656 -0.206 19942 9188 1 18 . 1 1 57 57 ASN CA C 57 53.388 53.388 51.891 1.497 19942 9189 1 18 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.701 1.829 19942 9190 1 18 . 1 1 57 57 ASN H H 57 9.190 9.190 8.436 0.754 19942 9191 1 18 . 1 1 58 58 ALA N N 58 127.007 127.007 126.505 0.502 19942 9192 1 18 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.571 -0.233 19942 9193 1 18 . 1 1 58 58 ALA C C 58 178.628 178.628 178.698 -0.070 19942 9194 1 18 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.171 1.057 19942 9195 1 18 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.248 -1.338 19942 9196 1 18 . 1 1 58 58 ALA H H 58 8.121 8.121 8.408 -0.287 19942 9197 1 18 . 1 1 59 59 SER N N 59 116.407 116.407 114.630 1.777 19942 9198 1 18 . 1 1 59 59 SER HA H 59 4.888 4.888 4.240 0.648 19942 9199 1 18 . 1 1 59 59 SER C C 59 176.729 176.729 176.341 0.388 19942 9200 1 18 . 1 1 59 59 SER CA C 59 62.500 62.500 61.242 1.258 19942 9201 1 18 . 1 1 59 59 SER CB C 59 63.113 63.113 62.933 0.180 19942 9202 1 18 . 1 1 59 59 SER H H 59 8.767 8.767 8.789 -0.022 19942 9203 1 18 . 1 1 60 60 GLU N N 60 117.093 117.093 117.806 -0.713 19942 9204 1 18 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.385 -0.153 19942 9205 1 18 . 1 1 60 60 GLU C C 60 177.467 177.467 176.699 0.768 19942 9206 1 18 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.541 1.175 19942 9207 1 18 . 1 1 60 60 GLU CB C 60 29.611 29.611 30.081 -0.470 19942 9208 1 18 . 1 1 60 60 GLU H H 60 9.190 9.190 8.547 0.643 19942 9209 1 18 . 1 1 61 61 THR N N 61 107.270 107.270 108.657 -1.387 19942 9210 1 18 . 1 1 61 61 THR HA H 61 4.820 4.820 4.607 0.213 19942 9211 1 18 . 1 1 61 61 THR C C 61 173.068 173.068 173.718 -0.650 19942 9212 1 18 . 1 1 61 61 THR CA C 61 59.191 59.191 60.070 -0.879 19942 9213 1 18 . 1 1 61 61 THR CB C 61 69.219 69.219 69.244 -0.025 19942 9214 1 18 . 1 1 61 61 THR H H 61 7.369 7.369 7.557 -0.188 19942 9215 1 18 . 1 1 62 62 LYS N N 62 122.917 122.917 123.581 -0.664 19942 9216 1 18 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.201 -0.515 19942 9217 1 18 . 1 1 62 62 LYS C C 62 178.225 178.225 177.030 1.195 19942 9218 1 18 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.327 0.794 19942 9219 1 18 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.112 1.178 19942 9220 1 18 . 1 1 62 62 LYS H H 62 6.924 6.924 7.306 -0.382 19942 9221 1 18 . 1 1 63 63 GLY N N 63 111.784 111.784 110.383 1.401 19942 9222 1 18 . 1 1 63 63 GLY C C 63 171.831 171.831 172.390 -0.559 19942 9223 1 18 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.197 0.158 19942 9224 1 18 . 1 1 63 63 GLY H H 63 7.966 7.966 8.583 -0.617 19942 9225 1 18 . 1 1 64 64 LEU N N 64 120.854 120.854 120.964 -0.110 19942 9226 1 18 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.297 -0.237 19942 9227 1 18 . 1 1 64 64 LEU C C 64 176.666 176.666 174.431 2.235 19942 9228 1 18 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.536 2.027 19942 9229 1 18 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.163 -1.090 19942 9230 1 18 . 1 1 64 64 LEU H H 64 7.785 7.785 7.646 0.139 19942 9231 1 18 . 1 1 65 65 VAL N N 65 135.184 135.184 126.538 8.646 19942 9232 1 18 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.383 0.253 19942 9233 1 18 . 1 1 65 65 VAL C C 65 174.956 174.956 174.440 0.516 19942 9234 1 18 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.640 0.683 19942 9235 1 18 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.657 -2.661 19942 9236 1 18 . 1 1 65 65 VAL H H 65 8.973 8.973 7.773 1.200 19942 9237 1 18 . 1 1 66 66 THR N N 66 121.955 121.955 121.749 0.206 19942 9238 1 18 . 1 1 66 66 THR HA H 66 4.774 4.774 4.587 0.187 19942 9239 1 18 . 1 1 66 66 THR C C 66 174.266 174.266 173.423 0.843 19942 9240 1 18 . 1 1 66 66 THR CA C 66 61.225 61.225 61.551 -0.326 19942 9241 1 18 . 1 1 66 66 THR CB C 66 71.190 71.190 70.418 0.772 19942 9242 1 18 . 1 1 66 66 THR H H 66 8.947 8.947 8.222 0.725 19942 9243 1 18 . 1 1 67 67 GLY N N 67 114.304 114.304 113.625 0.679 19942 9244 1 18 . 1 1 67 67 GLY C C 67 172.326 172.326 174.148 -1.822 19942 9245 1 18 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.842 2.390 19942 9246 1 18 . 1 1 67 67 GLY H H 67 9.201 9.201 8.133 1.068 19942 9247 1 18 . 1 1 68 68 ILE N N 68 126.492 126.492 125.198 1.294 19942 9248 1 18 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.952 0.171 19942 9249 1 18 . 1 1 68 68 ILE C C 68 175.021 175.021 175.844 -0.823 19942 9250 1 18 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.404 -1.796 19942 9251 1 18 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.446 0.709 19942 9252 1 18 . 1 1 68 68 ILE H H 68 8.927 8.927 8.806 0.121 19942 9253 1 18 . 1 1 69 69 ALA N N 69 122.378 122.378 119.219 3.159 19942 9254 1 18 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.471 -0.076 19942 9255 1 18 . 1 1 69 69 ALA C C 69 174.111 174.111 175.289 -1.178 19942 9256 1 18 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.545 -0.686 19942 9257 1 18 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.220 1.837 19942 9258 1 18 . 1 1 69 69 ALA H H 69 8.413 8.413 7.486 0.927 19942 9259 1 18 . 1 1 70 70 SER N N 70 110.668 110.668 116.698 -6.030 19942 9260 1 18 . 1 1 70 70 SER HA H 70 4.013 4.013 4.513 -0.500 19942 9261 1 18 . 1 1 70 70 SER C C 70 174.180 174.180 173.768 0.412 19942 9262 1 18 . 1 1 70 70 SER CA C 70 58.620 58.620 57.396 1.224 19942 9263 1 18 . 1 1 70 70 SER CB C 70 64.114 64.114 64.701 -0.588 19942 9264 1 18 . 1 1 70 70 SER H H 70 8.109 8.109 7.722 0.387 19942 9265 1 18 . 1 1 71 71 GLY N N 71 108.506 108.506 108.008 0.498 19942 9266 1 18 . 1 1 71 71 GLY C C 71 170.868 170.868 173.687 -2.819 19942 9267 1 18 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.496 -1.153 19942 9268 1 18 . 1 1 71 71 GLY H H 71 8.055 8.055 8.509 -0.454 19942 9269 1 18 . 1 1 72 72 ASN N N 72 116.234 116.234 118.234 -2.000 19942 9270 1 18 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.423 -0.531 19942 9271 1 18 . 1 1 72 72 ASN C C 72 171.109 171.109 173.031 -1.922 19942 9272 1 18 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.998 -0.589 19942 9273 1 18 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.986 -1.014 19942 9274 1 18 . 1 1 72 72 ASN H H 72 8.238 8.238 8.239 -0.001 19942 9275 1 18 . 1 1 73 73 PRO C C 73 173.522 173.522 175.998 -2.476 19942 9276 1 18 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.474 0.848 19942 9277 1 18 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.932 -0.879 19942 9278 1 18 . 1 1 74 74 THR N N 74 115.192 115.192 116.909 -1.717 19942 9279 1 18 . 1 1 74 74 THR HA H 74 4.399 4.399 4.851 -0.452 19942 9280 1 18 . 1 1 74 74 THR C C 74 173.467 173.467 173.756 -0.289 19942 9281 1 18 . 1 1 74 74 THR CA C 74 61.852 61.852 62.005 -0.153 19942 9282 1 18 . 1 1 74 74 THR CB C 74 70.609 70.609 70.901 -0.292 19942 9283 1 18 . 1 1 74 74 THR H H 74 8.775 8.775 8.269 0.506 19942 9284 1 18 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.874 0.009 19942 9285 1 18 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.672 3.115 19942 9286 1 18 . 1 1 75 75 ILE CB C 75 36.867 36.867 37.656 -0.789 19942 9287 1 18 . 1 1 76 76 ILE N N 76 126.694 126.694 128.553 -1.859 19942 9288 1 18 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.540 0.135 19942 9289 1 18 . 1 1 76 76 ILE C C 76 173.870 173.870 174.657 -0.787 19942 9290 1 18 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.151 0.391 19942 9291 1 18 . 1 1 76 76 ILE CB C 76 40.920 40.920 38.898 2.022 19942 9292 1 18 . 1 1 76 76 ILE H H 76 8.982 8.982 8.660 0.322 19942 9293 1 18 . 1 1 77 77 ALA N N 77 126.455 126.455 131.325 -4.870 19942 9294 1 18 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.933 -0.434 19942 9295 1 18 . 1 1 77 77 ALA C C 77 175.857 175.857 176.428 -0.571 19942 9296 1 18 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.645 0.148 19942 9297 1 18 . 1 1 77 77 ALA CB C 77 21.672 21.672 20.787 0.885 19942 9298 1 18 . 1 1 77 77 ALA H H 77 8.431 8.431 8.942 -0.511 19942 9299 1 18 . 1 1 78 78 THR N N 78 116.767 116.767 122.179 -5.412 19942 9300 1 18 . 1 1 78 78 THR HA H 78 4.849 4.849 4.571 0.278 19942 9301 1 18 . 1 1 78 78 THR C C 78 173.211 173.211 172.578 0.633 19942 9302 1 18 . 1 1 78 78 THR CA C 78 61.343 61.343 61.981 -0.638 19942 9303 1 18 . 1 1 78 78 THR CB C 78 71.627 71.627 70.676 0.951 19942 9304 1 18 . 1 1 78 78 THR H H 78 8.135 8.135 8.233 -0.098 19942 9305 1 18 . 1 1 79 79 TYR N N 79 127.950 127.950 128.774 -0.824 19942 9306 1 18 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.657 -0.028 19942 9307 1 18 . 1 1 79 79 TYR C C 79 174.921 174.921 174.837 0.084 19942 9308 1 18 . 1 1 79 79 TYR CA C 79 57.506 57.506 57.028 0.478 19942 9309 1 18 . 1 1 79 79 TYR CB C 79 40.572 40.572 39.727 0.845 19942 9310 1 18 . 1 1 79 79 TYR H H 79 9.136 9.136 8.712 0.424 19942 9311 1 18 . 1 1 80 80 GLY N N 80 118.393 118.393 116.482 1.911 19942 9312 1 18 . 1 1 80 80 GLY C C 80 174.902 174.902 174.665 0.237 19942 9313 1 18 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.224 0.645 19942 9314 1 18 . 1 1 80 80 GLY H H 80 8.786 8.786 8.319 0.467 19942 9315 1 18 . 1 1 81 81 SER N N 81 113.872 113.872 118.919 -5.047 19942 9316 1 18 . 1 1 81 81 SER HA H 81 4.348 4.348 4.509 -0.161 19942 9317 1 18 . 1 1 81 81 SER C C 81 173.279 173.279 174.121 -0.842 19942 9318 1 18 . 1 1 81 81 SER CA C 81 58.658 58.658 58.312 0.346 19942 9319 1 18 . 1 1 81 81 SER CB C 81 63.490 63.490 63.790 -0.300 19942 9320 1 18 . 1 1 81 81 SER H H 81 7.878 7.878 8.382 -0.504 19942 9321 1 18 . 1 1 82 82 VAL N N 82 124.320 124.320 124.247 0.073 19942 9322 1 18 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.288 -0.039 19942 9323 1 18 . 1 1 82 82 VAL C C 82 173.455 173.455 174.119 -0.664 19942 9324 1 18 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.776 -0.124 19942 9325 1 18 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.543 -1.077 19942 9326 1 18 . 1 1 82 82 VAL H H 82 7.845 7.845 7.630 0.215 19942 9327 1 18 . 1 1 83 83 SER N N 83 119.056 119.056 120.561 -1.505 19942 9328 1 18 . 1 1 83 83 SER HA H 83 5.507 5.507 5.290 0.217 19942 9329 1 18 . 1 1 83 83 SER C C 83 173.841 173.841 173.480 0.361 19942 9330 1 18 . 1 1 83 83 SER CA C 83 56.624 56.624 56.085 0.539 19942 9331 1 18 . 1 1 83 83 SER CB C 83 66.733 66.733 66.722 0.010 19942 9332 1 18 . 1 1 83 83 SER H H 83 8.549 8.549 8.387 0.162 19942 9333 1 18 . 1 1 84 84 GLY N N 84 111.431 111.431 107.581 3.850 19942 9334 1 18 . 1 1 84 84 GLY C C 84 171.253 171.253 172.295 -1.042 19942 9335 1 18 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.420 -0.137 19942 9336 1 18 . 1 1 84 84 GLY H H 84 8.957 8.957 8.710 0.247 19942 9337 1 18 . 1 1 85 85 ASN N N 85 114.909 114.909 120.128 -5.219 19942 9338 1 18 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.662 0.237 19942 9339 1 18 . 1 1 85 85 ASN C C 85 174.553 174.553 174.708 -0.155 19942 9340 1 18 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.429 0.365 19942 9341 1 18 . 1 1 85 85 ASN CB C 85 43.146 43.146 42.342 0.804 19942 9342 1 18 . 1 1 85 85 ASN H H 85 8.752 8.752 8.498 0.254 19942 9343 1 18 . 1 1 86 86 THR N N 86 114.501 114.501 114.824 -0.323 19942 9344 1 18 . 1 1 86 86 THR HA H 86 4.677 4.677 4.711 -0.034 19942 9345 1 18 . 1 1 86 86 THR C C 86 170.890 170.890 173.293 -2.403 19942 9346 1 18 . 1 1 86 86 THR CA C 86 61.715 61.715 60.510 1.205 19942 9347 1 18 . 1 1 86 86 THR CB C 86 70.636 70.636 70.796 -0.160 19942 9348 1 18 . 1 1 86 86 THR H H 86 8.922 8.922 8.255 0.667 19942 9349 1 18 . 1 1 87 87 ILE N N 87 125.857 125.857 122.287 3.570 19942 9350 1 18 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.114 0.428 19942 9351 1 18 . 1 1 87 87 ILE C C 87 175.495 175.495 175.521 -0.026 19942 9352 1 18 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.778 0.465 19942 9353 1 18 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.593 0.830 19942 9354 1 18 . 1 1 87 87 ILE H H 87 8.020 8.020 8.191 -0.171 19942 9355 1 18 . 1 1 88 88 LEU N N 88 129.304 129.304 130.040 -0.736 19942 9356 1 18 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.667 0.016 19942 9357 1 18 . 1 1 88 88 LEU C C 88 174.979 174.979 175.808 -0.829 19942 9358 1 18 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.544 0.194 19942 9359 1 18 . 1 1 88 88 LEU CB C 88 45.636 45.636 43.170 2.466 19942 9360 1 18 . 1 1 88 88 LEU H H 88 8.797 8.797 8.318 0.479 19942 9361 1 18 . 1 1 89 89 THR N N 89 117.751 117.751 119.844 -2.093 19942 9362 1 18 . 1 1 89 89 THR HA H 89 4.749 4.749 4.862 -0.113 19942 9363 1 18 . 1 1 89 89 THR C C 89 173.269 173.269 173.796 -0.527 19942 9364 1 18 . 1 1 89 89 THR CA C 89 62.794 62.794 61.557 1.236 19942 9365 1 18 . 1 1 89 89 THR CB C 89 70.202 70.202 70.698 -0.496 19942 9366 1 18 . 1 1 89 89 THR H H 89 7.882 7.882 9.142 -1.260 19942 9367 1 18 . 1 1 90 90 VAL N N 90 127.485 127.485 127.351 0.134 19942 9368 1 18 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.100 0.737 19942 9369 1 18 . 1 1 90 90 VAL C C 90 176.460 176.460 174.794 1.666 19942 9370 1 18 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.807 -2.396 19942 9371 1 18 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.198 0.461 19942 9372 1 18 . 1 1 90 90 VAL H H 90 9.139 9.139 8.302 0.837 19942 9373 1 18 . 1 1 91 91 ASN N N 91 126.674 126.674 125.041 1.633 19942 9374 1 18 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.883 -0.044 19942 9375 1 18 . 1 1 91 91 ASN C C 91 174.311 174.311 173.880 0.431 19942 9376 1 18 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.297 1.482 19942 9377 1 18 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.462 -0.685 19942 9378 1 18 . 1 1 91 91 ASN H H 91 8.992 8.992 8.074 0.918 19942 9379 1 18 . 1 1 92 92 LYS N N 92 122.622 122.622 121.393 1.229 19942 9380 1 18 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.487 -0.069 19942 9381 1 18 . 1 1 92 92 LYS C C 92 176.757 176.757 177.302 -0.545 19942 9382 1 18 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.832 -0.362 19942 9383 1 18 . 1 1 92 92 LYS CB C 92 33.302 33.302 32.790 0.512 19942 9384 1 18 . 1 1 92 92 LYS H H 92 8.556 8.556 8.459 0.097 19942 9385 1 18 . 1 1 93 93 THR N N 93 119.358 119.358 115.726 3.632 19942 9386 1 18 . 1 1 93 93 THR HA H 93 4.315 4.315 4.115 0.200 19942 9387 1 18 . 1 1 93 93 THR C C 93 174.018 174.018 174.677 -0.659 19942 9388 1 18 . 1 1 93 93 THR CA C 93 62.060 62.060 65.462 -3.402 19942 9389 1 18 . 1 1 93 93 THR CB C 93 69.715 69.715 69.359 0.356 19942 9390 1 18 . 1 1 93 93 THR H H 93 8.439 8.439 8.553 -0.114 19942 9391 1 18 . 1 1 94 94 ASP N N 94 124.142 124.142 119.621 4.521 19942 9392 1 18 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.814 -0.149 19942 9393 1 18 . 1 1 94 94 ASP C C 94 175.464 175.464 175.297 0.167 19942 9394 1 18 . 1 1 94 94 ASP CA C 94 54.515 54.515 54.003 0.512 19942 9395 1 18 . 1 1 94 94 ASP CB C 94 41.117 41.117 42.000 -0.883 19942 9396 1 18 . 1 1 94 94 ASP H H 94 8.583 8.583 8.282 0.301 19942 9397 1 19 . 1 1 3 3 ALA N N 3 123.810 123.810 125.385 -1.575 19942 9398 1 19 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.298 -0.089 19942 9399 1 19 . 1 1 3 3 ALA C C 3 177.476 177.476 177.084 0.392 19942 9400 1 19 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.038 0.412 19942 9401 1 19 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.601 -0.084 19942 9402 1 19 . 1 1 3 3 ALA H H 3 8.387 8.387 8.110 0.277 19942 9403 1 19 . 1 1 4 4 THR N N 4 113.060 113.060 112.910 0.150 19942 9404 1 19 . 1 1 4 4 THR HA H 4 4.621 4.621 4.672 -0.051 19942 9405 1 19 . 1 1 4 4 THR C C 4 174.426 174.426 172.850 1.576 19942 9406 1 19 . 1 1 4 4 THR CA C 4 60.020 60.020 60.636 -0.616 19942 9407 1 19 . 1 1 4 4 THR CB C 4 71.041 71.041 70.508 0.533 19942 9408 1 19 . 1 1 4 4 THR H H 4 8.593 8.593 8.522 0.071 19942 9409 1 19 . 1 1 5 5 LEU N N 5 125.889 125.889 125.268 0.621 19942 9410 1 19 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.190 -0.754 19942 9411 1 19 . 1 1 5 5 LEU C C 5 175.432 175.432 176.311 -0.879 19942 9412 1 19 . 1 1 5 5 LEU CA C 5 56.191 56.191 54.722 1.469 19942 9413 1 19 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.172 -0.913 19942 9414 1 19 . 1 1 5 5 LEU H H 5 8.888 8.888 8.585 0.303 19942 9415 1 19 . 1 1 6 6 SER N N 6 123.564 123.564 123.651 -0.087 19942 9416 1 19 . 1 1 6 6 SER HA H 6 4.574 4.574 4.417 0.157 19942 9417 1 19 . 1 1 6 6 SER C C 6 174.217 174.217 174.116 0.101 19942 9418 1 19 . 1 1 6 6 SER CA C 6 59.688 59.688 60.348 -0.660 19942 9419 1 19 . 1 1 6 6 SER CB C 6 64.300 64.300 64.031 0.269 19942 9420 1 19 . 1 1 6 6 SER H H 6 9.155 9.155 8.786 0.369 19942 9421 1 19 . 1 1 7 7 SER N N 7 112.212 112.212 111.878 0.334 19942 9422 1 19 . 1 1 7 7 SER HA H 7 4.499 4.499 4.742 -0.243 19942 9423 1 19 . 1 1 7 7 SER C C 7 171.592 171.592 172.127 -0.535 19942 9424 1 19 . 1 1 7 7 SER CA C 7 57.676 57.676 57.594 0.082 19942 9425 1 19 . 1 1 7 7 SER CB C 7 64.795 64.795 64.863 -0.068 19942 9426 1 19 . 1 1 7 7 SER H H 7 7.913 7.913 7.605 0.308 19942 9427 1 19 . 1 1 8 8 ILE N N 8 120.132 120.132 116.939 3.193 19942 9428 1 19 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.775 -0.114 19942 9429 1 19 . 1 1 8 8 ILE C C 8 174.094 174.094 174.715 -0.621 19942 9430 1 19 . 1 1 8 8 ILE CA C 8 60.317 60.317 59.712 0.605 19942 9431 1 19 . 1 1 8 8 ILE CB C 8 42.926 42.926 41.256 1.670 19942 9432 1 19 . 1 1 8 8 ILE H H 8 8.628 8.628 8.104 0.524 19942 9433 1 19 . 1 1 9 9 SER N N 9 120.939 120.939 119.387 1.552 19942 9434 1 19 . 1 1 9 9 SER HA H 9 4.907 4.907 4.850 0.057 19942 9435 1 19 . 1 1 9 9 SER C C 9 173.176 173.176 173.234 -0.058 19942 9436 1 19 . 1 1 9 9 SER CA C 9 56.291 56.291 56.411 -0.120 19942 9437 1 19 . 1 1 9 9 SER CB C 9 65.325 65.325 65.683 -0.358 19942 9438 1 19 . 1 1 9 9 SER H H 9 8.761 8.761 9.046 -0.285 19942 9439 1 19 . 1 1 10 10 ILE N N 10 126.047 126.047 124.378 1.669 19942 9440 1 19 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.581 0.896 19942 9441 1 19 . 1 1 10 10 ILE C C 10 175.259 175.259 176.190 -0.931 19942 9442 1 19 . 1 1 10 10 ILE CA C 10 59.092 59.092 59.270 -0.178 19942 9443 1 19 . 1 1 10 10 ILE CB C 10 39.842 39.842 37.919 1.923 19942 9444 1 19 . 1 1 10 10 ILE H H 10 8.852 8.852 8.542 0.310 19942 9445 1 19 . 1 1 11 11 SER N N 11 122.938 122.938 123.234 -0.296 19942 9446 1 19 . 1 1 11 11 SER HA H 11 4.704 4.704 4.866 -0.162 19942 9447 1 19 . 1 1 11 11 SER C C 11 170.288 170.288 173.063 -2.775 19942 9448 1 19 . 1 1 11 11 SER CA C 11 55.401 55.401 56.658 -1.257 19942 9449 1 19 . 1 1 11 11 SER CB C 11 65.248 65.248 64.137 1.111 19942 9450 1 19 . 1 1 11 11 SER H H 11 9.108 9.108 8.777 0.331 19942 9451 1 19 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.324 0.373 19942 9452 1 19 . 1 1 12 12 PRO C C 12 175.467 175.467 175.895 -0.428 19942 9453 1 19 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.672 -2.216 19942 9454 1 19 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.246 2.660 19942 9455 1 19 . 1 1 13 13 ILE N N 13 118.003 118.003 119.582 -1.579 19942 9456 1 19 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.214 0.137 19942 9457 1 19 . 1 1 13 13 ILE C C 13 176.535 176.535 175.782 0.753 19942 9458 1 19 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.746 0.346 19942 9459 1 19 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.701 -0.468 19942 9460 1 19 . 1 1 13 13 ILE H H 13 8.233 8.233 8.379 -0.146 19942 9461 1 19 . 1 1 14 14 ASN N N 14 122.727 122.727 122.841 -0.114 19942 9462 1 19 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.444 0.332 19942 9463 1 19 . 1 1 14 14 ASN C C 14 175.286 175.286 175.328 -0.042 19942 9464 1 19 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.038 -1.452 19942 9465 1 19 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.064 -0.568 19942 9466 1 19 . 1 1 14 14 ASN H H 14 8.501 8.501 8.792 -0.291 19942 9467 1 19 . 1 1 15 15 THR N N 15 114.899 114.899 117.526 -2.627 19942 9468 1 19 . 1 1 15 15 THR HA H 15 4.587 4.587 4.442 0.145 19942 9469 1 19 . 1 1 15 15 THR C C 15 173.339 173.339 172.800 0.539 19942 9470 1 19 . 1 1 15 15 THR CA C 15 61.059 61.059 61.686 -0.627 19942 9471 1 19 . 1 1 15 15 THR CB C 15 69.683 69.683 69.153 0.530 19942 9472 1 19 . 1 1 15 15 THR H H 15 8.878 8.878 8.445 0.433 19942 9473 1 19 . 1 1 16 16 ASN N N 16 119.994 119.994 123.993 -3.999 19942 9474 1 19 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.533 0.281 19942 9475 1 19 . 1 1 16 16 ASN C C 16 173.995 173.995 173.134 0.861 19942 9476 1 19 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.511 -0.125 19942 9477 1 19 . 1 1 16 16 ASN CB C 16 41.379 41.379 41.175 0.204 19942 9478 1 19 . 1 1 16 16 ASN H H 16 8.293 8.293 8.324 -0.031 19942 9479 1 19 . 1 1 17 17 ILE N N 17 118.356 118.356 120.301 -1.945 19942 9480 1 19 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.226 0.497 19942 9481 1 19 . 1 1 17 17 ILE C C 17 173.556 173.556 174.601 -1.045 19942 9482 1 19 . 1 1 17 17 ILE CA C 17 59.491 59.491 60.406 -0.915 19942 9483 1 19 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.436 1.001 19942 9484 1 19 . 1 1 17 17 ILE H H 17 8.962 8.962 8.245 0.717 19942 9485 1 19 . 1 1 18 18 ASN N N 18 122.798 122.798 124.038 -1.240 19942 9486 1 19 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.904 0.635 19942 9487 1 19 . 1 1 18 18 ASN C C 18 176.607 176.607 175.300 1.307 19942 9488 1 19 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.445 -1.153 19942 9489 1 19 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.049 -0.706 19942 9490 1 19 . 1 1 18 18 ASN H H 18 8.404 8.404 8.467 -0.063 19942 9491 1 19 . 1 1 19 19 THR C C 19 175.737 175.737 174.987 0.750 19942 9492 1 19 . 1 1 19 19 THR CA C 19 62.695 62.695 63.792 -1.097 19942 9493 1 19 . 1 1 19 19 THR CB C 19 68.758 68.758 68.914 -0.156 19942 9494 1 19 . 1 1 20 20 THR N N 20 113.750 113.750 113.437 0.313 19942 9495 1 19 . 1 1 20 20 THR HA H 20 4.281 4.281 3.823 0.458 19942 9496 1 19 . 1 1 20 20 THR C C 20 173.630 173.630 173.663 -0.033 19942 9497 1 19 . 1 1 20 20 THR CA C 20 64.559 64.559 63.379 1.181 19942 9498 1 19 . 1 1 20 20 THR CB C 20 69.925 69.925 67.863 2.062 19942 9499 1 19 . 1 1 20 20 THR H H 20 8.400 8.400 8.550 -0.150 19942 9500 1 19 . 1 1 21 21 VAL N N 21 124.237 124.237 121.272 2.965 19942 9501 1 19 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.293 -0.045 19942 9502 1 19 . 1 1 21 21 VAL C C 21 175.464 175.464 175.080 0.384 19942 9503 1 19 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.815 1.458 19942 9504 1 19 . 1 1 21 21 VAL H H 21 7.953 7.953 7.515 0.438 19942 9505 1 19 . 1 1 22 22 SER HA H 22 5.542 5.542 4.795 0.747 19942 9506 1 19 . 1 1 22 22 SER C C 22 173.145 173.145 173.672 -0.527 19942 9507 1 19 . 1 1 22 22 SER CA C 22 58.153 58.153 57.447 0.706 19942 9508 1 19 . 1 1 22 22 SER CB C 22 64.768 64.768 64.641 0.127 19942 9509 1 19 . 1 1 23 23 LYS N N 23 124.177 124.177 123.315 0.862 19942 9510 1 19 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.449 0.061 19942 9511 1 19 . 1 1 23 23 LYS C C 23 173.847 173.847 174.105 -0.258 19942 9512 1 19 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.729 -0.778 19942 9513 1 19 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.708 1.208 19942 9514 1 19 . 1 1 23 23 LYS H H 23 9.372 9.372 8.010 1.362 19942 9515 1 19 . 1 1 24 24 GLN N N 24 128.777 128.777 125.415 3.362 19942 9516 1 19 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.319 -0.635 19942 9517 1 19 . 1 1 24 24 GLN C C 24 173.229 173.229 174.042 -0.813 19942 9518 1 19 . 1 1 24 24 GLN CA C 24 56.128 56.128 54.154 1.974 19942 9519 1 19 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.088 -1.570 19942 9520 1 19 . 1 1 24 24 GLN H H 24 8.742 8.742 8.277 0.465 19942 9521 1 19 . 1 1 25 25 PHE N N 25 128.481 128.481 118.941 9.540 19942 9522 1 19 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.533 0.472 19942 9523 1 19 . 1 1 25 25 PHE C C 25 174.268 174.268 173.250 1.018 19942 9524 1 19 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.599 1.759 19942 9525 1 19 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.209 0.624 19942 9526 1 19 . 1 1 25 25 PHE H H 25 7.728 7.728 6.390 1.338 19942 9527 1 19 . 1 1 26 26 PHE N N 26 114.641 114.641 118.282 -3.641 19942 9528 1 19 . 1 1 26 26 PHE HA H 26 5.527 5.527 4.979 0.548 19942 9529 1 19 . 1 1 26 26 PHE C C 26 175.679 175.679 175.118 0.561 19942 9530 1 19 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.977 0.174 19942 9531 1 19 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.501 0.236 19942 9532 1 19 . 1 1 26 26 PHE H H 26 9.354 9.354 7.937 1.417 19942 9533 1 19 . 1 1 27 27 ALA N N 27 123.352 123.352 123.447 -0.095 19942 9534 1 19 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.183 0.022 19942 9535 1 19 . 1 1 27 27 ALA C C 27 174.966 174.966 175.612 -0.646 19942 9536 1 19 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.686 -0.740 19942 9537 1 19 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.685 0.205 19942 9538 1 19 . 1 1 27 27 ALA H H 27 8.935 8.935 9.509 -0.574 19942 9539 1 19 . 1 1 28 28 VAL N N 28 122.875 122.875 124.437 -1.562 19942 9540 1 19 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.553 0.114 19942 9541 1 19 . 1 1 28 28 VAL C C 28 177.371 177.371 174.854 2.517 19942 9542 1 19 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.758 0.456 19942 9543 1 19 . 1 1 28 28 VAL CB C 28 34.295 34.295 35.181 -0.886 19942 9544 1 19 . 1 1 28 28 VAL H H 28 8.933 8.933 8.908 0.025 19942 9545 1 19 . 1 1 29 29 GLY N N 29 118.628 118.628 113.550 5.078 19942 9546 1 19 . 1 1 29 29 GLY C C 29 171.637 171.637 172.355 -0.718 19942 9547 1 19 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.613 1.443 19942 9548 1 19 . 1 1 29 29 GLY H H 29 9.852 9.852 8.536 1.316 19942 9549 1 19 . 1 1 30 30 THR N N 30 119.749 119.749 118.828 0.921 19942 9550 1 19 . 1 1 30 30 THR HA H 30 5.033 5.033 5.238 -0.205 19942 9551 1 19 . 1 1 30 30 THR C C 30 173.854 173.854 173.589 0.265 19942 9552 1 19 . 1 1 30 30 THR CA C 30 62.384 62.384 61.733 0.651 19942 9553 1 19 . 1 1 30 30 THR CB C 30 69.631 69.631 71.164 -1.533 19942 9554 1 19 . 1 1 30 30 THR H H 30 8.632 8.632 8.181 0.451 19942 9555 1 19 . 1 1 31 31 TYR N N 31 126.778 126.778 126.539 0.239 19942 9556 1 19 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.980 0.039 19942 9557 1 19 . 1 1 31 31 TYR C C 31 179.438 179.438 178.195 1.243 19942 9558 1 19 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.800 0.213 19942 9559 1 19 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.676 1.194 19942 9560 1 19 . 1 1 31 31 TYR H H 31 9.411 9.411 9.280 0.131 19942 9561 1 19 . 1 1 32 32 SER N N 32 118.249 118.249 118.263 -0.014 19942 9562 1 19 . 1 1 32 32 SER HA H 32 4.112 4.112 4.240 -0.128 19942 9563 1 19 . 1 1 32 32 SER C C 32 174.175 174.175 175.275 -1.100 19942 9564 1 19 . 1 1 32 32 SER CA C 32 61.407 61.407 60.610 0.797 19942 9565 1 19 . 1 1 32 32 SER CB C 32 62.779 62.779 62.975 -0.196 19942 9566 1 19 . 1 1 32 32 SER H H 32 9.767 9.767 8.727 1.040 19942 9567 1 19 . 1 1 33 33 ASP N N 33 119.614 119.614 120.368 -0.754 19942 9568 1 19 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.690 0.044 19942 9569 1 19 . 1 1 33 33 ASP C C 33 177.097 177.097 177.258 -0.161 19942 9570 1 19 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.334 -1.658 19942 9571 1 19 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.181 0.341 19942 9572 1 19 . 1 1 33 33 ASP H H 33 7.702 7.702 8.059 -0.357 19942 9573 1 19 . 1 1 34 34 GLY N N 34 108.749 108.749 107.059 1.690 19942 9574 1 19 . 1 1 34 34 GLY C C 34 174.828 174.828 174.562 0.266 19942 9575 1 19 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.570 -0.277 19942 9576 1 19 . 1 1 34 34 GLY H H 34 8.420 8.420 8.417 0.003 19942 9577 1 19 . 1 1 35 35 THR N N 35 113.544 113.544 116.763 -3.219 19942 9578 1 19 . 1 1 35 35 THR HA H 35 4.297 4.297 4.452 -0.155 19942 9579 1 19 . 1 1 35 35 THR C C 35 173.074 173.074 173.487 -0.413 19942 9580 1 19 . 1 1 35 35 THR CA C 35 62.762 62.762 62.275 0.487 19942 9581 1 19 . 1 1 35 35 THR CB C 35 71.079 71.079 70.153 0.927 19942 9582 1 19 . 1 1 35 35 THR H H 35 7.863 7.863 7.778 0.085 19942 9583 1 19 . 1 1 36 36 LYS N N 36 118.248 118.248 122.601 -4.353 19942 9584 1 19 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.419 0.508 19942 9585 1 19 . 1 1 36 36 LYS C C 36 176.847 176.847 175.319 1.528 19942 9586 1 19 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.111 -0.580 19942 9587 1 19 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.192 0.731 19942 9588 1 19 . 1 1 36 36 LYS H H 36 8.374 8.374 8.468 -0.094 19942 9589 1 19 . 1 1 37 37 ALA N N 37 121.621 121.621 124.431 -2.810 19942 9590 1 19 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.600 0.068 19942 9591 1 19 . 1 1 37 37 ALA C C 37 175.556 175.556 174.777 0.779 19942 9592 1 19 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.621 -0.244 19942 9593 1 19 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.878 1.659 19942 9594 1 19 . 1 1 37 37 ALA H H 37 8.892 8.892 8.517 0.375 19942 9595 1 19 . 1 1 38 38 ASP N N 38 121.602 121.602 121.259 0.343 19942 9596 1 19 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.881 -0.021 19942 9597 1 19 . 1 1 38 38 ASP C C 38 176.487 176.487 176.300 0.187 19942 9598 1 19 . 1 1 38 38 ASP CA C 38 55.234 55.234 53.918 1.316 19942 9599 1 19 . 1 1 38 38 ASP CB C 38 40.775 40.775 40.698 0.077 19942 9600 1 19 . 1 1 38 38 ASP H H 38 8.983 8.983 8.497 0.486 19942 9601 1 19 . 1 1 39 39 LEU N N 39 128.342 128.342 123.286 5.056 19942 9602 1 19 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.676 0.185 19942 9603 1 19 . 1 1 39 39 LEU C C 39 177.565 177.565 177.377 0.188 19942 9604 1 19 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.065 -0.475 19942 9605 1 19 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.683 2.250 19942 9606 1 19 . 1 1 39 39 LEU H H 39 9.218 9.218 8.758 0.460 19942 9607 1 19 . 1 1 40 40 THR N N 40 122.567 122.567 116.750 5.817 19942 9608 1 19 . 1 1 40 40 THR HA H 40 4.526 4.526 4.462 0.064 19942 9609 1 19 . 1 1 40 40 THR C C 40 174.562 174.562 176.304 -1.742 19942 9610 1 19 . 1 1 40 40 THR CA C 40 69.870 69.870 67.160 2.710 19942 9611 1 19 . 1 1 40 40 THR CB C 40 69.268 69.268 68.656 0.612 19942 9612 1 19 . 1 1 40 40 THR H H 40 8.983 8.983 8.413 0.570 19942 9613 1 19 . 1 1 41 41 SER N N 41 109.895 109.895 112.564 -2.669 19942 9614 1 19 . 1 1 41 41 SER HA H 41 4.465 4.465 4.536 -0.071 19942 9615 1 19 . 1 1 41 41 SER C C 41 174.686 174.686 174.928 -0.242 19942 9616 1 19 . 1 1 41 41 SER CA C 41 59.960 59.960 59.589 0.371 19942 9617 1 19 . 1 1 41 41 SER CB C 41 63.643 63.643 63.394 0.249 19942 9618 1 19 . 1 1 41 41 SER H H 41 8.749 8.749 8.634 0.115 19942 9619 1 19 . 1 1 42 42 SER N N 42 117.037 117.037 116.738 0.299 19942 9620 1 19 . 1 1 42 42 SER HA H 42 4.706 4.706 4.727 -0.021 19942 9621 1 19 . 1 1 42 42 SER C C 42 175.240 175.240 175.475 -0.235 19942 9622 1 19 . 1 1 42 42 SER CA C 42 59.742 59.742 59.226 0.516 19942 9623 1 19 . 1 1 42 42 SER CB C 42 64.724 64.724 64.540 0.184 19942 9624 1 19 . 1 1 42 42 SER H H 42 8.056 8.056 7.844 0.212 19942 9625 1 19 . 1 1 43 43 VAL N N 43 113.914 113.914 119.755 -5.841 19942 9626 1 19 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.932 -0.620 19942 9627 1 19 . 1 1 43 43 VAL C C 43 174.501 174.501 175.425 -0.924 19942 9628 1 19 . 1 1 43 43 VAL CA C 43 61.072 61.072 59.923 1.149 19942 9629 1 19 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.594 -0.196 19942 9630 1 19 . 1 1 43 43 VAL H H 43 7.498 7.498 8.136 -0.638 19942 9631 1 19 . 1 1 44 44 THR N N 44 116.194 116.194 120.612 -4.418 19942 9632 1 19 . 1 1 44 44 THR HA H 44 4.515 4.515 4.775 -0.260 19942 9633 1 19 . 1 1 44 44 THR C C 44 175.110 175.110 174.041 1.069 19942 9634 1 19 . 1 1 44 44 THR CA C 44 62.468 62.468 61.822 0.646 19942 9635 1 19 . 1 1 44 44 THR CB C 44 69.914 69.914 70.137 -0.223 19942 9636 1 19 . 1 1 44 44 THR H H 44 9.020 9.020 8.371 0.649 19942 9637 1 19 . 1 1 45 45 TRP N N 45 133.716 133.716 128.468 5.248 19942 9638 1 19 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.826 0.558 19942 9639 1 19 . 1 1 45 45 TRP C C 45 176.565 176.565 176.266 0.299 19942 9640 1 19 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.455 0.279 19942 9641 1 19 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.798 0.697 19942 9642 1 19 . 1 1 45 45 TRP H H 45 9.667 9.667 8.790 0.877 19942 9643 1 19 . 1 1 46 46 SER N N 46 117.142 117.142 117.763 -0.621 19942 9644 1 19 . 1 1 46 46 SER HA H 46 4.620 4.620 4.846 -0.226 19942 9645 1 19 . 1 1 46 46 SER C C 46 171.333 171.333 172.645 -1.312 19942 9646 1 19 . 1 1 46 46 SER CA C 46 58.013 58.013 57.460 0.553 19942 9647 1 19 . 1 1 46 46 SER CB C 46 65.605 65.605 66.742 -1.137 19942 9648 1 19 . 1 1 46 46 SER H H 46 10.001 10.001 8.360 1.641 19942 9649 1 19 . 1 1 47 47 SER N N 47 112.791 112.791 116.295 -3.504 19942 9650 1 19 . 1 1 47 47 SER HA H 47 5.530 5.530 5.379 0.151 19942 9651 1 19 . 1 1 47 47 SER C C 47 176.141 176.141 175.240 0.901 19942 9652 1 19 . 1 1 47 47 SER CA C 47 53.591 53.591 55.110 -1.519 19942 9653 1 19 . 1 1 47 47 SER CB C 47 66.167 66.167 65.900 0.267 19942 9654 1 19 . 1 1 47 47 SER H H 47 8.594 8.594 8.375 0.219 19942 9655 1 19 . 1 1 48 48 SER N N 48 122.562 122.562 119.679 2.883 19942 9656 1 19 . 1 1 48 48 SER HA H 48 4.289 4.289 4.285 0.004 19942 9657 1 19 . 1 1 48 48 SER C C 48 174.767 174.767 176.133 -1.366 19942 9658 1 19 . 1 1 48 48 SER CA C 48 60.419 60.419 60.536 -0.117 19942 9659 1 19 . 1 1 48 48 SER CB C 48 62.630 62.630 63.428 -0.798 19942 9660 1 19 . 1 1 48 48 SER H H 48 9.685 9.685 8.443 1.242 19942 9661 1 19 . 1 1 49 49 ASN N N 49 118.253 118.253 122.367 -4.114 19942 9662 1 19 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.673 0.060 19942 9663 1 19 . 1 1 49 49 ASN C C 49 175.845 175.845 174.974 0.871 19942 9664 1 19 . 1 1 49 49 ASN CA C 49 53.566 53.566 52.995 0.571 19942 9665 1 19 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.452 0.632 19942 9666 1 19 . 1 1 49 49 ASN H H 49 8.006 8.006 7.888 0.118 19942 9667 1 19 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.316 0.228 19942 9668 1 19 . 1 1 50 50 GLN C C 50 175.944 175.944 177.188 -1.244 19942 9669 1 19 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.289 -0.827 19942 9670 1 19 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.747 0.166 19942 9671 1 19 . 1 1 51 51 SER N N 51 113.229 113.229 113.993 -0.764 19942 9672 1 19 . 1 1 51 51 SER HA H 51 4.302 4.302 4.312 -0.010 19942 9673 1 19 . 1 1 51 51 SER C C 51 173.524 173.524 175.341 -1.817 19942 9674 1 19 . 1 1 51 51 SER CA C 51 59.973 59.973 60.726 -0.753 19942 9675 1 19 . 1 1 51 51 SER CB C 51 62.832 62.832 63.379 -0.547 19942 9676 1 19 . 1 1 51 51 SER H H 51 8.205 8.205 8.546 -0.341 19942 9677 1 19 . 1 1 52 52 GLN N N 52 116.510 116.510 117.395 -0.885 19942 9678 1 19 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.484 0.074 19942 9679 1 19 . 1 1 52 52 GLN C C 52 176.697 176.697 174.048 2.649 19942 9680 1 19 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.779 0.337 19942 9681 1 19 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.512 0.072 19942 9682 1 19 . 1 1 52 52 GLN H H 52 7.277 7.277 8.132 -0.855 19942 9683 1 19 . 1 1 53 53 ALA N N 53 119.325 119.325 119.131 0.194 19942 9684 1 19 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.674 0.234 19942 9685 1 19 . 1 1 53 53 ALA C C 53 174.225 174.225 175.005 -0.780 19942 9686 1 19 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.609 0.769 19942 9687 1 19 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.251 -0.155 19942 9688 1 19 . 1 1 53 53 ALA H H 53 8.150 8.150 7.781 0.369 19942 9689 1 19 . 1 1 54 54 LYS N N 54 120.764 120.764 120.464 0.300 19942 9690 1 19 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.839 0.070 19942 9691 1 19 . 1 1 54 54 LYS C C 54 173.892 173.892 174.575 -0.683 19942 9692 1 19 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.128 -1.366 19942 9693 1 19 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.960 -0.852 19942 9694 1 19 . 1 1 54 54 LYS H H 54 8.397 8.397 8.022 0.375 19942 9695 1 19 . 1 1 55 55 VAL N N 55 118.409 118.409 124.054 -5.645 19942 9696 1 19 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.349 0.584 19942 9697 1 19 . 1 1 55 55 VAL C C 55 172.770 172.770 174.833 -2.063 19942 9698 1 19 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.059 -2.989 19942 9699 1 19 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.620 2.254 19942 9700 1 19 . 1 1 55 55 VAL H H 55 8.748 8.748 8.572 0.176 19942 9701 1 19 . 1 1 56 56 SER N N 56 119.976 119.976 124.645 -4.669 19942 9702 1 19 . 1 1 56 56 SER HA H 56 4.364 4.364 4.693 -0.329 19942 9703 1 19 . 1 1 56 56 SER C C 56 174.635 174.635 172.833 1.802 19942 9704 1 19 . 1 1 56 56 SER CA C 56 57.399 57.399 57.903 -0.504 19942 9705 1 19 . 1 1 56 56 SER CB C 56 63.633 63.633 63.645 -0.012 19942 9706 1 19 . 1 1 56 56 SER H H 56 7.851 7.851 8.549 -0.698 19942 9707 1 19 . 1 1 57 57 ASN N N 57 124.627 124.627 123.809 0.818 19942 9708 1 19 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.940 0.317 19942 9709 1 19 . 1 1 57 57 ASN C C 57 174.450 174.450 174.075 0.375 19942 9710 1 19 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.361 1.027 19942 9711 1 19 . 1 1 57 57 ASN CB C 57 41.530 41.530 39.997 1.533 19942 9712 1 19 . 1 1 57 57 ASN H H 57 9.190 9.190 8.320 0.870 19942 9713 1 19 . 1 1 58 58 ALA N N 58 127.007 127.007 125.417 1.590 19942 9714 1 19 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.577 -0.239 19942 9715 1 19 . 1 1 58 58 ALA C C 58 178.628 178.628 178.699 -0.071 19942 9716 1 19 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.289 0.939 19942 9717 1 19 . 1 1 58 58 ALA CB C 58 18.910 18.910 19.916 -1.006 19942 9718 1 19 . 1 1 58 58 ALA H H 58 8.121 8.121 8.669 -0.548 19942 9719 1 19 . 1 1 59 59 SER N N 59 116.407 116.407 114.286 2.121 19942 9720 1 19 . 1 1 59 59 SER HA H 59 4.888 4.888 4.189 0.699 19942 9721 1 19 . 1 1 59 59 SER C C 59 176.729 176.729 176.617 0.112 19942 9722 1 19 . 1 1 59 59 SER CA C 59 62.500 62.500 61.929 0.571 19942 9723 1 19 . 1 1 59 59 SER CB C 59 63.113 63.113 63.191 -0.078 19942 9724 1 19 . 1 1 59 59 SER H H 59 8.767 8.767 8.809 -0.042 19942 9725 1 19 . 1 1 60 60 GLU N N 60 117.093 117.093 119.473 -2.380 19942 9726 1 19 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.304 -0.072 19942 9727 1 19 . 1 1 60 60 GLU C C 60 177.467 177.467 177.319 0.148 19942 9728 1 19 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.228 0.488 19942 9729 1 19 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.870 -0.259 19942 9730 1 19 . 1 1 60 60 GLU H H 60 9.190 9.190 8.806 0.384 19942 9731 1 19 . 1 1 61 61 THR N N 61 107.270 107.270 107.470 -0.200 19942 9732 1 19 . 1 1 61 61 THR HA H 61 4.820 4.820 4.483 0.337 19942 9733 1 19 . 1 1 61 61 THR C C 61 173.068 173.068 174.025 -0.957 19942 9734 1 19 . 1 1 61 61 THR CA C 61 59.191 59.191 60.200 -1.009 19942 9735 1 19 . 1 1 61 61 THR CB C 61 69.219 69.219 68.969 0.250 19942 9736 1 19 . 1 1 61 61 THR H H 61 7.369 7.369 7.352 0.017 19942 9737 1 19 . 1 1 62 62 LYS N N 62 122.917 122.917 122.869 0.048 19942 9738 1 19 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.154 -0.468 19942 9739 1 19 . 1 1 62 62 LYS C C 62 178.225 178.225 177.167 1.058 19942 9740 1 19 . 1 1 62 62 LYS CA C 62 58.121 58.121 58.105 0.016 19942 9741 1 19 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.356 0.934 19942 9742 1 19 . 1 1 62 62 LYS H H 62 6.924 6.924 7.283 -0.359 19942 9743 1 19 . 1 1 63 63 GLY N N 63 111.784 111.784 109.295 2.489 19942 9744 1 19 . 1 1 63 63 GLY C C 63 171.831 171.831 172.234 -0.403 19942 9745 1 19 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.450 -0.095 19942 9746 1 19 . 1 1 63 63 GLY H H 63 7.966 7.966 8.576 -0.610 19942 9747 1 19 . 1 1 64 64 LEU N N 64 120.854 120.854 120.217 0.637 19942 9748 1 19 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.288 -0.228 19942 9749 1 19 . 1 1 64 64 LEU C C 64 176.666 176.666 174.074 2.592 19942 9750 1 19 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.421 2.142 19942 9751 1 19 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.070 -0.997 19942 9752 1 19 . 1 1 64 64 LEU H H 64 7.785 7.785 7.508 0.277 19942 9753 1 19 . 1 1 65 65 VAL N N 65 135.184 135.184 125.267 9.917 19942 9754 1 19 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.367 0.269 19942 9755 1 19 . 1 1 65 65 VAL C C 65 174.956 174.956 174.480 0.476 19942 9756 1 19 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.958 0.365 19942 9757 1 19 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.469 -2.474 19942 9758 1 19 . 1 1 65 65 VAL H H 65 8.973 8.973 7.738 1.235 19942 9759 1 19 . 1 1 66 66 THR N N 66 121.955 121.955 117.495 4.460 19942 9760 1 19 . 1 1 66 66 THR HA H 66 4.774 4.774 4.673 0.101 19942 9761 1 19 . 1 1 66 66 THR C C 66 174.266 174.266 173.913 0.353 19942 9762 1 19 . 1 1 66 66 THR CA C 66 61.225 61.225 59.997 1.228 19942 9763 1 19 . 1 1 66 66 THR CB C 66 71.190 71.190 70.344 0.846 19942 9764 1 19 . 1 1 66 66 THR H H 66 8.947 8.947 8.166 0.781 19942 9765 1 19 . 1 1 67 67 GLY N N 67 114.304 114.304 113.213 1.091 19942 9766 1 19 . 1 1 67 67 GLY C C 67 172.326 172.326 174.169 -1.843 19942 9767 1 19 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.865 2.367 19942 9768 1 19 . 1 1 67 67 GLY H H 67 9.201 9.201 8.228 0.973 19942 9769 1 19 . 1 1 68 68 ILE N N 68 126.492 126.492 125.319 1.173 19942 9770 1 19 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.905 0.218 19942 9771 1 19 . 1 1 68 68 ILE C C 68 175.021 175.021 175.453 -0.432 19942 9772 1 19 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.743 -2.135 19942 9773 1 19 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.471 0.683 19942 9774 1 19 . 1 1 68 68 ILE H H 68 8.927 8.927 7.890 1.037 19942 9775 1 19 . 1 1 69 69 ALA N N 69 122.378 122.378 118.487 3.891 19942 9776 1 19 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.432 -0.037 19942 9777 1 19 . 1 1 69 69 ALA C C 69 174.111 174.111 175.189 -1.078 19942 9778 1 19 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.596 -0.737 19942 9779 1 19 . 1 1 69 69 ALA CB C 69 22.057 22.057 19.916 2.140 19942 9780 1 19 . 1 1 69 69 ALA H H 69 8.413 8.413 7.503 0.910 19942 9781 1 19 . 1 1 70 70 SER N N 70 110.668 110.668 117.416 -6.748 19942 9782 1 19 . 1 1 70 70 SER HA H 70 4.013 4.013 4.712 -0.699 19942 9783 1 19 . 1 1 70 70 SER C C 70 174.180 174.180 173.788 0.392 19942 9784 1 19 . 1 1 70 70 SER CA C 70 58.620 58.620 57.539 1.081 19942 9785 1 19 . 1 1 70 70 SER CB C 70 64.114 64.114 65.067 -0.953 19942 9786 1 19 . 1 1 70 70 SER H H 70 8.109 8.109 7.840 0.269 19942 9787 1 19 . 1 1 71 71 GLY N N 71 108.506 108.506 109.214 -0.708 19942 9788 1 19 . 1 1 71 71 GLY C C 71 170.868 170.868 173.133 -2.265 19942 9789 1 19 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.807 -1.464 19942 9790 1 19 . 1 1 71 71 GLY H H 71 8.055 8.055 8.917 -0.862 19942 9791 1 19 . 1 1 72 72 ASN N N 72 116.234 116.234 119.104 -2.870 19942 9792 1 19 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.371 -0.479 19942 9793 1 19 . 1 1 72 72 ASN C C 72 171.109 171.109 173.019 -1.910 19942 9794 1 19 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.206 0.203 19942 9795 1 19 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.860 -0.888 19942 9796 1 19 . 1 1 72 72 ASN H H 72 8.238 8.238 8.286 -0.048 19942 9797 1 19 . 1 1 73 73 PRO C C 73 173.522 173.522 175.692 -2.170 19942 9798 1 19 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.347 0.975 19942 9799 1 19 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.371 -1.318 19942 9800 1 19 . 1 1 74 74 THR N N 74 115.192 115.192 116.582 -1.390 19942 9801 1 19 . 1 1 74 74 THR HA H 74 4.399 4.399 4.644 -0.245 19942 9802 1 19 . 1 1 74 74 THR C C 74 173.467 173.467 173.584 -0.117 19942 9803 1 19 . 1 1 74 74 THR CA C 74 61.852 61.852 62.441 -0.589 19942 9804 1 19 . 1 1 74 74 THR CB C 74 70.609 70.609 71.195 -0.586 19942 9805 1 19 . 1 1 74 74 THR H H 74 8.775 8.775 7.939 0.836 19942 9806 1 19 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.887 -0.004 19942 9807 1 19 . 1 1 75 75 ILE CA C 75 61.787 61.787 59.975 1.812 19942 9808 1 19 . 1 1 75 75 ILE CB C 75 36.867 36.867 39.115 -2.248 19942 9809 1 19 . 1 1 76 76 ILE N N 76 126.694 126.694 127.606 -0.912 19942 9810 1 19 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.445 0.230 19942 9811 1 19 . 1 1 76 76 ILE C C 76 173.870 173.870 174.404 -0.534 19942 9812 1 19 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.848 0.695 19942 9813 1 19 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.604 0.316 19942 9814 1 19 . 1 1 76 76 ILE H H 76 8.982 8.982 8.402 0.580 19942 9815 1 19 . 1 1 77 77 ALA N N 77 126.455 126.455 130.286 -3.831 19942 9816 1 19 . 1 1 77 77 ALA HA H 77 4.499 4.499 5.113 -0.614 19942 9817 1 19 . 1 1 77 77 ALA C C 77 175.857 175.857 176.092 -0.235 19942 9818 1 19 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.582 0.211 19942 9819 1 19 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.146 0.526 19942 9820 1 19 . 1 1 77 77 ALA H H 77 8.431 8.431 8.595 -0.164 19942 9821 1 19 . 1 1 78 78 THR N N 78 116.767 116.767 120.694 -3.927 19942 9822 1 19 . 1 1 78 78 THR HA H 78 4.849 4.849 4.569 0.280 19942 9823 1 19 . 1 1 78 78 THR C C 78 173.211 173.211 172.583 0.628 19942 9824 1 19 . 1 1 78 78 THR CA C 78 61.343 61.343 61.969 -0.627 19942 9825 1 19 . 1 1 78 78 THR CB C 78 71.627 71.627 70.953 0.674 19942 9826 1 19 . 1 1 78 78 THR H H 78 8.135 8.135 8.332 -0.197 19942 9827 1 19 . 1 1 79 79 TYR N N 79 127.950 127.950 128.650 -0.700 19942 9828 1 19 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.747 -0.118 19942 9829 1 19 . 1 1 79 79 TYR C C 79 174.921 174.921 174.945 -0.024 19942 9830 1 19 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.900 0.606 19942 9831 1 19 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.457 0.115 19942 9832 1 19 . 1 1 79 79 TYR H H 79 9.136 9.136 8.979 0.157 19942 9833 1 19 . 1 1 80 80 GLY N N 80 118.393 118.393 116.040 2.353 19942 9834 1 19 . 1 1 80 80 GLY C C 80 174.902 174.902 174.285 0.617 19942 9835 1 19 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.279 0.590 19942 9836 1 19 . 1 1 80 80 GLY H H 80 8.786 8.786 8.100 0.686 19942 9837 1 19 . 1 1 81 81 SER N N 81 113.872 113.872 119.292 -5.420 19942 9838 1 19 . 1 1 81 81 SER HA H 81 4.348 4.348 4.556 -0.208 19942 9839 1 19 . 1 1 81 81 SER C C 81 173.279 173.279 173.764 -0.485 19942 9840 1 19 . 1 1 81 81 SER CA C 81 58.658 58.658 59.143 -0.485 19942 9841 1 19 . 1 1 81 81 SER CB C 81 63.490 63.490 63.863 -0.373 19942 9842 1 19 . 1 1 81 81 SER H H 81 7.878 7.878 8.233 -0.355 19942 9843 1 19 . 1 1 82 82 VAL N N 82 124.320 124.320 123.513 0.807 19942 9844 1 19 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.388 -0.139 19942 9845 1 19 . 1 1 82 82 VAL C C 82 173.455 173.455 173.966 -0.511 19942 9846 1 19 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.889 -0.237 19942 9847 1 19 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.381 -0.915 19942 9848 1 19 . 1 1 82 82 VAL H H 82 7.845 7.845 7.965 -0.120 19942 9849 1 19 . 1 1 83 83 SER N N 83 119.056 119.056 120.516 -1.460 19942 9850 1 19 . 1 1 83 83 SER HA H 83 5.507 5.507 5.009 0.498 19942 9851 1 19 . 1 1 83 83 SER C C 83 173.841 173.841 173.155 0.686 19942 9852 1 19 . 1 1 83 83 SER CA C 83 56.624 56.624 56.940 -0.316 19942 9853 1 19 . 1 1 83 83 SER CB C 83 66.733 66.733 66.671 0.062 19942 9854 1 19 . 1 1 83 83 SER H H 83 8.549 8.549 8.439 0.110 19942 9855 1 19 . 1 1 84 84 GLY N N 84 111.431 111.431 109.027 2.404 19942 9856 1 19 . 1 1 84 84 GLY C C 84 171.253 171.253 172.296 -1.043 19942 9857 1 19 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.463 -0.180 19942 9858 1 19 . 1 1 84 84 GLY H H 84 8.957 8.957 8.421 0.536 19942 9859 1 19 . 1 1 85 85 ASN N N 85 114.909 114.909 119.677 -4.768 19942 9860 1 19 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.329 0.570 19942 9861 1 19 . 1 1 85 85 ASN C C 85 174.553 174.553 174.907 -0.354 19942 9862 1 19 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.087 0.707 19942 9863 1 19 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.913 1.233 19942 9864 1 19 . 1 1 85 85 ASN H H 85 8.752 8.752 8.412 0.340 19942 9865 1 19 . 1 1 86 86 THR N N 86 114.501 114.501 114.384 0.117 19942 9866 1 19 . 1 1 86 86 THR HA H 86 4.677 4.677 4.631 0.046 19942 9867 1 19 . 1 1 86 86 THR C C 86 170.890 170.890 173.532 -2.642 19942 9868 1 19 . 1 1 86 86 THR CA C 86 61.715 61.715 60.966 0.749 19942 9869 1 19 . 1 1 86 86 THR CB C 86 70.636 70.636 70.635 0.001 19942 9870 1 19 . 1 1 86 86 THR H H 86 8.922 8.922 8.213 0.709 19942 9871 1 19 . 1 1 87 87 ILE N N 87 125.857 125.857 121.508 4.349 19942 9872 1 19 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.242 0.300 19942 9873 1 19 . 1 1 87 87 ILE C C 87 175.495 175.495 175.262 0.233 19942 9874 1 19 . 1 1 87 87 ILE CA C 87 61.243 61.243 59.300 1.943 19942 9875 1 19 . 1 1 87 87 ILE CB C 87 39.423 39.423 37.642 1.780 19942 9876 1 19 . 1 1 87 87 ILE H H 87 8.020 8.020 8.326 -0.306 19942 9877 1 19 . 1 1 88 88 LEU N N 88 129.304 129.304 129.203 0.101 19942 9878 1 19 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.874 -0.191 19942 9879 1 19 . 1 1 88 88 LEU C C 88 174.979 174.979 175.485 -0.506 19942 9880 1 19 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.663 0.075 19942 9881 1 19 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.740 -0.104 19942 9882 1 19 . 1 1 88 88 LEU H H 88 8.797 8.797 8.072 0.725 19942 9883 1 19 . 1 1 89 89 THR N N 89 117.751 117.751 120.132 -2.381 19942 9884 1 19 . 1 1 89 89 THR HA H 89 4.749 4.749 4.662 0.087 19942 9885 1 19 . 1 1 89 89 THR C C 89 173.269 173.269 173.257 0.012 19942 9886 1 19 . 1 1 89 89 THR CA C 89 62.794 62.794 61.619 1.175 19942 9887 1 19 . 1 1 89 89 THR CB C 89 70.202 70.202 71.181 -0.979 19942 9888 1 19 . 1 1 89 89 THR H H 89 7.882 7.882 9.032 -1.150 19942 9889 1 19 . 1 1 90 90 VAL N N 90 127.485 127.485 126.811 0.674 19942 9890 1 19 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.000 0.837 19942 9891 1 19 . 1 1 90 90 VAL C C 90 176.460 176.460 174.511 1.949 19942 9892 1 19 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.792 -2.381 19942 9893 1 19 . 1 1 90 90 VAL CB C 90 31.659 31.659 30.980 0.679 19942 9894 1 19 . 1 1 90 90 VAL H H 90 9.139 9.139 8.774 0.365 19942 9895 1 19 . 1 1 91 91 ASN N N 91 126.674 126.674 126.782 -0.108 19942 9896 1 19 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.894 -0.055 19942 9897 1 19 . 1 1 91 91 ASN C C 91 174.311 174.311 173.648 0.663 19942 9898 1 19 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.496 1.282 19942 9899 1 19 . 1 1 91 91 ASN CB C 91 40.777 40.777 42.771 -1.994 19942 9900 1 19 . 1 1 91 91 ASN H H 91 8.992 8.992 8.144 0.848 19942 9901 1 19 . 1 1 92 92 LYS N N 92 122.622 122.622 121.212 1.410 19942 9902 1 19 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.390 0.028 19942 9903 1 19 . 1 1 92 92 LYS C C 92 176.757 176.757 176.072 0.685 19942 9904 1 19 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.322 0.148 19942 9905 1 19 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.238 0.064 19942 9906 1 19 . 1 1 92 92 LYS H H 92 8.556 8.556 8.498 0.058 19942 9907 1 19 . 1 1 93 93 THR N N 93 119.358 119.358 119.176 0.182 19942 9908 1 19 . 1 1 93 93 THR HA H 93 4.315 4.315 4.479 -0.164 19942 9909 1 19 . 1 1 93 93 THR C C 93 174.018 174.018 174.117 -0.099 19942 9910 1 19 . 1 1 93 93 THR CA C 93 62.060 62.060 61.580 0.480 19942 9911 1 19 . 1 1 93 93 THR CB C 93 69.715 69.715 70.364 -0.649 19942 9912 1 19 . 1 1 93 93 THR H H 93 8.439 8.439 8.471 -0.032 19942 9913 1 19 . 1 1 94 94 ASP N N 94 124.142 124.142 124.440 -0.298 19942 9914 1 19 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.527 0.138 19942 9915 1 19 . 1 1 94 94 ASP C C 94 175.464 175.464 177.106 -1.642 19942 9916 1 19 . 1 1 94 94 ASP CA C 94 54.515 54.515 56.015 -1.500 19942 9917 1 19 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.736 0.382 19942 9918 1 19 . 1 1 94 94 ASP H H 94 8.583 8.583 8.828 -0.245 19942 9919 1 20 . 1 1 3 3 ALA N N 3 123.810 123.810 119.664 4.146 19942 9920 1 20 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.030 0.179 19942 9921 1 20 . 1 1 3 3 ALA C C 3 177.476 177.476 176.491 0.985 19942 9922 1 20 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.476 -0.026 19942 9923 1 20 . 1 1 3 3 ALA CB C 3 19.517 19.517 18.651 0.866 19942 9924 1 20 . 1 1 3 3 ALA H H 3 8.387 8.387 7.871 0.516 19942 9925 1 20 . 1 1 4 4 THR N N 4 113.060 113.060 113.322 -0.262 19942 9926 1 20 . 1 1 4 4 THR HA H 4 4.621 4.621 4.663 -0.042 19942 9927 1 20 . 1 1 4 4 THR C C 4 174.426 174.426 173.319 1.107 19942 9928 1 20 . 1 1 4 4 THR CA C 4 60.020 60.020 60.624 -0.604 19942 9929 1 20 . 1 1 4 4 THR CB C 4 71.041 71.041 70.353 0.688 19942 9930 1 20 . 1 1 4 4 THR H H 4 8.593 8.593 8.502 0.091 19942 9931 1 20 . 1 1 5 5 LEU N N 5 125.889 125.889 124.953 0.936 19942 9932 1 20 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.036 -0.600 19942 9933 1 20 . 1 1 5 5 LEU C C 5 175.432 175.432 175.913 -0.481 19942 9934 1 20 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.598 0.593 19942 9935 1 20 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.384 -1.125 19942 9936 1 20 . 1 1 5 5 LEU H H 5 8.888 8.888 8.565 0.323 19942 9937 1 20 . 1 1 6 6 SER N N 6 123.564 123.564 123.063 0.501 19942 9938 1 20 . 1 1 6 6 SER HA H 6 4.574 4.574 4.384 0.190 19942 9939 1 20 . 1 1 6 6 SER C C 6 174.217 174.217 174.297 -0.080 19942 9940 1 20 . 1 1 6 6 SER CA C 6 59.688 59.688 60.140 -0.452 19942 9941 1 20 . 1 1 6 6 SER CB C 6 64.300 64.300 63.731 0.569 19942 9942 1 20 . 1 1 6 6 SER H H 6 9.155 9.155 9.083 0.072 19942 9943 1 20 . 1 1 7 7 SER N N 7 112.212 112.212 112.063 0.149 19942 9944 1 20 . 1 1 7 7 SER HA H 7 4.499 4.499 4.656 -0.157 19942 9945 1 20 . 1 1 7 7 SER C C 7 171.592 171.592 172.306 -0.714 19942 9946 1 20 . 1 1 7 7 SER CA C 7 57.676 57.676 57.389 0.286 19942 9947 1 20 . 1 1 7 7 SER CB C 7 64.795 64.795 65.024 -0.229 19942 9948 1 20 . 1 1 7 7 SER H H 7 7.913 7.913 7.737 0.176 19942 9949 1 20 . 1 1 8 8 ILE N N 8 120.132 120.132 120.700 -0.568 19942 9950 1 20 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.335 0.326 19942 9951 1 20 . 1 1 8 8 ILE C C 8 174.094 174.094 174.746 -0.652 19942 9952 1 20 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.080 0.237 19942 9953 1 20 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.314 2.612 19942 9954 1 20 . 1 1 8 8 ILE H H 8 8.628 8.628 8.255 0.373 19942 9955 1 20 . 1 1 9 9 SER N N 9 120.939 120.939 123.536 -2.597 19942 9956 1 20 . 1 1 9 9 SER HA H 9 4.907 4.907 4.910 -0.003 19942 9957 1 20 . 1 1 9 9 SER C C 9 173.176 173.176 172.858 0.318 19942 9958 1 20 . 1 1 9 9 SER CA C 9 56.291 56.291 56.535 -0.244 19942 9959 1 20 . 1 1 9 9 SER CB C 9 65.325 65.325 65.752 -0.427 19942 9960 1 20 . 1 1 9 9 SER H H 9 8.761 8.761 8.795 -0.034 19942 9961 1 20 . 1 1 10 10 ILE N N 10 126.047 126.047 125.013 1.034 19942 9962 1 20 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.531 0.946 19942 9963 1 20 . 1 1 10 10 ILE C C 10 175.259 175.259 175.849 -0.590 19942 9964 1 20 . 1 1 10 10 ILE CA C 10 59.092 59.092 60.548 -1.456 19942 9965 1 20 . 1 1 10 10 ILE CB C 10 39.842 39.842 40.153 -0.311 19942 9966 1 20 . 1 1 10 10 ILE H H 10 8.852 8.852 8.539 0.313 19942 9967 1 20 . 1 1 11 11 SER N N 11 122.938 122.938 124.400 -1.462 19942 9968 1 20 . 1 1 11 11 SER HA H 11 4.704 4.704 5.019 -0.315 19942 9969 1 20 . 1 1 11 11 SER C C 11 170.288 170.288 173.012 -2.724 19942 9970 1 20 . 1 1 11 11 SER CA C 11 55.401 55.401 56.316 -0.915 19942 9971 1 20 . 1 1 11 11 SER CB C 11 65.248 65.248 62.728 2.520 19942 9972 1 20 . 1 1 11 11 SER H H 11 9.108 9.108 9.059 0.049 19942 9973 1 20 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.275 0.422 19942 9974 1 20 . 1 1 12 12 PRO C C 12 175.467 175.467 176.457 -0.990 19942 9975 1 20 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.746 -2.290 19942 9976 1 20 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.105 2.801 19942 9977 1 20 . 1 1 13 13 ILE N N 13 118.003 118.003 119.731 -1.728 19942 9978 1 20 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.067 0.284 19942 9979 1 20 . 1 1 13 13 ILE C C 13 176.535 176.535 177.791 -1.256 19942 9980 1 20 . 1 1 13 13 ILE CA C 13 61.092 61.092 61.388 -0.296 19942 9981 1 20 . 1 1 13 13 ILE CB C 13 39.233 39.233 39.157 0.076 19942 9982 1 20 . 1 1 13 13 ILE H H 13 8.233 8.233 8.194 0.039 19942 9983 1 20 . 1 1 14 14 ASN N N 14 122.727 122.727 123.151 -0.424 19942 9984 1 20 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.553 0.223 19942 9985 1 20 . 1 1 14 14 ASN C C 14 175.286 175.286 175.729 -0.443 19942 9986 1 20 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.652 -2.066 19942 9987 1 20 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.443 -0.947 19942 9988 1 20 . 1 1 14 14 ASN H H 14 8.501 8.501 8.783 -0.282 19942 9989 1 20 . 1 1 15 15 THR N N 15 114.899 114.899 113.337 1.562 19942 9990 1 20 . 1 1 15 15 THR HA H 15 4.587 4.587 4.459 0.128 19942 9991 1 20 . 1 1 15 15 THR C C 15 173.339 173.339 172.375 0.964 19942 9992 1 20 . 1 1 15 15 THR CA C 15 61.059 61.059 62.183 -1.124 19942 9993 1 20 . 1 1 15 15 THR CB C 15 69.683 69.683 69.440 0.243 19942 9994 1 20 . 1 1 15 15 THR H H 15 8.878 8.878 8.054 0.824 19942 9995 1 20 . 1 1 16 16 ASN N N 16 119.994 119.994 125.834 -5.840 19942 9996 1 20 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.449 0.365 19942 9997 1 20 . 1 1 16 16 ASN C C 16 173.995 173.995 173.102 0.893 19942 9998 1 20 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.565 -0.179 19942 9999 1 20 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.405 -1.026 19942 10000 1 20 . 1 1 16 16 ASN H H 16 8.293 8.293 8.210 0.083 19942 10001 1 20 . 1 1 17 17 ILE N N 17 118.356 118.356 120.879 -2.523 19942 10002 1 20 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.458 0.265 19942 10003 1 20 . 1 1 17 17 ILE C C 17 173.556 173.556 174.011 -0.455 19942 10004 1 20 . 1 1 17 17 ILE CA C 17 59.491 59.491 58.227 1.264 19942 10005 1 20 . 1 1 17 17 ILE CB C 17 42.437 42.437 40.389 2.048 19942 10006 1 20 . 1 1 17 17 ILE H H 17 8.962 8.962 8.298 0.664 19942 10007 1 20 . 1 1 18 18 ASN N N 18 122.798 122.798 123.859 -1.061 19942 10008 1 20 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.890 0.649 19942 10009 1 20 . 1 1 18 18 ASN C C 18 176.607 176.607 174.453 2.154 19942 10010 1 20 . 1 1 18 18 ASN CA C 18 51.292 51.292 51.582 -0.290 19942 10011 1 20 . 1 1 18 18 ASN CB C 18 39.343 39.343 41.098 -1.755 19942 10012 1 20 . 1 1 18 18 ASN H H 18 8.404 8.404 8.627 -0.223 19942 10013 1 20 . 1 1 19 19 THR C C 19 175.737 175.737 173.798 1.939 19942 10014 1 20 . 1 1 19 19 THR CA C 19 62.695 62.695 63.335 -0.640 19942 10015 1 20 . 1 1 19 19 THR CB C 19 68.758 68.758 68.581 0.177 19942 10016 1 20 . 1 1 20 20 THR N N 20 113.750 113.750 115.873 -2.123 19942 10017 1 20 . 1 1 20 20 THR HA H 20 4.281 4.281 3.873 0.408 19942 10018 1 20 . 1 1 20 20 THR C C 20 173.630 173.630 173.601 0.029 19942 10019 1 20 . 1 1 20 20 THR CA C 20 64.559 64.559 63.492 1.067 19942 10020 1 20 . 1 1 20 20 THR CB C 20 69.925 69.925 67.891 2.034 19942 10021 1 20 . 1 1 20 20 THR H H 20 8.400 8.400 8.568 -0.168 19942 10022 1 20 . 1 1 21 21 VAL N N 21 124.237 124.237 120.381 3.856 19942 10023 1 20 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.403 -0.155 19942 10024 1 20 . 1 1 21 21 VAL C C 21 175.464 175.464 174.221 1.243 19942 10025 1 20 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.470 1.803 19942 10026 1 20 . 1 1 21 21 VAL H H 21 7.953 7.953 7.401 0.552 19942 10027 1 20 . 1 1 22 22 SER HA H 22 5.542 5.542 5.057 0.485 19942 10028 1 20 . 1 1 22 22 SER C C 22 173.145 173.145 173.384 -0.239 19942 10029 1 20 . 1 1 22 22 SER CA C 22 58.153 58.153 57.497 0.656 19942 10030 1 20 . 1 1 22 22 SER CB C 22 64.768 64.768 64.169 0.599 19942 10031 1 20 . 1 1 23 23 LYS N N 23 124.177 124.177 126.019 -1.842 19942 10032 1 20 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.420 0.090 19942 10033 1 20 . 1 1 23 23 LYS C C 23 173.847 173.847 174.224 -0.377 19942 10034 1 20 . 1 1 23 23 LYS CA C 23 54.951 54.951 54.918 0.033 19942 10035 1 20 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.017 1.899 19942 10036 1 20 . 1 1 23 23 LYS H H 23 9.372 9.372 7.919 1.453 19942 10037 1 20 . 1 1 24 24 GLN N N 24 128.777 128.777 125.089 3.688 19942 10038 1 20 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.329 -0.645 19942 10039 1 20 . 1 1 24 24 GLN C C 24 173.229 173.229 174.152 -0.923 19942 10040 1 20 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.868 2.260 19942 10041 1 20 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.117 -1.599 19942 10042 1 20 . 1 1 24 24 GLN H H 24 8.742 8.742 8.285 0.457 19942 10043 1 20 . 1 1 25 25 PHE N N 25 128.481 128.481 119.286 9.195 19942 10044 1 20 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.781 0.224 19942 10045 1 20 . 1 1 25 25 PHE C C 25 174.268 174.268 173.530 0.738 19942 10046 1 20 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.314 2.044 19942 10047 1 20 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.777 0.056 19942 10048 1 20 . 1 1 25 25 PHE H H 25 7.728 7.728 6.468 1.260 19942 10049 1 20 . 1 1 26 26 PHE N N 26 114.641 114.641 118.673 -4.032 19942 10050 1 20 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.180 0.347 19942 10051 1 20 . 1 1 26 26 PHE C C 26 175.679 175.679 175.193 0.486 19942 10052 1 20 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.806 0.346 19942 10053 1 20 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.564 0.173 19942 10054 1 20 . 1 1 26 26 PHE H H 26 9.354 9.354 7.838 1.516 19942 10055 1 20 . 1 1 27 27 ALA N N 27 123.352 123.352 124.281 -0.929 19942 10056 1 20 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.202 0.003 19942 10057 1 20 . 1 1 27 27 ALA C C 27 174.966 174.966 175.498 -0.532 19942 10058 1 20 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.591 -0.645 19942 10059 1 20 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.470 0.420 19942 10060 1 20 . 1 1 27 27 ALA H H 27 8.935 8.935 9.715 -0.780 19942 10061 1 20 . 1 1 28 28 VAL N N 28 122.875 122.875 124.521 -1.646 19942 10062 1 20 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.501 0.166 19942 10063 1 20 . 1 1 28 28 VAL C C 28 177.371 177.371 175.117 2.254 19942 10064 1 20 . 1 1 28 28 VAL CA C 28 61.214 61.214 61.108 0.106 19942 10065 1 20 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.564 -0.269 19942 10066 1 20 . 1 1 28 28 VAL H H 28 8.933 8.933 8.540 0.393 19942 10067 1 20 . 1 1 29 29 GLY N N 29 118.628 118.628 114.096 4.532 19942 10068 1 20 . 1 1 29 29 GLY C C 29 171.637 171.637 172.473 -0.836 19942 10069 1 20 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.518 1.538 19942 10070 1 20 . 1 1 29 29 GLY H H 29 9.852 9.852 8.284 1.568 19942 10071 1 20 . 1 1 30 30 THR N N 30 119.749 119.749 119.113 0.636 19942 10072 1 20 . 1 1 30 30 THR HA H 30 5.033 5.033 5.139 -0.106 19942 10073 1 20 . 1 1 30 30 THR C C 30 173.854 173.854 173.620 0.234 19942 10074 1 20 . 1 1 30 30 THR CA C 30 62.384 62.384 61.662 0.722 19942 10075 1 20 . 1 1 30 30 THR CB C 30 69.631 69.631 71.004 -1.373 19942 10076 1 20 . 1 1 30 30 THR H H 30 8.632 8.632 7.899 0.733 19942 10077 1 20 . 1 1 31 31 TYR N N 31 126.778 126.778 126.452 0.326 19942 10078 1 20 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.900 0.119 19942 10079 1 20 . 1 1 31 31 TYR C C 31 179.438 179.438 178.348 1.090 19942 10080 1 20 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.758 0.254 19942 10081 1 20 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.373 1.497 19942 10082 1 20 . 1 1 31 31 TYR H H 31 9.411 9.411 9.277 0.134 19942 10083 1 20 . 1 1 32 32 SER N N 32 118.249 118.249 119.499 -1.250 19942 10084 1 20 . 1 1 32 32 SER HA H 32 4.112 4.112 4.211 -0.099 19942 10085 1 20 . 1 1 32 32 SER C C 32 174.175 174.175 175.048 -0.873 19942 10086 1 20 . 1 1 32 32 SER CA C 32 61.407 61.407 60.984 0.423 19942 10087 1 20 . 1 1 32 32 SER CB C 32 62.779 62.779 62.830 -0.051 19942 10088 1 20 . 1 1 32 32 SER H H 32 9.767 9.767 8.654 1.113 19942 10089 1 20 . 1 1 33 33 ASP N N 33 119.614 119.614 120.427 -0.813 19942 10090 1 20 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.700 0.034 19942 10091 1 20 . 1 1 33 33 ASP C C 33 177.097 177.097 177.044 0.053 19942 10092 1 20 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.356 -1.680 19942 10093 1 20 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.311 0.210 19942 10094 1 20 . 1 1 33 33 ASP H H 33 7.702 7.702 7.993 -0.291 19942 10095 1 20 . 1 1 34 34 GLY N N 34 108.749 108.749 107.409 1.340 19942 10096 1 20 . 1 1 34 34 GLY C C 34 174.828 174.828 174.479 0.349 19942 10097 1 20 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.420 -0.128 19942 10098 1 20 . 1 1 34 34 GLY H H 34 8.420 8.420 8.452 -0.032 19942 10099 1 20 . 1 1 35 35 THR N N 35 113.544 113.544 115.850 -2.306 19942 10100 1 20 . 1 1 35 35 THR HA H 35 4.297 4.297 4.405 -0.108 19942 10101 1 20 . 1 1 35 35 THR C C 35 173.074 173.074 173.482 -0.408 19942 10102 1 20 . 1 1 35 35 THR CA C 35 62.762 62.762 62.261 0.501 19942 10103 1 20 . 1 1 35 35 THR CB C 35 71.079 71.079 69.974 1.105 19942 10104 1 20 . 1 1 35 35 THR H H 35 7.863 7.863 7.736 0.127 19942 10105 1 20 . 1 1 36 36 LYS N N 36 118.248 118.248 122.078 -3.830 19942 10106 1 20 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.318 0.609 19942 10107 1 20 . 1 1 36 36 LYS C C 36 176.847 176.847 175.333 1.514 19942 10108 1 20 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.251 -0.720 19942 10109 1 20 . 1 1 36 36 LYS CB C 36 36.923 36.923 36.115 0.808 19942 10110 1 20 . 1 1 36 36 LYS H H 36 8.374 8.374 8.450 -0.076 19942 10111 1 20 . 1 1 37 37 ALA N N 37 121.621 121.621 125.003 -3.382 19942 10112 1 20 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.547 0.121 19942 10113 1 20 . 1 1 37 37 ALA C C 37 175.556 175.556 174.706 0.850 19942 10114 1 20 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.913 -0.536 19942 10115 1 20 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.870 1.667 19942 10116 1 20 . 1 1 37 37 ALA H H 37 8.892 8.892 8.520 0.372 19942 10117 1 20 . 1 1 38 38 ASP N N 38 121.602 121.602 121.546 0.056 19942 10118 1 20 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.953 -0.093 19942 10119 1 20 . 1 1 38 38 ASP C C 38 176.487 176.487 176.471 0.016 19942 10120 1 20 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.427 0.807 19942 10121 1 20 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.254 -0.479 19942 10122 1 20 . 1 1 38 38 ASP H H 38 8.983 8.983 8.480 0.503 19942 10123 1 20 . 1 1 39 39 LEU N N 39 128.342 128.342 125.887 2.455 19942 10124 1 20 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.627 0.234 19942 10125 1 20 . 1 1 39 39 LEU C C 39 177.565 177.565 177.965 -0.400 19942 10126 1 20 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.201 -0.611 19942 10127 1 20 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.568 2.365 19942 10128 1 20 . 1 1 39 39 LEU H H 39 9.218 9.218 8.509 0.709 19942 10129 1 20 . 1 1 40 40 THR N N 40 122.567 122.567 117.708 4.859 19942 10130 1 20 . 1 1 40 40 THR HA H 40 4.526 4.526 4.356 0.170 19942 10131 1 20 . 1 1 40 40 THR C C 40 174.562 174.562 176.641 -2.079 19942 10132 1 20 . 1 1 40 40 THR CA C 40 69.870 69.870 68.567 1.303 19942 10133 1 20 . 1 1 40 40 THR CB C 40 69.268 69.268 68.922 0.346 19942 10134 1 20 . 1 1 40 40 THR H H 40 8.983 8.983 9.595 -0.612 19942 10135 1 20 . 1 1 41 41 SER N N 41 109.895 109.895 113.272 -3.377 19942 10136 1 20 . 1 1 41 41 SER HA H 41 4.465 4.465 4.593 -0.128 19942 10137 1 20 . 1 1 41 41 SER C C 41 174.686 174.686 175.098 -0.412 19942 10138 1 20 . 1 1 41 41 SER CA C 41 59.960 59.960 60.625 -0.665 19942 10139 1 20 . 1 1 41 41 SER CB C 41 63.643 63.643 62.841 0.802 19942 10140 1 20 . 1 1 41 41 SER H H 41 8.749 8.749 8.609 0.140 19942 10141 1 20 . 1 1 42 42 SER N N 42 117.037 117.037 117.539 -0.502 19942 10142 1 20 . 1 1 42 42 SER HA H 42 4.706 4.706 4.671 0.035 19942 10143 1 20 . 1 1 42 42 SER C C 42 175.240 175.240 174.501 0.739 19942 10144 1 20 . 1 1 42 42 SER CA C 42 59.742 59.742 59.387 0.355 19942 10145 1 20 . 1 1 42 42 SER CB C 42 64.724 64.724 64.258 0.466 19942 10146 1 20 . 1 1 42 42 SER H H 42 8.056 8.056 7.979 0.077 19942 10147 1 20 . 1 1 43 43 VAL N N 43 113.914 113.914 119.380 -5.466 19942 10148 1 20 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.743 -0.431 19942 10149 1 20 . 1 1 43 43 VAL C C 43 174.501 174.501 175.154 -0.653 19942 10150 1 20 . 1 1 43 43 VAL CA C 43 61.072 61.072 59.882 1.190 19942 10151 1 20 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.109 0.289 19942 10152 1 20 . 1 1 43 43 VAL H H 43 7.498 7.498 8.172 -0.674 19942 10153 1 20 . 1 1 44 44 THR N N 44 116.194 116.194 121.885 -5.691 19942 10154 1 20 . 1 1 44 44 THR HA H 44 4.515 4.515 4.715 -0.200 19942 10155 1 20 . 1 1 44 44 THR C C 44 175.110 175.110 174.034 1.076 19942 10156 1 20 . 1 1 44 44 THR CA C 44 62.468 62.468 62.239 0.229 19942 10157 1 20 . 1 1 44 44 THR CB C 44 69.914 69.914 70.072 -0.158 19942 10158 1 20 . 1 1 44 44 THR H H 44 9.020 9.020 8.015 1.005 19942 10159 1 20 . 1 1 45 45 TRP N N 45 133.716 133.716 129.398 4.318 19942 10160 1 20 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.991 0.393 19942 10161 1 20 . 1 1 45 45 TRP C C 45 176.565 176.565 176.198 0.367 19942 10162 1 20 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.575 0.159 19942 10163 1 20 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.611 0.884 19942 10164 1 20 . 1 1 45 45 TRP H H 45 9.667 9.667 8.818 0.849 19942 10165 1 20 . 1 1 46 46 SER N N 46 117.142 117.142 115.916 1.226 19942 10166 1 20 . 1 1 46 46 SER HA H 46 4.620 4.620 4.845 -0.225 19942 10167 1 20 . 1 1 46 46 SER C C 46 171.333 171.333 172.529 -1.196 19942 10168 1 20 . 1 1 46 46 SER CA C 46 58.013 58.013 57.318 0.695 19942 10169 1 20 . 1 1 46 46 SER CB C 46 65.605 65.605 66.409 -0.804 19942 10170 1 20 . 1 1 46 46 SER H H 46 10.001 10.001 8.374 1.627 19942 10171 1 20 . 1 1 47 47 SER N N 47 112.791 112.791 115.990 -3.199 19942 10172 1 20 . 1 1 47 47 SER HA H 47 5.530 5.530 5.460 0.070 19942 10173 1 20 . 1 1 47 47 SER C C 47 176.141 176.141 175.964 0.177 19942 10174 1 20 . 1 1 47 47 SER CA C 47 53.591 53.591 56.304 -2.713 19942 10175 1 20 . 1 1 47 47 SER CB C 47 66.167 66.167 65.567 0.600 19942 10176 1 20 . 1 1 47 47 SER H H 47 8.594 8.594 8.396 0.198 19942 10177 1 20 . 1 1 48 48 SER N N 48 122.562 122.562 118.982 3.580 19942 10178 1 20 . 1 1 48 48 SER HA H 48 4.289 4.289 4.357 -0.068 19942 10179 1 20 . 1 1 48 48 SER C C 48 174.767 174.767 175.874 -1.107 19942 10180 1 20 . 1 1 48 48 SER CA C 48 60.419 60.419 60.603 -0.184 19942 10181 1 20 . 1 1 48 48 SER CB C 48 62.630 62.630 63.460 -0.830 19942 10182 1 20 . 1 1 48 48 SER H H 48 9.685 9.685 8.461 1.224 19942 10183 1 20 . 1 1 49 49 ASN N N 49 118.253 118.253 121.739 -3.486 19942 10184 1 20 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.742 -0.009 19942 10185 1 20 . 1 1 49 49 ASN C C 49 175.845 175.845 174.771 1.074 19942 10186 1 20 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.019 0.547 19942 10187 1 20 . 1 1 49 49 ASN CB C 49 38.084 38.084 36.624 1.460 19942 10188 1 20 . 1 1 49 49 ASN H H 49 8.006 8.006 7.840 0.166 19942 10189 1 20 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.328 0.216 19942 10190 1 20 . 1 1 50 50 GLN C C 50 175.944 175.944 178.304 -2.360 19942 10191 1 20 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.309 -0.847 19942 10192 1 20 . 1 1 50 50 GLN CB C 50 28.913 28.913 28.806 0.107 19942 10193 1 20 . 1 1 51 51 SER N N 51 113.229 113.229 113.703 -0.474 19942 10194 1 20 . 1 1 51 51 SER HA H 51 4.302 4.302 4.272 0.030 19942 10195 1 20 . 1 1 51 51 SER C C 51 173.524 173.524 175.121 -1.597 19942 10196 1 20 . 1 1 51 51 SER CA C 51 59.973 59.973 60.064 -0.091 19942 10197 1 20 . 1 1 51 51 SER CB C 51 62.832 62.832 63.228 -0.396 19942 10198 1 20 . 1 1 51 51 SER H H 51 8.205 8.205 8.614 -0.409 19942 10199 1 20 . 1 1 52 52 GLN N N 52 116.510 116.510 118.898 -2.388 19942 10200 1 20 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.571 -0.013 19942 10201 1 20 . 1 1 52 52 GLN C C 52 176.697 176.697 173.999 2.698 19942 10202 1 20 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.555 0.561 19942 10203 1 20 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.490 0.094 19942 10204 1 20 . 1 1 52 52 GLN H H 52 7.277 7.277 8.221 -0.944 19942 10205 1 20 . 1 1 53 53 ALA N N 53 119.325 119.325 119.477 -0.152 19942 10206 1 20 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.533 0.375 19942 10207 1 20 . 1 1 53 53 ALA C C 53 174.225 174.225 174.962 -0.737 19942 10208 1 20 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.927 0.451 19942 10209 1 20 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.238 -0.142 19942 10210 1 20 . 1 1 53 53 ALA H H 53 8.150 8.150 7.077 1.073 19942 10211 1 20 . 1 1 54 54 LYS N N 54 120.764 120.764 119.467 1.297 19942 10212 1 20 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.793 0.116 19942 10213 1 20 . 1 1 54 54 LYS C C 54 173.892 173.892 174.486 -0.594 19942 10214 1 20 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.149 -1.387 19942 10215 1 20 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.932 -0.824 19942 10216 1 20 . 1 1 54 54 LYS H H 54 8.397 8.397 8.014 0.383 19942 10217 1 20 . 1 1 55 55 VAL N N 55 118.409 118.409 123.692 -5.283 19942 10218 1 20 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.541 0.392 19942 10219 1 20 . 1 1 55 55 VAL C C 55 172.770 172.770 175.033 -2.263 19942 10220 1 20 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.120 -3.050 19942 10221 1 20 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.795 2.079 19942 10222 1 20 . 1 1 55 55 VAL H H 55 8.748 8.748 8.521 0.227 19942 10223 1 20 . 1 1 56 56 SER N N 56 119.976 119.976 125.352 -5.376 19942 10224 1 20 . 1 1 56 56 SER HA H 56 4.364 4.364 4.774 -0.410 19942 10225 1 20 . 1 1 56 56 SER C C 56 174.635 174.635 173.177 1.458 19942 10226 1 20 . 1 1 56 56 SER CA C 56 57.399 57.399 57.634 -0.235 19942 10227 1 20 . 1 1 56 56 SER CB C 56 63.633 63.633 65.007 -1.374 19942 10228 1 20 . 1 1 56 56 SER H H 56 7.851 7.851 8.352 -0.501 19942 10229 1 20 . 1 1 57 57 ASN N N 57 124.627 124.627 121.888 2.739 19942 10230 1 20 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.847 0.410 19942 10231 1 20 . 1 1 57 57 ASN C C 57 174.450 174.450 174.245 0.205 19942 10232 1 20 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.486 0.902 19942 10233 1 20 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.600 0.930 19942 10234 1 20 . 1 1 57 57 ASN H H 57 9.190 9.190 8.214 0.976 19942 10235 1 20 . 1 1 58 58 ALA N N 58 127.007 127.007 124.779 2.228 19942 10236 1 20 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.686 -0.348 19942 10237 1 20 . 1 1 58 58 ALA C C 58 178.628 178.628 177.861 0.767 19942 10238 1 20 . 1 1 58 58 ALA CA C 58 52.228 52.228 50.757 1.471 19942 10239 1 20 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.591 -1.681 19942 10240 1 20 . 1 1 58 58 ALA H H 58 8.121 8.121 8.160 -0.039 19942 10241 1 20 . 1 1 59 59 SER N N 59 116.407 116.407 113.139 3.268 19942 10242 1 20 . 1 1 59 59 SER HA H 59 4.888 4.888 4.180 0.708 19942 10243 1 20 . 1 1 59 59 SER C C 59 176.729 176.729 176.023 0.706 19942 10244 1 20 . 1 1 59 59 SER CA C 59 62.500 62.500 60.927 1.573 19942 10245 1 20 . 1 1 59 59 SER CB C 59 63.113 63.113 63.367 -0.254 19942 10246 1 20 . 1 1 59 59 SER H H 59 8.767 8.767 8.573 0.194 19942 10247 1 20 . 1 1 60 60 GLU N N 60 117.093 117.093 120.048 -2.955 19942 10248 1 20 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.375 -0.143 19942 10249 1 20 . 1 1 60 60 GLU C C 60 177.467 177.467 178.048 -0.581 19942 10250 1 20 . 1 1 60 60 GLU CA C 60 58.716 58.716 58.435 0.280 19942 10251 1 20 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.781 -0.170 19942 10252 1 20 . 1 1 60 60 GLU H H 60 9.190 9.190 8.646 0.544 19942 10253 1 20 . 1 1 61 61 THR N N 61 107.270 107.270 108.264 -0.994 19942 10254 1 20 . 1 1 61 61 THR HA H 61 4.820 4.820 4.404 0.416 19942 10255 1 20 . 1 1 61 61 THR C C 61 173.068 173.068 174.344 -1.276 19942 10256 1 20 . 1 1 61 61 THR CA C 61 59.191 59.191 60.993 -1.802 19942 10257 1 20 . 1 1 61 61 THR CB C 61 69.219 69.219 69.117 0.102 19942 10258 1 20 . 1 1 61 61 THR H H 61 7.369 7.369 7.197 0.172 19942 10259 1 20 . 1 1 62 62 LYS N N 62 122.917 122.917 121.868 1.049 19942 10260 1 20 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.326 -0.640 19942 10261 1 20 . 1 1 62 62 LYS C C 62 178.225 178.225 176.491 1.734 19942 10262 1 20 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.310 0.811 19942 10263 1 20 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.259 1.031 19942 10264 1 20 . 1 1 62 62 LYS H H 62 6.924 6.924 7.317 -0.393 19942 10265 1 20 . 1 1 63 63 GLY N N 63 111.784 111.784 109.526 2.258 19942 10266 1 20 . 1 1 63 63 GLY C C 63 171.831 171.831 172.230 -0.399 19942 10267 1 20 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.376 -0.021 19942 10268 1 20 . 1 1 63 63 GLY H H 63 7.966 7.966 8.704 -0.738 19942 10269 1 20 . 1 1 64 64 LEU N N 64 120.854 120.854 120.886 -0.032 19942 10270 1 20 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.318 -0.258 19942 10271 1 20 . 1 1 64 64 LEU C C 64 176.666 176.666 174.504 2.162 19942 10272 1 20 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.708 1.855 19942 10273 1 20 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.251 -1.178 19942 10274 1 20 . 1 1 64 64 LEU H H 64 7.785 7.785 7.510 0.275 19942 10275 1 20 . 1 1 65 65 VAL N N 65 135.184 135.184 127.343 7.841 19942 10276 1 20 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.350 0.286 19942 10277 1 20 . 1 1 65 65 VAL C C 65 174.956 174.956 174.347 0.609 19942 10278 1 20 . 1 1 65 65 VAL CA C 65 61.323 61.323 61.400 -0.077 19942 10279 1 20 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.726 -2.730 19942 10280 1 20 . 1 1 65 65 VAL H H 65 8.973 8.973 7.849 1.124 19942 10281 1 20 . 1 1 66 66 THR N N 66 121.955 121.955 122.201 -0.246 19942 10282 1 20 . 1 1 66 66 THR HA H 66 4.774 4.774 4.701 0.073 19942 10283 1 20 . 1 1 66 66 THR C C 66 174.266 174.266 173.950 0.316 19942 10284 1 20 . 1 1 66 66 THR CA C 66 61.225 61.225 60.860 0.365 19942 10285 1 20 . 1 1 66 66 THR CB C 66 71.190 71.190 70.656 0.534 19942 10286 1 20 . 1 1 66 66 THR H H 66 8.947 8.947 8.185 0.762 19942 10287 1 20 . 1 1 67 67 GLY N N 67 114.304 114.304 113.583 0.721 19942 10288 1 20 . 1 1 67 67 GLY C C 67 172.326 172.326 173.752 -1.426 19942 10289 1 20 . 1 1 67 67 GLY CA C 67 46.232 46.232 44.182 2.050 19942 10290 1 20 . 1 1 67 67 GLY H H 67 9.201 9.201 8.168 1.033 19942 10291 1 20 . 1 1 68 68 ILE N N 68 126.492 126.492 124.961 1.531 19942 10292 1 20 . 1 1 68 68 ILE HA H 68 4.123 4.123 4.183 -0.060 19942 10293 1 20 . 1 1 68 68 ILE C C 68 175.021 175.021 175.957 -0.936 19942 10294 1 20 . 1 1 68 68 ILE CA C 68 61.608 61.608 62.446 -0.838 19942 10295 1 20 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.891 0.263 19942 10296 1 20 . 1 1 68 68 ILE H H 68 8.927 8.927 7.795 1.132 19942 10297 1 20 . 1 1 69 69 ALA N N 69 122.378 122.378 121.924 0.454 19942 10298 1 20 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.707 -0.312 19942 10299 1 20 . 1 1 69 69 ALA C C 69 174.111 174.111 176.222 -2.111 19942 10300 1 20 . 1 1 69 69 ALA CA C 69 51.859 51.859 50.924 0.935 19942 10301 1 20 . 1 1 69 69 ALA CB C 69 22.057 22.057 21.011 1.046 19942 10302 1 20 . 1 1 69 69 ALA H H 69 8.413 8.413 7.734 0.679 19942 10303 1 20 . 1 1 70 70 SER N N 70 110.668 110.668 117.276 -6.608 19942 10304 1 20 . 1 1 70 70 SER HA H 70 4.013 4.013 4.626 -0.613 19942 10305 1 20 . 1 1 70 70 SER C C 70 174.180 174.180 174.730 -0.550 19942 10306 1 20 . 1 1 70 70 SER CA C 70 58.620 58.620 58.004 0.616 19942 10307 1 20 . 1 1 70 70 SER CB C 70 64.114 64.114 64.045 0.069 19942 10308 1 20 . 1 1 70 70 SER H H 70 8.109 8.109 8.386 -0.277 19942 10309 1 20 . 1 1 71 71 GLY N N 71 108.506 108.506 108.539 -0.033 19942 10310 1 20 . 1 1 71 71 GLY C C 71 170.868 170.868 172.709 -1.841 19942 10311 1 20 . 1 1 71 71 GLY CA C 71 44.343 44.343 44.713 -0.370 19942 10312 1 20 . 1 1 71 71 GLY H H 71 8.055 8.055 8.324 -0.269 19942 10313 1 20 . 1 1 72 72 ASN N N 72 116.234 116.234 121.159 -4.925 19942 10314 1 20 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.264 -0.372 19942 10315 1 20 . 1 1 72 72 ASN C C 72 171.109 171.109 172.792 -1.683 19942 10316 1 20 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.417 -0.008 19942 10317 1 20 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.394 -0.422 19942 10318 1 20 . 1 1 72 72 ASN H H 72 8.238 8.238 8.511 -0.273 19942 10319 1 20 . 1 1 73 73 PRO C C 73 173.522 173.522 175.838 -2.316 19942 10320 1 20 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.663 0.659 19942 10321 1 20 . 1 1 73 73 PRO CB C 73 32.053 32.053 32.807 -0.754 19942 10322 1 20 . 1 1 74 74 THR N N 74 115.192 115.192 117.647 -2.455 19942 10323 1 20 . 1 1 74 74 THR HA H 74 4.399 4.399 4.650 -0.251 19942 10324 1 20 . 1 1 74 74 THR C C 74 173.467 173.467 173.217 0.250 19942 10325 1 20 . 1 1 74 74 THR CA C 74 61.852 61.852 62.117 -0.265 19942 10326 1 20 . 1 1 74 74 THR CB C 74 70.609 70.609 71.184 -0.575 19942 10327 1 20 . 1 1 74 74 THR H H 74 8.775 8.775 8.041 0.734 19942 10328 1 20 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.940 -0.057 19942 10329 1 20 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.818 2.969 19942 10330 1 20 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.167 -1.300 19942 10331 1 20 . 1 1 76 76 ILE N N 76 126.694 126.694 127.338 -0.644 19942 10332 1 20 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.415 0.260 19942 10333 1 20 . 1 1 76 76 ILE C C 76 173.870 173.870 174.234 -0.364 19942 10334 1 20 . 1 1 76 76 ILE CA C 76 60.543 60.543 60.044 0.499 19942 10335 1 20 . 1 1 76 76 ILE CB C 76 40.920 40.920 40.329 0.591 19942 10336 1 20 . 1 1 76 76 ILE H H 76 8.982 8.982 8.537 0.445 19942 10337 1 20 . 1 1 77 77 ALA N N 77 126.455 126.455 130.963 -4.508 19942 10338 1 20 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.731 -0.232 19942 10339 1 20 . 1 1 77 77 ALA C C 77 175.857 175.857 175.944 -0.087 19942 10340 1 20 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.823 -0.030 19942 10341 1 20 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.033 0.639 19942 10342 1 20 . 1 1 77 77 ALA H H 77 8.431 8.431 8.932 -0.501 19942 10343 1 20 . 1 1 78 78 THR N N 78 116.767 116.767 121.797 -5.030 19942 10344 1 20 . 1 1 78 78 THR HA H 78 4.849 4.849 4.584 0.265 19942 10345 1 20 . 1 1 78 78 THR C C 78 173.211 173.211 172.542 0.669 19942 10346 1 20 . 1 1 78 78 THR CA C 78 61.343 61.343 61.712 -0.369 19942 10347 1 20 . 1 1 78 78 THR CB C 78 71.627 71.627 70.587 1.040 19942 10348 1 20 . 1 1 78 78 THR H H 78 8.135 8.135 8.100 0.035 19942 10349 1 20 . 1 1 79 79 TYR N N 79 127.950 127.950 129.280 -1.330 19942 10350 1 20 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.692 -0.063 19942 10351 1 20 . 1 1 79 79 TYR C C 79 174.921 174.921 175.110 -0.189 19942 10352 1 20 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.453 1.053 19942 10353 1 20 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.361 0.211 19942 10354 1 20 . 1 1 79 79 TYR H H 79 9.136 9.136 9.016 0.120 19942 10355 1 20 . 1 1 80 80 GLY N N 80 118.393 118.393 117.165 1.228 19942 10356 1 20 . 1 1 80 80 GLY C C 80 174.902 174.902 174.322 0.580 19942 10357 1 20 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.538 0.331 19942 10358 1 20 . 1 1 80 80 GLY H H 80 8.786 8.786 8.348 0.438 19942 10359 1 20 . 1 1 81 81 SER N N 81 113.872 113.872 118.671 -4.799 19942 10360 1 20 . 1 1 81 81 SER HA H 81 4.348 4.348 4.450 -0.102 19942 10361 1 20 . 1 1 81 81 SER C C 81 173.279 173.279 174.306 -1.027 19942 10362 1 20 . 1 1 81 81 SER CA C 81 58.658 58.658 58.831 -0.173 19942 10363 1 20 . 1 1 81 81 SER CB C 81 63.490 63.490 63.329 0.161 19942 10364 1 20 . 1 1 81 81 SER H H 81 7.878 7.878 8.270 -0.392 19942 10365 1 20 . 1 1 82 82 VAL N N 82 124.320 124.320 124.099 0.221 19942 10366 1 20 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.342 -0.093 19942 10367 1 20 . 1 1 82 82 VAL C C 82 173.455 173.455 173.880 -0.425 19942 10368 1 20 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.868 -0.216 19942 10369 1 20 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.416 -0.950 19942 10370 1 20 . 1 1 82 82 VAL H H 82 7.845 7.845 7.951 -0.106 19942 10371 1 20 . 1 1 83 83 SER N N 83 119.056 119.056 121.177 -2.121 19942 10372 1 20 . 1 1 83 83 SER HA H 83 5.507 5.507 5.187 0.320 19942 10373 1 20 . 1 1 83 83 SER C C 83 173.841 173.841 173.535 0.306 19942 10374 1 20 . 1 1 83 83 SER CA C 83 56.624 56.624 56.685 -0.062 19942 10375 1 20 . 1 1 83 83 SER CB C 83 66.733 66.733 66.720 0.013 19942 10376 1 20 . 1 1 83 83 SER H H 83 8.549 8.549 8.414 0.135 19942 10377 1 20 . 1 1 84 84 GLY N N 84 111.431 111.431 109.544 1.887 19942 10378 1 20 . 1 1 84 84 GLY C C 84 171.253 171.253 172.410 -1.157 19942 10379 1 20 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.401 -0.118 19942 10380 1 20 . 1 1 84 84 GLY H H 84 8.957 8.957 8.924 0.033 19942 10381 1 20 . 1 1 85 85 ASN N N 85 114.909 114.909 119.980 -5.071 19942 10382 1 20 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.524 0.375 19942 10383 1 20 . 1 1 85 85 ASN C C 85 174.553 174.553 175.011 -0.458 19942 10384 1 20 . 1 1 85 85 ASN CA C 85 52.794 52.794 51.955 0.839 19942 10385 1 20 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.713 1.433 19942 10386 1 20 . 1 1 85 85 ASN H H 85 8.752 8.752 8.470 0.282 19942 10387 1 20 . 1 1 86 86 THR N N 86 114.501 114.501 114.407 0.094 19942 10388 1 20 . 1 1 86 86 THR HA H 86 4.677 4.677 4.684 -0.007 19942 10389 1 20 . 1 1 86 86 THR C C 86 170.890 170.890 173.462 -2.572 19942 10390 1 20 . 1 1 86 86 THR CA C 86 61.715 61.715 60.736 0.979 19942 10391 1 20 . 1 1 86 86 THR CB C 86 70.636 70.636 70.939 -0.303 19942 10392 1 20 . 1 1 86 86 THR H H 86 8.922 8.922 8.811 0.111 19942 10393 1 20 . 1 1 87 87 ILE N N 87 125.857 125.857 122.021 3.836 19942 10394 1 20 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.151 0.391 19942 10395 1 20 . 1 1 87 87 ILE C C 87 175.495 175.495 174.906 0.589 19942 10396 1 20 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.679 0.564 19942 10397 1 20 . 1 1 87 87 ILE CB C 87 39.423 39.423 39.029 0.394 19942 10398 1 20 . 1 1 87 87 ILE H H 87 8.020 8.020 8.242 -0.222 19942 10399 1 20 . 1 1 88 88 LEU N N 88 129.304 129.304 130.446 -1.142 19942 10400 1 20 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.851 -0.168 19942 10401 1 20 . 1 1 88 88 LEU C C 88 174.979 174.979 175.210 -0.231 19942 10402 1 20 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.555 0.183 19942 10403 1 20 . 1 1 88 88 LEU CB C 88 45.636 45.636 45.182 0.454 19942 10404 1 20 . 1 1 88 88 LEU H H 88 8.797 8.797 8.156 0.641 19942 10405 1 20 . 1 1 89 89 THR N N 89 117.751 117.751 122.018 -4.267 19942 10406 1 20 . 1 1 89 89 THR HA H 89 4.749 4.749 4.610 0.139 19942 10407 1 20 . 1 1 89 89 THR C C 89 173.269 173.269 173.640 -0.371 19942 10408 1 20 . 1 1 89 89 THR CA C 89 62.794 62.794 61.549 1.245 19942 10409 1 20 . 1 1 89 89 THR CB C 89 70.202 70.202 70.646 -0.444 19942 10410 1 20 . 1 1 89 89 THR H H 89 7.882 7.882 9.317 -1.435 19942 10411 1 20 . 1 1 90 90 VAL N N 90 127.485 127.485 126.435 1.050 19942 10412 1 20 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.122 0.715 19942 10413 1 20 . 1 1 90 90 VAL C C 90 176.460 176.460 174.524 1.936 19942 10414 1 20 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.543 -2.132 19942 10415 1 20 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.575 0.084 19942 10416 1 20 . 1 1 90 90 VAL H H 90 9.139 9.139 8.353 0.786 19942 10417 1 20 . 1 1 91 91 ASN N N 91 126.674 126.674 126.304 0.370 19942 10418 1 20 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.873 -0.034 19942 10419 1 20 . 1 1 91 91 ASN C C 91 174.311 174.311 173.931 0.380 19942 10420 1 20 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.485 1.294 19942 10421 1 20 . 1 1 91 91 ASN CB C 91 40.777 40.777 40.498 0.279 19942 10422 1 20 . 1 1 91 91 ASN H H 91 8.992 8.992 8.180 0.812 19942 10423 1 20 . 1 1 92 92 LYS N N 92 122.622 122.622 123.736 -1.114 19942 10424 1 20 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.563 -0.145 19942 10425 1 20 . 1 1 92 92 LYS C C 92 176.757 176.757 176.909 -0.152 19942 10426 1 20 . 1 1 92 92 LYS CA C 92 56.470 56.470 55.472 0.998 19942 10427 1 20 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.127 0.175 19942 10428 1 20 . 1 1 92 92 LYS H H 92 8.556 8.556 8.455 0.101 19942 10429 1 20 . 1 1 93 93 THR N N 93 119.358 119.358 118.682 0.676 19942 10430 1 20 . 1 1 93 93 THR HA H 93 4.315 4.315 4.147 0.168 19942 10431 1 20 . 1 1 93 93 THR C C 93 174.018 174.018 174.292 -0.274 19942 10432 1 20 . 1 1 93 93 THR CA C 93 62.060 62.060 64.451 -2.391 19942 10433 1 20 . 1 1 93 93 THR CB C 93 69.715 69.715 69.014 0.701 19942 10434 1 20 . 1 1 93 93 THR H H 93 8.439 8.439 8.499 -0.060 19942 10435 1 20 . 1 1 94 94 ASP N N 94 124.142 124.142 121.488 2.654 19942 10436 1 20 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.494 0.171 19942 10437 1 20 . 1 1 94 94 ASP C C 94 175.464 175.464 175.339 0.125 19942 10438 1 20 . 1 1 94 94 ASP CA C 94 54.515 54.515 55.326 -0.811 19942 10439 1 20 . 1 1 94 94 ASP CB C 94 41.117 41.117 39.013 2.104 19942 10440 1 20 . 1 1 94 94 ASP H H 94 8.583 8.583 8.633 -0.050 19942 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 86 3.171 0.239 3.181 19942 2 1 1 "Average Difference" HA 97 0.461 -0.036 0.462 19942 3 1 1 "Average Difference" C 91 1.161 0.205 1.149 19942 4 1 1 "Average Difference" CA 92 1.194 -0.059 1.199 19942 5 1 1 "Average Difference" CB 84 1.104 -0.139 1.102 19942 6 1 1 "Average Difference" HN 86 0.634 -0.295 0.564 19942 7 1 2 "Average Difference" N 86 3.120 0.066 3.138 19942 8 1 2 "Average Difference" HA 97 0.456 -0.016 0.458 19942 9 1 2 "Average Difference" C 91 1.128 0.175 1.121 19942 10 1 2 "Average Difference" CA 92 1.202 -0.139 1.200 19942 11 1 2 "Average Difference" CB 84 1.093 -0.232 1.074 19942 12 1 2 "Average Difference" HN 86 0.651 -0.290 0.586 19942 13 1 3 "Average Difference" N 86 3.102 0.342 3.101 19942 14 1 3 "Average Difference" HA 97 0.452 -0.016 0.454 19942 15 1 3 "Average Difference" C 91 1.128 0.086 1.131 19942 16 1 3 "Average Difference" CA 92 1.107 -0.043 1.112 19942 17 1 3 "Average Difference" CB 84 1.081 -0.193 1.070 19942 18 1 3 "Average Difference" HN 86 0.622 -0.275 0.562 19942 19 1 4 "Average Difference" N 86 3.216 0.089 3.234 19942 20 1 4 "Average Difference" HA 97 0.437 0.001 0.439 19942 21 1 4 "Average Difference" C 91 1.089 0.060 1.093 19942 22 1 4 "Average Difference" CA 92 1.078 -0.125 1.077 19942 23 1 4 "Average Difference" CB 84 1.121 -0.094 1.124 19942 24 1 4 "Average Difference" HN 86 0.613 -0.270 0.554 19942 25 1 5 "Average Difference" N 86 3.172 0.120 3.189 19942 26 1 5 "Average Difference" HA 97 0.462 -0.012 0.465 19942 27 1 5 "Average Difference" C 91 1.152 0.150 1.148 19942 28 1 5 "Average Difference" CA 92 1.220 -0.059 1.226 19942 29 1 5 "Average Difference" CB 84 1.086 -0.093 1.089 19942 30 1 5 "Average Difference" HN 86 0.625 -0.315 0.544 19942 31 1 6 "Average Difference" N 86 3.365 0.349 3.366 19942 32 1 6 "Average Difference" HA 97 0.455 -0.020 0.457 19942 33 1 6 "Average Difference" C 91 1.123 0.160 1.118 19942 34 1 6 "Average Difference" CA 92 1.143 -0.093 1.145 19942 35 1 6 "Average Difference" CB 84 1.150 -0.202 1.138 19942 36 1 6 "Average Difference" HN 86 0.655 -0.254 0.607 19942 37 1 7 "Average Difference" N 86 3.166 0.359 3.164 19942 38 1 7 "Average Difference" HA 97 0.449 -0.026 0.451 19942 39 1 7 "Average Difference" C 91 1.111 0.182 1.102 19942 40 1 7 "Average Difference" CA 92 1.092 -0.076 1.095 19942 41 1 7 "Average Difference" CB 84 1.163 -0.167 1.157 19942 42 1 7 "Average Difference" HN 86 0.617 -0.263 0.562 19942 43 1 8 "Average Difference" N 86 3.093 0.384 3.087 19942 44 1 8 "Average Difference" HA 97 0.449 -0.017 0.451 19942 45 1 8 "Average Difference" C 91 1.129 0.143 1.126 19942 46 1 8 "Average Difference" CA 92 1.253 -0.044 1.259 19942 47 1 8 "Average Difference" CB 84 1.076 -0.244 1.054 19942 48 1 8 "Average Difference" HN 86 0.628 -0.271 0.570 19942 49 1 9 "Average Difference" N 86 3.162 0.235 3.172 19942 50 1 9 "Average Difference" HA 97 0.441 -0.003 0.443 19942 51 1 9 "Average Difference" C 91 1.084 0.178 1.075 19942 52 1 9 "Average Difference" CA 92 1.073 -0.083 1.075 19942 53 1 9 "Average Difference" CB 84 1.076 -0.147 1.073 19942 54 1 9 "Average Difference" HN 86 0.606 -0.281 0.541 19942 55 1 10 "Average Difference" N 86 3.198 0.255 3.207 19942 56 1 10 "Average Difference" HA 97 0.440 -0.006 0.443 19942 57 1 10 "Average Difference" C 91 1.144 0.128 1.143 19942 58 1 10 "Average Difference" CA 92 1.125 -0.059 1.129 19942 59 1 10 "Average Difference" CB 84 1.082 -0.177 1.074 19942 60 1 10 "Average Difference" HN 86 0.638 -0.275 0.580 19942 61 1 11 "Average Difference" N 86 2.987 0.414 2.976 19942 62 1 11 "Average Difference" HA 97 0.463 -0.037 0.464 19942 63 1 11 "Average Difference" C 91 1.132 0.151 1.128 19942 64 1 11 "Average Difference" CA 92 1.072 -0.086 1.075 19942 65 1 11 "Average Difference" CB 84 1.207 -0.241 1.190 19942 66 1 11 "Average Difference" HN 86 0.627 -0.250 0.578 19942 67 1 12 "Average Difference" N 86 3.070 0.294 3.074 19942 68 1 12 "Average Difference" HA 97 0.473 -0.010 0.475 19942 69 1 12 "Average Difference" C 91 1.144 0.184 1.135 19942 70 1 12 "Average Difference" CA 92 1.188 -0.105 1.190 19942 71 1 12 "Average Difference" CB 84 1.121 -0.215 1.107 19942 72 1 12 "Average Difference" HN 86 0.650 -0.262 0.598 19942 73 1 13 "Average Difference" N 86 3.214 0.332 3.216 19942 74 1 13 "Average Difference" HA 97 0.434 -0.020 0.436 19942 75 1 13 "Average Difference" C 91 1.111 0.068 1.115 19942 76 1 13 "Average Difference" CA 92 1.138 -0.158 1.133 19942 77 1 13 "Average Difference" CB 84 1.051 -0.173 1.043 19942 78 1 13 "Average Difference" HN 86 0.627 -0.280 0.565 19942 79 1 14 "Average Difference" N 86 3.046 0.253 3.053 19942 80 1 14 "Average Difference" HA 97 0.472 -0.010 0.474 19942 81 1 14 "Average Difference" C 91 1.160 0.159 1.155 19942 82 1 14 "Average Difference" CA 92 1.185 -0.111 1.186 19942 83 1 14 "Average Difference" CB 84 1.171 -0.168 1.166 19942 84 1 14 "Average Difference" HN 86 0.600 -0.253 0.547 19942 85 1 15 "Average Difference" N 86 3.141 0.188 3.154 19942 86 1 15 "Average Difference" HA 97 0.450 -0.020 0.452 19942 87 1 15 "Average Difference" C 91 1.124 0.115 1.125 19942 88 1 15 "Average Difference" CA 92 1.188 -0.079 1.192 19942 89 1 15 "Average Difference" CB 84 1.192 -0.223 1.178 19942 90 1 15 "Average Difference" HN 86 0.618 -0.270 0.559 19942 91 1 16 "Average Difference" N 86 3.282 0.332 3.284 19942 92 1 16 "Average Difference" HA 97 0.454 -0.008 0.456 19942 93 1 16 "Average Difference" C 91 1.097 0.146 1.093 19942 94 1 16 "Average Difference" CA 92 1.125 -0.111 1.125 19942 95 1 16 "Average Difference" CB 84 1.060 -0.131 1.058 19942 96 1 16 "Average Difference" HN 86 0.647 -0.302 0.576 19942 97 1 17 "Average Difference" N 86 3.146 0.278 3.152 19942 98 1 17 "Average Difference" HA 97 0.458 -0.022 0.460 19942 99 1 17 "Average Difference" C 91 1.127 0.122 1.127 19942 100 1 17 "Average Difference" CA 92 1.274 -0.135 1.273 19942 101 1 17 "Average Difference" CB 84 1.151 -0.211 1.138 19942 102 1 17 "Average Difference" HN 86 0.600 -0.279 0.534 19942 103 1 18 "Average Difference" N 86 3.110 0.291 3.115 19942 104 1 18 "Average Difference" HA 97 0.446 -0.016 0.448 19942 105 1 18 "Average Difference" C 91 1.072 0.173 1.064 19942 106 1 18 "Average Difference" CA 92 1.138 -0.111 1.139 19942 107 1 18 "Average Difference" CB 84 1.129 -0.257 1.106 19942 108 1 18 "Average Difference" HN 86 0.645 -0.261 0.593 19942 109 1 19 "Average Difference" N 86 3.092 0.092 3.109 19942 110 1 19 "Average Difference" HA 97 0.455 -0.020 0.457 19942 111 1 19 "Average Difference" C 91 1.101 0.109 1.102 19942 112 1 19 "Average Difference" CA 92 1.089 -0.112 1.089 19942 113 1 19 "Average Difference" CB 84 1.031 -0.139 1.028 19942 114 1 19 "Average Difference" HN 86 0.619 -0.264 0.563 19942 115 1 20 "Average Difference" N 86 3.096 0.448 3.082 19942 116 1 20 "Average Difference" HA 97 0.431 -0.026 0.432 19942 117 1 20 "Average Difference" C 91 1.144 0.113 1.145 19942 118 1 20 "Average Difference" CA 92 1.102 -0.099 1.103 19942 119 1 20 "Average Difference" CB 84 1.093 -0.237 1.073 19942 120 1 20 "Average Difference" HN 86 0.649 -0.269 0.593 19942 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 19942 _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 3 3 ALA N N 3 123.810 123.810 122.427 1.383 19942 2 1 . 1 1 3 3 ALA HA H 3 4.209 4.209 4.344 -0.135 19942 3 1 . 1 1 3 3 ALA C C 3 177.476 177.476 177.007 0.469 19942 4 1 . 1 1 3 3 ALA CA C 3 52.450 52.450 52.086 0.364 19942 5 1 . 1 1 3 3 ALA CB C 3 19.517 19.517 19.787 -0.270 19942 6 1 . 1 1 3 3 ALA H H 3 8.387 8.387 8.014 0.373 19942 7 1 . 1 1 4 4 THR N N 4 113.060 113.060 113.706 -0.646 19942 8 1 . 1 1 4 4 THR HA H 4 4.621 4.621 4.647 -0.026 19942 9 1 . 1 1 4 4 THR C C 4 174.426 174.426 173.627 0.799 19942 10 1 . 1 1 4 4 THR CA C 4 60.020 60.020 60.756 -0.736 19942 11 1 . 1 1 4 4 THR CB C 4 71.041 71.041 70.976 0.065 19942 12 1 . 1 1 4 4 THR H H 4 8.593 8.593 8.488 0.106 19942 13 1 . 1 1 5 5 LEU N N 5 125.889 125.889 123.680 2.209 19942 14 1 . 1 1 5 5 LEU HA H 5 3.436 3.436 4.102 -0.666 19942 15 1 . 1 1 5 5 LEU C C 5 175.432 175.432 176.446 -1.014 19942 16 1 . 1 1 5 5 LEU CA C 5 56.191 56.191 55.211 0.980 19942 17 1 . 1 1 5 5 LEU CB C 5 41.259 41.259 42.215 -0.956 19942 18 1 . 1 1 5 5 LEU H H 5 8.888 8.888 8.555 0.333 19942 19 1 . 1 1 6 6 SER N N 6 123.564 123.564 122.961 0.603 19942 20 1 . 1 1 6 6 SER HA H 6 4.574 4.574 4.400 0.174 19942 21 1 . 1 1 6 6 SER C C 6 174.217 174.217 174.522 -0.305 19942 22 1 . 1 1 6 6 SER CA C 6 59.688 59.688 60.034 -0.346 19942 23 1 . 1 1 6 6 SER CB C 6 64.300 64.300 63.969 0.331 19942 24 1 . 1 1 6 6 SER H H 6 9.155 9.155 8.884 0.271 19942 25 1 . 1 1 7 7 SER N N 7 112.212 112.212 112.718 -0.506 19942 26 1 . 1 1 7 7 SER HA H 7 4.499 4.499 4.700 -0.201 19942 27 1 . 1 1 7 7 SER C C 7 171.592 171.592 172.213 -0.621 19942 28 1 . 1 1 7 7 SER CA C 7 57.676 57.676 57.585 0.091 19942 29 1 . 1 1 7 7 SER CB C 7 64.795 64.795 65.127 -0.333 19942 30 1 . 1 1 7 7 SER H H 7 7.913 7.913 7.667 0.246 19942 31 1 . 1 1 8 8 ILE N N 8 120.132 120.132 119.816 0.316 19942 32 1 . 1 1 8 8 ILE HA H 8 4.661 4.661 4.519 0.142 19942 33 1 . 1 1 8 8 ILE C C 8 174.094 174.094 174.890 -0.796 19942 34 1 . 1 1 8 8 ILE CA C 8 60.317 60.317 60.040 0.277 19942 35 1 . 1 1 8 8 ILE CB C 8 42.926 42.926 40.600 2.326 19942 36 1 . 1 1 8 8 ILE H H 8 8.628 8.628 8.251 0.377 19942 37 1 . 1 1 9 9 SER N N 9 120.939 120.939 122.393 -1.454 19942 38 1 . 1 1 9 9 SER HA H 9 4.907 4.907 4.876 0.031 19942 39 1 . 1 1 9 9 SER C C 9 173.176 173.176 173.051 0.125 19942 40 1 . 1 1 9 9 SER CA C 9 56.291 56.291 56.805 -0.514 19942 41 1 . 1 1 9 9 SER CB C 9 65.325 65.325 66.073 -0.748 19942 42 1 . 1 1 9 9 SER H H 9 8.761 8.761 8.926 -0.165 19942 43 1 . 1 1 10 10 ILE N N 10 126.047 126.047 123.282 2.765 19942 44 1 . 1 1 10 10 ILE HA H 10 5.477 5.477 4.511 0.966 19942 45 1 . 1 1 10 10 ILE C C 10 175.259 175.259 176.099 -0.840 19942 46 1 . 1 1 10 10 ILE CA C 10 59.092 59.092 59.951 -0.859 19942 47 1 . 1 1 10 10 ILE CB C 10 39.842 39.842 39.155 0.687 19942 48 1 . 1 1 10 10 ILE H H 10 8.852 8.852 8.494 0.358 19942 49 1 . 1 1 11 11 SER N N 11 122.938 122.938 123.527 -0.589 19942 50 1 . 1 1 11 11 SER HA H 11 4.704 4.704 4.960 -0.256 19942 51 1 . 1 1 11 11 SER C C 11 170.288 170.288 173.200 -2.912 19942 52 1 . 1 1 11 11 SER CA C 11 55.401 55.401 56.412 -1.011 19942 53 1 . 1 1 11 11 SER CB C 11 65.248 65.248 63.661 1.587 19942 54 1 . 1 1 11 11 SER H H 11 9.108 9.108 9.001 0.107 19942 55 1 . 1 1 12 12 PRO HA H 12 4.697 4.697 4.341 0.356 19942 56 1 . 1 1 12 12 PRO C C 12 175.467 175.467 176.045 -0.578 19942 57 1 . 1 1 12 12 PRO CA C 12 61.456 61.456 63.853 -2.397 19942 58 1 . 1 1 12 12 PRO CB C 12 34.906 34.906 32.108 2.798 19942 59 1 . 1 1 13 13 ILE N N 13 118.003 118.003 119.362 -1.359 19942 60 1 . 1 1 13 13 ILE HA H 13 4.351 4.351 4.144 0.207 19942 61 1 . 1 1 13 13 ILE C C 13 176.535 176.535 176.538 -0.003 19942 62 1 . 1 1 13 13 ILE CA C 13 61.092 61.092 60.690 0.402 19942 63 1 . 1 1 13 13 ILE CB C 13 39.233 39.233 38.806 0.427 19942 64 1 . 1 1 13 13 ILE H H 13 8.233 8.233 8.317 -0.084 19942 65 1 . 1 1 14 14 ASN N N 14 122.727 122.727 123.289 -0.562 19942 66 1 . 1 1 14 14 ASN HA H 14 4.776 4.776 4.497 0.279 19942 67 1 . 1 1 14 14 ASN C C 14 175.286 175.286 174.929 0.357 19942 68 1 . 1 1 14 14 ASN CA C 14 53.586 53.586 55.013 -1.427 19942 69 1 . 1 1 14 14 ASN CB C 14 37.496 37.496 38.379 -0.883 19942 70 1 . 1 1 14 14 ASN H H 14 8.501 8.501 8.655 -0.154 19942 71 1 . 1 1 15 15 THR N N 15 114.899 114.899 113.321 1.578 19942 72 1 . 1 1 15 15 THR HA H 15 4.587 4.587 4.472 0.115 19942 73 1 . 1 1 15 15 THR C C 15 173.339 173.339 172.796 0.543 19942 74 1 . 1 1 15 15 THR CA C 15 61.059 61.059 61.724 -0.665 19942 75 1 . 1 1 15 15 THR CB C 15 69.683 69.683 69.309 0.374 19942 76 1 . 1 1 15 15 THR H H 15 8.878 8.878 8.240 0.638 19942 77 1 . 1 1 16 16 ASN N N 16 119.994 119.994 123.894 -3.900 19942 78 1 . 1 1 16 16 ASN HA H 16 5.814 5.814 5.523 0.291 19942 79 1 . 1 1 16 16 ASN C C 16 173.995 173.995 173.424 0.571 19942 80 1 . 1 1 16 16 ASN CA C 16 52.386 52.386 52.548 -0.162 19942 81 1 . 1 1 16 16 ASN CB C 16 41.379 41.379 42.393 -1.014 19942 82 1 . 1 1 16 16 ASN H H 16 8.293 8.293 8.248 0.045 19942 83 1 . 1 1 17 17 ILE N N 17 118.356 118.356 120.645 -2.289 19942 84 1 . 1 1 17 17 ILE HA H 17 4.723 4.723 4.351 0.372 19942 85 1 . 1 1 17 17 ILE C C 17 173.556 173.556 174.000 -0.444 19942 86 1 . 1 1 17 17 ILE CA C 17 59.491 59.491 59.607 -0.116 19942 87 1 . 1 1 17 17 ILE CB C 17 42.437 42.437 41.358 1.079 19942 88 1 . 1 1 17 17 ILE H H 17 8.962 8.962 8.168 0.794 19942 89 1 . 1 1 18 18 ASN N N 18 122.798 122.798 122.933 -0.135 19942 90 1 . 1 1 18 18 ASN HA H 18 5.539 5.539 4.953 0.586 19942 91 1 . 1 1 18 18 ASN C C 18 176.607 176.607 175.654 0.953 19942 92 1 . 1 1 18 18 ASN CA C 18 51.292 51.292 52.160 -0.868 19942 93 1 . 1 1 18 18 ASN CB C 18 39.343 39.343 40.263 -0.920 19942 94 1 . 1 1 18 18 ASN H H 18 8.404 8.404 8.504 -0.100 19942 95 1 . 1 1 19 19 THR C C 19 175.737 175.737 174.837 0.900 19942 96 1 . 1 1 19 19 THR CA C 19 62.695 62.695 64.097 -1.402 19942 97 1 . 1 1 19 19 THR CB C 19 68.758 68.758 68.720 0.038 19942 98 1 . 1 1 20 20 THR N N 20 113.750 113.750 114.505 -0.755 19942 99 1 . 1 1 20 20 THR HA H 20 4.281 4.281 4.081 0.200 19942 100 1 . 1 1 20 20 THR C C 20 173.630 173.630 173.559 0.071 19942 101 1 . 1 1 20 20 THR CA C 20 64.559 64.559 63.016 1.543 19942 102 1 . 1 1 20 20 THR CB C 20 69.925 69.925 68.241 1.684 19942 103 1 . 1 1 20 20 THR H H 20 8.400 8.400 8.366 0.034 19942 104 1 . 1 1 21 21 VAL N N 21 124.237 124.237 121.107 3.130 19942 105 1 . 1 1 21 21 VAL HA H 21 4.248 4.248 4.309 -0.061 19942 106 1 . 1 1 21 21 VAL C C 21 175.464 175.464 174.882 0.582 19942 107 1 . 1 1 21 21 VAL CA C 21 62.273 62.273 60.754 1.519 19942 108 1 . 1 1 21 21 VAL H H 21 7.953 7.953 7.590 0.363 19942 109 1 . 1 1 22 22 SER HA H 22 5.542 5.542 4.860 0.682 19942 110 1 . 1 1 22 22 SER C C 22 173.145 173.145 173.579 -0.434 19942 111 1 . 1 1 22 22 SER CA C 22 58.153 58.153 57.685 0.468 19942 112 1 . 1 1 22 22 SER CB C 22 64.768 64.768 64.160 0.608 19942 113 1 . 1 1 23 23 LYS N N 23 124.177 124.177 125.155 -0.978 19942 114 1 . 1 1 23 23 LYS HA H 23 4.510 4.510 4.452 0.058 19942 115 1 . 1 1 23 23 LYS C C 23 173.847 173.847 174.055 -0.208 19942 116 1 . 1 1 23 23 LYS CA C 23 54.951 54.951 55.136 -0.185 19942 117 1 . 1 1 23 23 LYS CB C 23 36.916 36.916 35.273 1.643 19942 118 1 . 1 1 23 23 LYS H H 23 9.372 9.372 8.107 1.265 19942 119 1 . 1 1 24 24 GLN N N 24 128.777 128.777 125.265 3.512 19942 120 1 . 1 1 24 24 GLN HA H 24 3.684 3.684 4.346 -0.662 19942 121 1 . 1 1 24 24 GLN C C 24 173.229 173.229 174.073 -0.844 19942 122 1 . 1 1 24 24 GLN CA C 24 56.128 56.128 53.952 2.176 19942 123 1 . 1 1 24 24 GLN CB C 24 29.518 29.518 31.200 -1.682 19942 124 1 . 1 1 24 24 GLN H H 24 8.742 8.742 8.272 0.470 19942 125 1 . 1 1 25 25 PHE N N 25 128.481 128.481 118.905 9.576 19942 126 1 . 1 1 25 25 PHE HA H 25 5.005 5.005 4.589 0.416 19942 127 1 . 1 1 25 25 PHE C C 25 174.268 174.268 173.400 0.868 19942 128 1 . 1 1 25 25 PHE CA C 25 56.358 56.358 54.448 1.910 19942 129 1 . 1 1 25 25 PHE CB C 25 40.833 40.833 40.441 0.392 19942 130 1 . 1 1 25 25 PHE H H 25 7.728 7.728 6.408 1.320 19942 131 1 . 1 1 26 26 PHE N N 26 114.641 114.641 118.457 -3.816 19942 132 1 . 1 1 26 26 PHE HA H 26 5.527 5.527 5.112 0.415 19942 133 1 . 1 1 26 26 PHE C C 26 175.679 175.679 175.241 0.438 19942 134 1 . 1 1 26 26 PHE CA C 26 56.151 56.151 55.824 0.327 19942 135 1 . 1 1 26 26 PHE CB C 26 42.737 42.737 42.450 0.287 19942 136 1 . 1 1 26 26 PHE H H 26 9.354 9.354 7.902 1.452 19942 137 1 . 1 1 27 27 ALA N N 27 123.352 123.352 124.135 -0.783 19942 138 1 . 1 1 27 27 ALA HA H 27 5.205 5.205 5.126 0.079 19942 139 1 . 1 1 27 27 ALA C C 27 174.966 174.966 175.559 -0.593 19942 140 1 . 1 1 27 27 ALA CA C 27 49.946 49.946 50.666 -0.720 19942 141 1 . 1 1 27 27 ALA CB C 27 21.890 21.890 21.656 0.234 19942 142 1 . 1 1 27 27 ALA H H 27 8.935 8.935 9.621 -0.686 19942 143 1 . 1 1 28 28 VAL N N 28 122.875 122.875 124.244 -1.369 19942 144 1 . 1 1 28 28 VAL HA H 28 4.667 4.667 4.666 0.001 19942 145 1 . 1 1 28 28 VAL C C 28 177.371 177.371 175.061 2.310 19942 146 1 . 1 1 28 28 VAL CA C 28 61.214 61.214 60.742 0.472 19942 147 1 . 1 1 28 28 VAL CB C 28 34.295 34.295 34.652 -0.357 19942 148 1 . 1 1 28 28 VAL H H 28 8.933 8.933 8.707 0.225 19942 149 1 . 1 1 29 29 GLY N N 29 118.628 118.628 114.054 4.574 19942 150 1 . 1 1 29 29 GLY C C 29 171.637 171.637 172.305 -0.668 19942 151 1 . 1 1 29 29 GLY CA C 29 45.056 45.056 43.601 1.455 19942 152 1 . 1 1 29 29 GLY H H 29 9.852 9.852 8.472 1.380 19942 153 1 . 1 1 30 30 THR N N 30 119.749 119.749 119.776 -0.027 19942 154 1 . 1 1 30 30 THR HA H 30 5.033 5.033 5.195 -0.162 19942 155 1 . 1 1 30 30 THR C C 30 173.854 173.854 173.706 0.148 19942 156 1 . 1 1 30 30 THR CA C 30 62.384 62.384 61.561 0.823 19942 157 1 . 1 1 30 30 THR CB C 30 69.631 69.631 70.895 -1.264 19942 158 1 . 1 1 30 30 THR H H 30 8.632 8.632 8.080 0.552 19942 159 1 . 1 1 31 31 TYR N N 31 126.778 126.778 126.602 0.176 19942 160 1 . 1 1 31 31 TYR HA H 31 5.019 5.019 4.895 0.124 19942 161 1 . 1 1 31 31 TYR C C 31 179.438 179.438 178.171 1.267 19942 162 1 . 1 1 31 31 TYR CA C 31 58.012 58.012 57.906 0.106 19942 163 1 . 1 1 31 31 TYR CB C 31 40.870 40.870 39.508 1.362 19942 164 1 . 1 1 31 31 TYR H H 31 9.411 9.411 9.244 0.167 19942 165 1 . 1 1 32 32 SER N N 32 118.249 118.249 118.728 -0.479 19942 166 1 . 1 1 32 32 SER HA H 32 4.112 4.112 4.222 -0.110 19942 167 1 . 1 1 32 32 SER C C 32 174.175 174.175 175.218 -1.043 19942 168 1 . 1 1 32 32 SER CA C 32 61.407 61.407 60.930 0.477 19942 169 1 . 1 1 32 32 SER CB C 32 62.779 62.779 62.971 -0.192 19942 170 1 . 1 1 32 32 SER H H 32 9.767 9.767 8.720 1.047 19942 171 1 . 1 1 33 33 ASP N N 33 119.614 119.614 120.327 -0.713 19942 172 1 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.689 0.045 19942 173 1 . 1 1 33 33 ASP C C 33 177.097 177.097 177.118 -0.021 19942 174 1 . 1 1 33 33 ASP CA C 33 52.676 52.676 54.154 -1.478 19942 175 1 . 1 1 33 33 ASP CB C 33 40.521 40.521 40.258 0.263 19942 176 1 . 1 1 33 33 ASP H H 33 7.702 7.702 7.984 -0.282 19942 177 1 . 1 1 34 34 GLY N N 34 108.749 108.749 107.472 1.277 19942 178 1 . 1 1 34 34 GLY C C 34 174.828 174.828 174.534 0.294 19942 179 1 . 1 1 34 34 GLY CA C 34 45.293 45.293 45.519 -0.226 19942 180 1 . 1 1 34 34 GLY H H 34 8.420 8.420 8.448 -0.028 19942 181 1 . 1 1 35 35 THR N N 35 113.544 113.544 116.515 -2.971 19942 182 1 . 1 1 35 35 THR HA H 35 4.297 4.297 4.419 -0.122 19942 183 1 . 1 1 35 35 THR C C 35 173.074 173.074 173.546 -0.472 19942 184 1 . 1 1 35 35 THR CA C 35 62.762 62.762 62.531 0.231 19942 185 1 . 1 1 35 35 THR CB C 35 71.079 71.079 70.029 1.050 19942 186 1 . 1 1 35 35 THR H H 35 7.863 7.863 7.760 0.103 19942 187 1 . 1 1 36 36 LYS N N 36 118.248 118.248 122.834 -4.586 19942 188 1 . 1 1 36 36 LYS HA H 36 5.927 5.927 5.354 0.573 19942 189 1 . 1 1 36 36 LYS C C 36 176.847 176.847 175.396 1.451 19942 190 1 . 1 1 36 36 LYS CA C 36 54.531 54.531 55.113 -0.582 19942 191 1 . 1 1 36 36 LYS CB C 36 36.923 36.923 35.937 0.986 19942 192 1 . 1 1 36 36 LYS H H 36 8.374 8.374 8.479 -0.105 19942 193 1 . 1 1 37 37 ALA N N 37 121.621 121.621 125.036 -3.415 19942 194 1 . 1 1 37 37 ALA HA H 37 4.668 4.668 4.575 0.093 19942 195 1 . 1 1 37 37 ALA C C 37 175.556 175.556 174.706 0.850 19942 196 1 . 1 1 37 37 ALA CA C 37 51.377 51.377 51.781 -0.404 19942 197 1 . 1 1 37 37 ALA CB C 37 23.537 23.537 21.858 1.679 19942 198 1 . 1 1 37 37 ALA H H 37 8.892 8.892 8.493 0.399 19942 199 1 . 1 1 38 38 ASP N N 38 121.602 121.602 121.080 0.522 19942 200 1 . 1 1 38 38 ASP HA H 38 4.860 4.860 4.989 -0.129 19942 201 1 . 1 1 38 38 ASP C C 38 176.487 176.487 176.537 -0.049 19942 202 1 . 1 1 38 38 ASP CA C 38 55.234 55.234 54.151 1.083 19942 203 1 . 1 1 38 38 ASP CB C 38 40.775 40.775 41.142 -0.367 19942 204 1 . 1 1 38 38 ASP H H 38 8.983 8.983 8.503 0.480 19942 205 1 . 1 1 39 39 LEU N N 39 128.342 128.342 125.777 2.565 19942 206 1 . 1 1 39 39 LEU HA H 39 4.861 4.861 4.673 0.188 19942 207 1 . 1 1 39 39 LEU C C 39 177.565 177.565 177.651 -0.086 19942 208 1 . 1 1 39 39 LEU CA C 39 53.590 53.590 54.076 -0.486 19942 209 1 . 1 1 39 39 LEU CB C 39 43.933 43.933 41.646 2.287 19942 210 1 . 1 1 39 39 LEU H H 39 9.218 9.218 8.578 0.640 19942 211 1 . 1 1 40 40 THR N N 40 122.567 122.567 117.020 5.547 19942 212 1 . 1 1 40 40 THR HA H 40 4.526 4.526 4.411 0.115 19942 213 1 . 1 1 40 40 THR C C 40 174.562 174.562 176.333 -1.771 19942 214 1 . 1 1 40 40 THR CA C 40 69.870 69.870 67.881 1.989 19942 215 1 . 1 1 40 40 THR CB C 40 69.268 69.268 68.813 0.455 19942 216 1 . 1 1 40 40 THR H H 40 8.983 8.983 8.751 0.232 19942 217 1 . 1 1 41 41 SER N N 41 109.895 109.895 113.020 -3.125 19942 218 1 . 1 1 41 41 SER HA H 41 4.465 4.465 4.559 -0.094 19942 219 1 . 1 1 41 41 SER C C 41 174.686 174.686 175.145 -0.459 19942 220 1 . 1 1 41 41 SER CA C 41 59.960 59.960 59.974 -0.014 19942 221 1 . 1 1 41 41 SER CB C 41 63.643 63.643 63.127 0.516 19942 222 1 . 1 1 41 41 SER H H 41 8.749 8.749 8.623 0.126 19942 223 1 . 1 1 42 42 SER N N 42 117.037 117.037 117.373 -0.336 19942 224 1 . 1 1 42 42 SER HA H 42 4.706 4.706 4.719 -0.013 19942 225 1 . 1 1 42 42 SER C C 42 175.240 175.240 175.054 0.186 19942 226 1 . 1 1 42 42 SER CA C 42 59.742 59.742 59.192 0.550 19942 227 1 . 1 1 42 42 SER CB C 42 64.724 64.724 64.573 0.151 19942 228 1 . 1 1 42 42 SER H H 42 8.056 8.056 7.974 0.082 19942 229 1 . 1 1 43 43 VAL N N 43 113.914 113.914 118.997 -5.083 19942 230 1 . 1 1 43 43 VAL HA H 43 4.312 4.312 4.801 -0.489 19942 231 1 . 1 1 43 43 VAL C C 43 174.501 174.501 175.129 -0.628 19942 232 1 . 1 1 43 43 VAL CA C 43 61.072 61.072 60.402 0.670 19942 233 1 . 1 1 43 43 VAL CB C 43 32.398 32.398 32.821 -0.423 19942 234 1 . 1 1 43 43 VAL H H 43 7.498 7.498 8.176 -0.678 19942 235 1 . 1 1 44 44 THR N N 44 116.194 116.194 120.801 -4.607 19942 236 1 . 1 1 44 44 THR HA H 44 4.515 4.515 4.739 -0.224 19942 237 1 . 1 1 44 44 THR C C 44 175.110 175.110 173.998 1.112 19942 238 1 . 1 1 44 44 THR CA C 44 62.468 62.468 62.154 0.314 19942 239 1 . 1 1 44 44 THR CB C 44 69.914 69.914 70.203 -0.289 19942 240 1 . 1 1 44 44 THR H H 44 9.020 9.020 8.198 0.822 19942 241 1 . 1 1 45 45 TRP N N 45 133.716 133.716 128.571 5.145 19942 242 1 . 1 1 45 45 TRP HA H 45 5.384 5.384 4.904 0.480 19942 243 1 . 1 1 45 45 TRP C C 45 176.565 176.565 176.232 0.333 19942 244 1 . 1 1 45 45 TRP CA C 45 56.734 56.734 56.542 0.192 19942 245 1 . 1 1 45 45 TRP CB C 45 31.495 31.495 30.672 0.823 19942 246 1 . 1 1 45 45 TRP H H 45 9.667 9.667 8.838 0.829 19942 247 1 . 1 1 46 46 SER N N 46 117.142 117.142 117.793 -0.651 19942 248 1 . 1 1 46 46 SER HA H 46 4.620 4.620 4.837 -0.217 19942 249 1 . 1 1 46 46 SER C C 46 171.333 171.333 172.623 -1.290 19942 250 1 . 1 1 46 46 SER CA C 46 58.013 58.013 57.374 0.639 19942 251 1 . 1 1 46 46 SER CB C 46 65.605 65.605 66.196 -0.591 19942 252 1 . 1 1 46 46 SER H H 46 10.001 10.001 8.373 1.629 19942 253 1 . 1 1 47 47 SER N N 47 112.791 112.791 116.503 -3.712 19942 254 1 . 1 1 47 47 SER HA H 47 5.530 5.530 5.308 0.222 19942 255 1 . 1 1 47 47 SER C C 47 176.141 176.141 175.413 0.728 19942 256 1 . 1 1 47 47 SER CA C 47 53.591 53.591 55.996 -2.405 19942 257 1 . 1 1 47 47 SER CB C 47 66.167 66.167 65.554 0.613 19942 258 1 . 1 1 47 47 SER H H 47 8.594 8.594 8.448 0.146 19942 259 1 . 1 1 48 48 SER N N 48 122.562 122.562 119.592 2.970 19942 260 1 . 1 1 48 48 SER HA H 48 4.289 4.289 4.340 -0.051 19942 261 1 . 1 1 48 48 SER C C 48 174.767 174.767 175.825 -1.058 19942 262 1 . 1 1 48 48 SER CA C 48 60.419 60.419 60.523 -0.104 19942 263 1 . 1 1 48 48 SER CB C 48 62.630 62.630 63.482 -0.852 19942 264 1 . 1 1 48 48 SER H H 48 9.685 9.685 8.463 1.222 19942 265 1 . 1 1 49 49 ASN N N 49 118.253 118.253 121.971 -3.718 19942 266 1 . 1 1 49 49 ASN HA H 49 4.733 4.733 4.736 -0.003 19942 267 1 . 1 1 49 49 ASN C C 49 175.845 175.845 174.893 0.952 19942 268 1 . 1 1 49 49 ASN CA C 49 53.566 53.566 53.103 0.463 19942 269 1 . 1 1 49 49 ASN CB C 49 38.084 38.084 37.161 0.923 19942 270 1 . 1 1 49 49 ASN H H 49 8.006 8.006 7.830 0.176 19942 271 1 . 1 1 50 50 GLN HA H 50 4.544 4.544 4.355 0.189 19942 272 1 . 1 1 50 50 GLN C C 50 175.944 175.944 177.503 -1.559 19942 273 1 . 1 1 50 50 GLN CA C 50 57.462 57.462 58.308 -0.846 19942 274 1 . 1 1 50 50 GLN CB C 50 28.913 28.913 29.025 -0.112 19942 275 1 . 1 1 51 51 SER N N 51 113.229 113.229 114.059 -0.830 19942 276 1 . 1 1 51 51 SER HA H 51 4.302 4.302 4.305 -0.003 19942 277 1 . 1 1 51 51 SER C C 51 173.524 173.524 175.502 -1.978 19942 278 1 . 1 1 51 51 SER CA C 51 59.973 59.973 60.748 -0.775 19942 279 1 . 1 1 51 51 SER CB C 51 62.832 62.832 63.238 -0.406 19942 280 1 . 1 1 51 51 SER H H 51 8.205 8.205 8.520 -0.315 19942 281 1 . 1 1 52 52 GLN N N 52 116.510 116.510 118.365 -1.855 19942 282 1 . 1 1 52 52 GLN HA H 52 4.558 4.558 4.472 0.086 19942 283 1 . 1 1 52 52 GLN C C 52 176.697 176.697 173.946 2.751 19942 284 1 . 1 1 52 52 GLN CA C 52 56.116 56.116 55.639 0.477 19942 285 1 . 1 1 52 52 GLN CB C 52 29.584 29.584 29.553 0.031 19942 286 1 . 1 1 52 52 GLN H H 52 7.277 7.277 8.241 -0.964 19942 287 1 . 1 1 53 53 ALA N N 53 119.325 119.325 119.208 0.117 19942 288 1 . 1 1 53 53 ALA HA H 53 4.908 4.908 4.631 0.277 19942 289 1 . 1 1 53 53 ALA C C 53 174.225 174.225 174.956 -0.731 19942 290 1 . 1 1 53 53 ALA CA C 53 52.378 52.378 51.745 0.633 19942 291 1 . 1 1 53 53 ALA CB C 53 22.096 22.096 22.189 -0.093 19942 292 1 . 1 1 53 53 ALA H H 53 8.150 8.150 7.266 0.884 19942 293 1 . 1 1 54 54 LYS N N 54 120.764 120.764 120.490 0.274 19942 294 1 . 1 1 54 54 LYS HA H 54 4.909 4.909 4.820 0.089 19942 295 1 . 1 1 54 54 LYS C C 54 173.892 173.892 174.603 -0.711 19942 296 1 . 1 1 54 54 LYS CA C 54 53.762 53.762 55.167 -1.406 19942 297 1 . 1 1 54 54 LYS CB C 54 36.108 36.108 36.603 -0.494 19942 298 1 . 1 1 54 54 LYS H H 54 8.397 8.397 8.010 0.387 19942 299 1 . 1 1 55 55 VAL N N 55 118.409 118.409 123.967 -5.558 19942 300 1 . 1 1 55 55 VAL HA H 55 4.933 4.933 4.437 0.496 19942 301 1 . 1 1 55 55 VAL C C 55 172.770 172.770 175.077 -2.307 19942 302 1 . 1 1 55 55 VAL CA C 55 58.070 58.070 61.275 -3.205 19942 303 1 . 1 1 55 55 VAL CB C 55 34.874 34.874 32.615 2.259 19942 304 1 . 1 1 55 55 VAL H H 55 8.748 8.748 8.574 0.174 19942 305 1 . 1 1 56 56 SER N N 56 119.976 119.976 124.855 -4.879 19942 306 1 . 1 1 56 56 SER HA H 56 4.364 4.364 4.716 -0.351 19942 307 1 . 1 1 56 56 SER C C 56 174.635 174.635 172.970 1.665 19942 308 1 . 1 1 56 56 SER CA C 56 57.399 57.399 57.768 -0.369 19942 309 1 . 1 1 56 56 SER CB C 56 63.633 63.633 64.226 -0.593 19942 310 1 . 1 1 56 56 SER H H 56 7.851 7.851 8.470 -0.619 19942 311 1 . 1 1 57 57 ASN N N 57 124.627 124.627 123.332 1.295 19942 312 1 . 1 1 57 57 ASN HA H 57 5.257 5.257 4.900 0.357 19942 313 1 . 1 1 57 57 ASN C C 57 174.450 174.450 174.257 0.193 19942 314 1 . 1 1 57 57 ASN CA C 57 53.388 53.388 52.349 1.039 19942 315 1 . 1 1 57 57 ASN CB C 57 41.530 41.530 40.070 1.460 19942 316 1 . 1 1 57 57 ASN H H 57 9.190 9.190 8.348 0.842 19942 317 1 . 1 1 58 58 ALA N N 58 127.007 127.007 125.301 1.706 19942 318 1 . 1 1 58 58 ALA HA H 58 4.338 4.338 4.566 -0.228 19942 319 1 . 1 1 58 58 ALA C C 58 178.628 178.628 178.240 0.388 19942 320 1 . 1 1 58 58 ALA CA C 58 52.228 52.228 51.248 0.980 19942 321 1 . 1 1 58 58 ALA CB C 58 18.910 18.910 20.181 -1.272 19942 322 1 . 1 1 58 58 ALA H H 58 8.121 8.121 8.571 -0.450 19942 323 1 . 1 1 59 59 SER N N 59 116.407 116.407 114.055 2.352 19942 324 1 . 1 1 59 59 SER HA H 59 4.888 4.888 4.228 0.660 19942 325 1 . 1 1 59 59 SER C C 59 176.729 176.729 176.258 0.471 19942 326 1 . 1 1 59 59 SER CA C 59 62.500 62.500 61.294 1.206 19942 327 1 . 1 1 59 59 SER CB C 59 63.113 63.113 63.088 0.025 19942 328 1 . 1 1 59 59 SER H H 59 8.767 8.767 8.671 0.096 19942 329 1 . 1 1 60 60 GLU N N 60 117.093 117.093 119.062 -1.969 19942 330 1 . 1 1 60 60 GLU HA H 60 4.232 4.232 4.332 -0.100 19942 331 1 . 1 1 60 60 GLU C C 60 177.467 177.467 177.226 0.241 19942 332 1 . 1 1 60 60 GLU CA C 60 58.716 58.716 57.862 0.853 19942 333 1 . 1 1 60 60 GLU CB C 60 29.611 29.611 29.741 -0.130 19942 334 1 . 1 1 60 60 GLU H H 60 9.190 9.190 8.619 0.571 19942 335 1 . 1 1 61 61 THR N N 61 107.270 107.270 108.270 -1.000 19942 336 1 . 1 1 61 61 THR HA H 61 4.820 4.820 4.444 0.376 19942 337 1 . 1 1 61 61 THR C C 61 173.068 173.068 174.411 -1.343 19942 338 1 . 1 1 61 61 THR CA C 61 59.191 59.191 60.671 -1.480 19942 339 1 . 1 1 61 61 THR CB C 61 69.219 69.219 69.213 0.006 19942 340 1 . 1 1 61 61 THR H H 61 7.369 7.369 7.528 -0.159 19942 341 1 . 1 1 62 62 LYS N N 62 122.917 122.917 123.148 -0.231 19942 342 1 . 1 1 62 62 LYS HA H 62 3.686 3.686 4.150 -0.464 19942 343 1 . 1 1 62 62 LYS C C 62 178.225 178.225 176.925 1.300 19942 344 1 . 1 1 62 62 LYS CA C 62 58.121 58.121 57.971 0.150 19942 345 1 . 1 1 62 62 LYS CB C 62 33.290 33.290 32.459 0.831 19942 346 1 . 1 1 62 62 LYS H H 62 6.924 6.924 7.442 -0.518 19942 347 1 . 1 1 63 63 GLY N N 63 111.784 111.784 109.857 1.927 19942 348 1 . 1 1 63 63 GLY C C 63 171.831 171.831 172.285 -0.454 19942 349 1 . 1 1 63 63 GLY CA C 63 44.355 44.355 44.337 0.017 19942 350 1 . 1 1 63 63 GLY H H 63 7.966 7.966 8.600 -0.634 19942 351 1 . 1 1 64 64 LEU N N 64 120.854 120.854 120.737 0.117 19942 352 1 . 1 1 64 64 LEU HA H 64 4.060 4.060 4.351 -0.291 19942 353 1 . 1 1 64 64 LEU C C 64 176.666 176.666 174.312 2.354 19942 354 1 . 1 1 64 64 LEU CA C 64 55.563 55.563 53.692 1.871 19942 355 1 . 1 1 64 64 LEU CB C 64 43.073 43.073 44.030 -0.957 19942 356 1 . 1 1 64 64 LEU H H 64 7.785 7.785 7.654 0.131 19942 357 1 . 1 1 65 65 VAL N N 65 135.184 135.184 126.340 8.844 19942 358 1 . 1 1 65 65 VAL HA H 65 4.636 4.636 4.392 0.244 19942 359 1 . 1 1 65 65 VAL C C 65 174.956 174.956 174.555 0.401 19942 360 1 . 1 1 65 65 VAL CA C 65 61.323 61.323 60.988 0.335 19942 361 1 . 1 1 65 65 VAL CB C 65 32.996 32.996 35.750 -2.754 19942 362 1 . 1 1 65 65 VAL H H 65 8.973 8.973 7.881 1.092 19942 363 1 . 1 1 66 66 THR N N 66 121.955 121.955 121.994 -0.039 19942 364 1 . 1 1 66 66 THR HA H 66 4.774 4.774 4.624 0.150 19942 365 1 . 1 1 66 66 THR C C 66 174.266 174.266 173.566 0.700 19942 366 1 . 1 1 66 66 THR CA C 66 61.225 61.225 61.357 -0.132 19942 367 1 . 1 1 66 66 THR CB C 66 71.190 71.190 70.426 0.764 19942 368 1 . 1 1 66 66 THR H H 66 8.947 8.947 8.219 0.728 19942 369 1 . 1 1 67 67 GLY N N 67 114.304 114.304 114.016 0.288 19942 370 1 . 1 1 67 67 GLY C C 67 172.326 172.326 174.175 -1.849 19942 371 1 . 1 1 67 67 GLY CA C 67 46.232 46.232 43.911 2.321 19942 372 1 . 1 1 67 67 GLY H H 67 9.201 9.201 8.252 0.949 19942 373 1 . 1 1 68 68 ILE N N 68 126.492 126.492 125.437 1.055 19942 374 1 . 1 1 68 68 ILE HA H 68 4.123 4.123 3.971 0.152 19942 375 1 . 1 1 68 68 ILE C C 68 175.021 175.021 175.874 -0.853 19942 376 1 . 1 1 68 68 ILE CA C 68 61.608 61.608 63.122 -1.514 19942 377 1 . 1 1 68 68 ILE CB C 68 39.154 39.154 38.494 0.660 19942 378 1 . 1 1 68 68 ILE H H 68 8.927 8.927 8.242 0.685 19942 379 1 . 1 1 69 69 ALA N N 69 122.378 122.378 119.212 3.166 19942 380 1 . 1 1 69 69 ALA HA H 69 4.395 4.395 4.477 -0.082 19942 381 1 . 1 1 69 69 ALA C C 69 174.111 174.111 175.392 -1.281 19942 382 1 . 1 1 69 69 ALA CA C 69 51.859 51.859 52.394 -0.535 19942 383 1 . 1 1 69 69 ALA CB C 69 22.057 22.057 20.083 1.974 19942 384 1 . 1 1 69 69 ALA H H 69 8.413 8.413 7.538 0.875 19942 385 1 . 1 1 70 70 SER N N 70 110.668 110.668 117.207 -6.539 19942 386 1 . 1 1 70 70 SER HA H 70 4.013 4.013 4.572 -0.559 19942 387 1 . 1 1 70 70 SER C C 70 174.180 174.180 173.919 0.261 19942 388 1 . 1 1 70 70 SER CA C 70 58.620 58.620 57.575 1.045 19942 389 1 . 1 1 70 70 SER CB C 70 64.114 64.114 64.670 -0.557 19942 390 1 . 1 1 70 70 SER H H 70 8.109 8.109 7.930 0.179 19942 391 1 . 1 1 71 71 GLY N N 71 108.506 108.506 108.451 0.055 19942 392 1 . 1 1 71 71 GLY C C 71 170.868 170.868 173.332 -2.464 19942 393 1 . 1 1 71 71 GLY CA C 71 44.343 44.343 45.442 -1.099 19942 394 1 . 1 1 71 71 GLY H H 71 8.055 8.055 8.743 -0.688 19942 395 1 . 1 1 72 72 ASN N N 72 116.234 116.234 118.682 -2.448 19942 396 1 . 1 1 72 72 ASN HA H 72 4.892 4.892 5.389 -0.497 19942 397 1 . 1 1 72 72 ASN C C 72 171.109 171.109 172.938 -1.829 19942 398 1 . 1 1 72 72 ASN CA C 72 51.409 51.409 51.228 0.181 19942 399 1 . 1 1 72 72 ASN CB C 72 39.972 39.972 40.711 -0.739 19942 400 1 . 1 1 72 72 ASN H H 72 8.238 8.238 8.232 0.006 19942 401 1 . 1 1 73 73 PRO C C 73 173.522 173.522 175.811 -2.289 19942 402 1 . 1 1 73 73 PRO CA C 73 63.322 63.322 62.583 0.739 19942 403 1 . 1 1 73 73 PRO CB C 73 32.053 32.053 33.017 -0.964 19942 404 1 . 1 1 74 74 THR N N 74 115.192 115.192 117.684 -2.492 19942 405 1 . 1 1 74 74 THR HA H 74 4.399 4.399 4.678 -0.280 19942 406 1 . 1 1 74 74 THR C C 74 173.467 173.467 173.476 -0.009 19942 407 1 . 1 1 74 74 THR CA C 74 61.852 61.852 62.164 -0.312 19942 408 1 . 1 1 74 74 THR CB C 74 70.609 70.609 70.824 -0.215 19942 409 1 . 1 1 74 74 THR H H 74 8.775 8.775 8.110 0.665 19942 410 1 . 1 1 75 75 ILE HA H 75 4.883 4.883 4.897 -0.014 19942 411 1 . 1 1 75 75 ILE CA C 75 61.787 61.787 58.955 2.832 19942 412 1 . 1 1 75 75 ILE CB C 75 36.867 36.867 38.336 -1.469 19942 413 1 . 1 1 76 76 ILE N N 76 126.694 126.694 127.657 -0.963 19942 414 1 . 1 1 76 76 ILE HA H 76 4.675 4.675 4.488 0.187 19942 415 1 . 1 1 76 76 ILE C C 76 173.870 173.870 174.410 -0.540 19942 416 1 . 1 1 76 76 ILE CA C 76 60.543 60.543 59.676 0.867 19942 417 1 . 1 1 76 76 ILE CB C 76 40.920 40.920 39.972 0.948 19942 418 1 . 1 1 76 76 ILE H H 76 8.982 8.982 8.363 0.619 19942 419 1 . 1 1 77 77 ALA N N 77 126.455 126.455 130.619 -4.164 19942 420 1 . 1 1 77 77 ALA HA H 77 4.499 4.499 4.947 -0.448 19942 421 1 . 1 1 77 77 ALA C C 77 175.857 175.857 176.090 -0.233 19942 422 1 . 1 1 77 77 ALA CA C 77 49.793 49.793 49.696 0.097 19942 423 1 . 1 1 77 77 ALA CB C 77 21.672 21.672 21.118 0.554 19942 424 1 . 1 1 77 77 ALA H H 77 8.431 8.431 8.724 -0.293 19942 425 1 . 1 1 78 78 THR N N 78 116.767 116.767 120.988 -4.221 19942 426 1 . 1 1 78 78 THR HA H 78 4.849 4.849 4.569 0.280 19942 427 1 . 1 1 78 78 THR C C 78 173.211 173.211 172.566 0.645 19942 428 1 . 1 1 78 78 THR CA C 78 61.343 61.343 61.885 -0.542 19942 429 1 . 1 1 78 78 THR CB C 78 71.627 71.627 70.858 0.769 19942 430 1 . 1 1 78 78 THR H H 78 8.135 8.135 8.207 -0.072 19942 431 1 . 1 1 79 79 TYR N N 79 127.950 127.950 128.936 -0.986 19942 432 1 . 1 1 79 79 TYR HA H 79 4.629 4.629 4.719 -0.090 19942 433 1 . 1 1 79 79 TYR C C 79 174.921 174.921 175.061 -0.140 19942 434 1 . 1 1 79 79 TYR CA C 79 57.506 57.506 56.665 0.841 19942 435 1 . 1 1 79 79 TYR CB C 79 40.572 40.572 40.212 0.360 19942 436 1 . 1 1 79 79 TYR H H 79 9.136 9.136 8.882 0.254 19942 437 1 . 1 1 80 80 GLY N N 80 118.393 118.393 116.339 2.054 19942 438 1 . 1 1 80 80 GLY C C 80 174.902 174.902 174.484 0.418 19942 439 1 . 1 1 80 80 GLY CA C 80 46.869 46.869 46.255 0.614 19942 440 1 . 1 1 80 80 GLY H H 80 8.786 8.786 8.213 0.573 19942 441 1 . 1 1 81 81 SER N N 81 113.872 113.872 118.914 -5.042 19942 442 1 . 1 1 81 81 SER HA H 81 4.348 4.348 4.513 -0.165 19942 443 1 . 1 1 81 81 SER C C 81 173.279 173.279 173.993 -0.714 19942 444 1 . 1 1 81 81 SER CA C 81 58.658 58.658 58.712 -0.054 19942 445 1 . 1 1 81 81 SER CB C 81 63.490 63.490 63.852 -0.362 19942 446 1 . 1 1 81 81 SER H H 81 7.878 7.878 8.309 -0.431 19942 447 1 . 1 1 82 82 VAL N N 82 124.320 124.320 123.822 0.498 19942 448 1 . 1 1 82 82 VAL HA H 82 4.249 4.249 4.336 -0.087 19942 449 1 . 1 1 82 82 VAL C C 82 173.455 173.455 173.977 -0.522 19942 450 1 . 1 1 82 82 VAL CA C 82 61.652 61.652 61.749 -0.097 19942 451 1 . 1 1 82 82 VAL CB C 82 33.466 33.466 34.662 -1.196 19942 452 1 . 1 1 82 82 VAL H H 82 7.845 7.845 7.781 0.064 19942 453 1 . 1 1 83 83 SER N N 83 119.056 119.056 120.761 -1.704 19942 454 1 . 1 1 83 83 SER HA H 83 5.507 5.507 5.063 0.444 19942 455 1 . 1 1 83 83 SER C C 83 173.841 173.841 173.383 0.458 19942 456 1 . 1 1 83 83 SER CA C 83 56.624 56.624 56.712 -0.088 19942 457 1 . 1 1 83 83 SER CB C 83 66.733 66.733 66.644 0.089 19942 458 1 . 1 1 83 83 SER H H 83 8.549 8.549 8.417 0.132 19942 459 1 . 1 1 84 84 GLY N N 84 111.431 111.431 108.783 2.648 19942 460 1 . 1 1 84 84 GLY C C 84 171.253 171.253 172.274 -1.021 19942 461 1 . 1 1 84 84 GLY CA C 84 44.283 44.283 44.357 -0.074 19942 462 1 . 1 1 84 84 GLY H H 84 8.957 8.957 8.674 0.283 19942 463 1 . 1 1 85 85 ASN N N 85 114.909 114.909 120.178 -5.269 19942 464 1 . 1 1 85 85 ASN HA H 85 5.899 5.899 5.238 0.661 19942 465 1 . 1 1 85 85 ASN C C 85 174.553 174.553 174.705 -0.152 19942 466 1 . 1 1 85 85 ASN CA C 85 52.794 52.794 52.292 0.502 19942 467 1 . 1 1 85 85 ASN CB C 85 43.146 43.146 41.496 1.650 19942 468 1 . 1 1 85 85 ASN H H 85 8.752 8.752 8.479 0.273 19942 469 1 . 1 1 86 86 THR N N 86 114.501 114.501 115.573 -1.072 19942 470 1 . 1 1 86 86 THR HA H 86 4.677 4.677 4.652 0.025 19942 471 1 . 1 1 86 86 THR C C 86 170.890 170.890 173.147 -2.257 19942 472 1 . 1 1 86 86 THR CA C 86 61.715 61.715 60.785 0.930 19942 473 1 . 1 1 86 86 THR CB C 86 70.636 70.636 70.889 -0.253 19942 474 1 . 1 1 86 86 THR H H 86 8.922 8.922 8.366 0.556 19942 475 1 . 1 1 87 87 ILE N N 87 125.857 125.857 122.749 3.108 19942 476 1 . 1 1 87 87 ILE HA H 87 4.542 4.542 4.213 0.329 19942 477 1 . 1 1 87 87 ILE C C 87 175.495 175.495 175.010 0.485 19942 478 1 . 1 1 87 87 ILE CA C 87 61.243 61.243 60.218 1.025 19942 479 1 . 1 1 87 87 ILE CB C 87 39.423 39.423 38.458 0.965 19942 480 1 . 1 1 87 87 ILE H H 87 8.020 8.020 8.315 -0.295 19942 481 1 . 1 1 88 88 LEU N N 88 129.304 129.304 129.658 -0.354 19942 482 1 . 1 1 88 88 LEU HA H 88 4.683 4.683 4.769 -0.086 19942 483 1 . 1 1 88 88 LEU C C 88 174.979 174.979 175.437 -0.458 19942 484 1 . 1 1 88 88 LEU CA C 88 53.738 53.738 53.637 0.101 19942 485 1 . 1 1 88 88 LEU CB C 88 45.636 45.636 44.992 0.644 19942 486 1 . 1 1 88 88 LEU H H 88 8.797 8.797 8.246 0.551 19942 487 1 . 1 1 89 89 THR N N 89 117.751 117.751 119.912 -2.161 19942 488 1 . 1 1 89 89 THR HA H 89 4.749 4.749 4.612 0.136 19942 489 1 . 1 1 89 89 THR C C 89 173.269 173.269 173.390 -0.121 19942 490 1 . 1 1 89 89 THR CA C 89 62.794 62.794 61.528 1.266 19942 491 1 . 1 1 89 89 THR CB C 89 70.202 70.202 71.065 -0.863 19942 492 1 . 1 1 89 89 THR H H 89 7.882 7.882 8.701 -0.819 19942 493 1 . 1 1 90 90 VAL N N 90 127.485 127.485 125.795 1.690 19942 494 1 . 1 1 90 90 VAL HA H 90 4.837 4.837 4.081 0.756 19942 495 1 . 1 1 90 90 VAL C C 90 176.460 176.460 174.713 1.747 19942 496 1 . 1 1 90 90 VAL CA C 90 60.411 60.411 62.436 -2.025 19942 497 1 . 1 1 90 90 VAL CB C 90 31.659 31.659 31.281 0.378 19942 498 1 . 1 1 90 90 VAL H H 90 9.139 9.139 8.322 0.817 19942 499 1 . 1 1 91 91 ASN N N 91 126.674 126.674 126.276 0.398 19942 500 1 . 1 1 91 91 ASN HA H 91 4.839 4.839 4.893 -0.054 19942 501 1 . 1 1 91 91 ASN C C 91 174.311 174.311 173.737 0.574 19942 502 1 . 1 1 91 91 ASN CA C 91 52.779 52.779 51.739 1.039 19942 503 1 . 1 1 91 91 ASN CB C 91 40.777 40.777 41.887 -1.110 19942 504 1 . 1 1 91 91 ASN H H 91 8.992 8.992 8.256 0.736 19942 505 1 . 1 1 92 92 LYS N N 92 122.622 122.622 123.116 -0.494 19942 506 1 . 1 1 92 92 LYS HA H 92 4.418 4.418 4.522 -0.104 19942 507 1 . 1 1 92 92 LYS C C 92 176.757 176.757 176.915 -0.158 19942 508 1 . 1 1 92 92 LYS CA C 92 56.470 56.470 56.186 0.284 19942 509 1 . 1 1 92 92 LYS CB C 92 33.302 33.302 33.124 0.178 19942 510 1 . 1 1 92 92 LYS H H 92 8.556 8.556 8.489 0.067 19942 511 1 . 1 1 93 93 THR N N 93 119.358 119.358 117.203 2.155 19942 512 1 . 1 1 93 93 THR HA H 93 4.315 4.315 4.245 0.070 19942 513 1 . 1 1 93 93 THR C C 93 174.018 174.018 174.589 -0.571 19942 514 1 . 1 1 93 93 THR CA C 93 62.060 62.060 63.478 -1.418 19942 515 1 . 1 1 93 93 THR CB C 93 69.715 69.715 69.267 0.447 19942 516 1 . 1 1 93 93 THR H H 93 8.439 8.439 8.547 -0.108 19942 517 1 . 1 1 94 94 ASP N N 94 124.142 124.142 121.943 2.199 19942 518 1 . 1 1 94 94 ASP HA H 94 4.665 4.665 4.627 0.038 19942 519 1 . 1 1 94 94 ASP C C 94 175.464 175.464 175.917 -0.453 19942 520 1 . 1 1 94 94 ASP CA C 94 54.515 54.515 54.518 -0.003 19942 521 1 . 1 1 94 94 ASP CB C 94 41.117 41.117 40.627 0.490 19942 522 1 . 1 1 94 94 ASP H H 94 8.583 8.583 8.375 0.208 19942 stop_ save_